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/33-VP2-O-444a37e3/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/33-VP2-O-444a37e3/inputs/seq.fa: 1
curr_seq: _UACGAUAUCCGGAUUCAGGAGUUUGU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UACGAUAUCCGGAUUCAGGAGUUUGU
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 26 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: 135
n_atoms_counter: 135
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 26.000000 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/33-VP2-O-444a37e3/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/33-VP2-O-444a37e3/inputs/seq.fa: 1
curr_seq: _UACGAUAUCCGGAUUCAGGAGUUUGU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UACGAUAUCCGGAUUCAGGAGUUUGU
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 26 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: 135
n_atoms_counter: 135
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 26.000000 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/33-VP2-O-444a37e3/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/33-VP2-O-444a37e3/inputs/seq.fa: 1
curr_seq: _UACGAUAUCCGGAUUCAGGAGUUUGU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UACGAUAUCCGGAUUCAGGAGUUUGU
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 26 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: 135
n_atoms_counter: 135
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 26.000000 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/33-VP2-O-444a37e3/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/33-VP2-O-444a37e3/inputs/seq.fa: 1
curr_seq: _UACGAUAUCCGGAUUCAGGAGUUUGU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UACGAUAUCCGGAUUCAGGAGUUUGU
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 26 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: 135
n_atoms_counter: 135
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 26.000000 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/33-VP2-O-444a37e3/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/33-VP2-O-444a37e3/inputs/seq.fa: 1
curr_seq: _UACGAUAUCCGGAUUCAGGAGUUUGU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UACGAUAUCCGGAUUCAGGAGUUUGU
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 26 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: 135
n_atoms_counter: 135
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 26.000000 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/33-VP2-O-444a37e3/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/33-VP2-O-444a37e3/inputs/seq.fa: 1
curr_seq: _UACGAUAUCCGGAUUCAGGAGUUUGU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UACGAUAUCCGGAUUCAGGAGUUUGU
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 26 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: 135
n_atoms_counter: 135
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 26.000000 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/33-VP2-O-444a37e3/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/33-VP2-O-444a37e3/inputs/seq.fa: 1
curr_seq: _UACGAUAUCCGGAUUCAGGAGUUUGU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UACGAUAUCCGGAUUCAGGAGUUUGU
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 26 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: 135
n_atoms_counter: 135
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 26.000000 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/33-VP2-O-444a37e3/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/33-VP2-O-444a37e3/inputs/seq.fa: 1
curr_seq: _UACGAUAUCCGGAUUCAGGAGUUUGU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UACGAUAUCCGGAUUCAGGAGUUUGU
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 26 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: 135
n_atoms_counter: 135
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 26.000000 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/33-VP2-O-444a37e3/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/33-VP2-O-444a37e3/inputs/seq.fa: 1
curr_seq: _UACGAUAUCCGGAUUCAGGAGUUUGU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UACGAUAUCCGGAUUCAGGAGUUUGU
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 26 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: 135
n_atoms_counter: 135
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 26.000000 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/33-VP2-O-444a37e3/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/33-VP2-O-444a37e3/inputs/seq.fa: 1
curr_seq: _UACGAUAUCCGGAUUCAGGAGUUUGU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: UACGAUAUCCGGAUUCAGGAGUUUGU
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 26 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: 135
n_atoms_counter: 135
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 26.000000 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: -99.894266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.894266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.894266 (E_RNA)
where:
Base-Base interactions energy: -3.250
where: short stacking energy: -3.250
Base-Backbone interact. energy: -0.000
local terms energy: -96.644301
where:
bonds (distance) C4'-P energy: -25.261
bonds (distance) P-C4' energy: -24.156
flat angles C4'-P-C4' energy: -19.090
flat angles P-C4'-P energy: -21.837
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: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -99.894266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.894266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.894266 (E_RNA)
where:
Base-Base interactions energy: -3.250
where: short stacking energy: -3.250
Base-Backbone interact. energy: -0.000
local terms energy: -96.644301
where:
bonds (distance) C4'-P energy: -25.261
bonds (distance) P-C4' energy: -24.156
flat angles C4'-P-C4' energy: -19.090
flat angles P-C4'-P energy: -21.837
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: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -99.894266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.894266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.894266 (E_RNA)
where:
Base-Base interactions energy: -3.250
where: short stacking energy: -3.250
Base-Backbone interact. energy: -0.000
local terms energy: -96.644301
where:
bonds (distance) C4'-P energy: -25.261
bonds (distance) P-C4' energy: -24.156
flat angles C4'-P-C4' energy: -19.090
flat angles P-C4'-P energy: -21.837
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: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -99.894266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.894266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.894266 (E_RNA)
where:
Base-Base interactions energy: -3.250
where: short stacking energy: -3.250
Base-Backbone interact. energy: -0.000
local terms energy: -96.644301
where:
bonds (distance) C4'-P energy: -25.261
bonds (distance) P-C4' energy: -24.156
flat angles C4'-P-C4' energy: -19.090
flat angles P-C4'-P energy: -21.837
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: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -99.894266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.894266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.894266 (E_RNA)
where:
Base-Base interactions energy: -3.250
where: short stacking energy: -3.250
Base-Backbone interact. energy: -0.000
local terms energy: -96.644301
where:
bonds (distance) C4'-P energy: -25.261
bonds (distance) P-C4' energy: -24.156
flat angles C4'-P-C4' energy: -19.090
flat angles P-C4'-P energy: -21.837
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: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -99.894266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.894266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.894266 (E_RNA)
where:
Base-Base interactions energy: -3.250
where: short stacking energy: -3.250
Base-Backbone interact. energy: -0.000
local terms energy: -96.644301
where:
bonds (distance) C4'-P energy: -25.261
bonds (distance) P-C4' energy: -24.156
flat angles C4'-P-C4' energy: -19.090
flat angles P-C4'-P energy: -21.837
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: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -99.894266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.894266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.894266 (E_RNA)
where:
Base-Base interactions energy: -3.250
where: short stacking energy: -3.250
Base-Backbone interact. energy: -0.000
local terms energy: -96.644301
where:
bonds (distance) C4'-P energy: -25.261
bonds (distance) P-C4' energy: -24.156
flat angles C4'-P-C4' energy: -19.090
flat angles P-C4'-P energy: -21.837
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: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -99.894266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.894266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.894266 (E_RNA)
where:
Base-Base interactions energy: -3.250
where: short stacking energy: -3.250
Base-Backbone interact. energy: -0.000
local terms energy: -96.644301
where:
bonds (distance) C4'-P energy: -25.261
bonds (distance) P-C4' energy: -24.156
flat angles C4'-P-C4' energy: -19.090
flat angles P-C4'-P energy: -21.837
tors. eta vs tors. theta energy: -6.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -99.894266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.894266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.894266 (E_RNA)
where:
Base-Base interactions energy: -3.250
where: short stacking energy: -3.250
Base-Backbone interact. energy: -0.000
local terms energy: -96.644301
where:
bonds (distance) C4'-P energy: -25.261
bonds (distance) P-C4' energy: -24.156
flat angles C4'-P-C4' energy: -19.090
flat angles P-C4'-P energy: -21.837
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: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -99.894266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.894266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.894266 (E_RNA)
where:
Base-Base interactions energy: -3.250
where: short stacking energy: -3.250
Base-Backbone interact. energy: -0.000
local terms energy: -96.644301
where:
bonds (distance) C4'-P energy: -25.261
bonds (distance) P-C4' energy: -24.156
flat angles C4'-P-C4' energy: -19.090
flat angles P-C4'-P energy: -21.837
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: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -161.909008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.909008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.909008 (E_RNA)
where:
Base-Base interactions energy: -78.726
where: short stacking energy: -73.424
Base-Backbone interact. energy: -0.102
local terms energy: -83.081299
where:
bonds (distance) C4'-P energy: -17.372
bonds (distance) P-C4' energy: -21.969
flat angles C4'-P-C4' energy: -16.228
flat angles P-C4'-P energy: -8.183
tors. eta vs tors. theta energy: -19.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -169.453182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.453182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.453182 (E_RNA)
where:
Base-Base interactions energy: -86.529
where: short stacking energy: -50.313
Base-Backbone interact. energy: -0.429
local terms energy: -82.495885
where:
bonds (distance) C4'-P energy: -18.364
bonds (distance) P-C4' energy: -18.875
flat angles C4'-P-C4' energy: -19.579
flat angles P-C4'-P energy: -13.947
tors. eta vs tors. theta energy: -11.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -160.182433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.182433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.182433 (E_RNA)
where:
Base-Base interactions energy: -81.752
where: short stacking energy: -48.910
Base-Backbone interact. energy: 0.346
local terms energy: -78.775993
where:
bonds (distance) C4'-P energy: -17.458
bonds (distance) P-C4' energy: -18.616
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -12.840
tors. eta vs tors. theta energy: -13.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -138.724980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.724980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.724980 (E_RNA)
where:
Base-Base interactions energy: -59.034
where: short stacking energy: -58.374
Base-Backbone interact. energy: -0.078
local terms energy: -79.612368
where:
bonds (distance) C4'-P energy: -17.786
bonds (distance) P-C4' energy: -18.353
flat angles C4'-P-C4' energy: -17.875
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -15.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -146.128952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.128952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.128952 (E_RNA)
where:
Base-Base interactions energy: -73.723
where: short stacking energy: -40.939
Base-Backbone interact. energy: -0.794
local terms energy: -71.612152
where:
bonds (distance) C4'-P energy: -16.571
bonds (distance) P-C4' energy: -19.170
flat angles C4'-P-C4' energy: -18.736
flat angles P-C4'-P energy: -10.760
tors. eta vs tors. theta energy: -6.374
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: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -108.415036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.415036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.415036 (E_RNA)
where:
Base-Base interactions energy: -39.197
where: short stacking energy: -39.197
Base-Backbone interact. energy: 1.441
local terms energy: -70.658568
where:
bonds (distance) C4'-P energy: -19.272
bonds (distance) P-C4' energy: -18.213
flat angles C4'-P-C4' energy: -17.027
flat angles P-C4'-P energy: -10.633
tors. eta vs tors. theta energy: -5.515
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: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -113.637869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.637869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.637869 (E_RNA)
where:
Base-Base interactions energy: -48.935
where: short stacking energy: -33.884
Base-Backbone interact. energy: -0.248
local terms energy: -64.455080
where:
bonds (distance) C4'-P energy: -18.548
bonds (distance) P-C4' energy: -20.228
flat angles C4'-P-C4' energy: -15.171
flat angles P-C4'-P energy: -7.745
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: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -110.698925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.698925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.698925 (E_RNA)
where:
Base-Base interactions energy: -43.279
where: short stacking energy: -29.294
Base-Backbone interact. energy: 1.143
local terms energy: -68.563082
where:
bonds (distance) C4'-P energy: -19.379
bonds (distance) P-C4' energy: -18.900
flat angles C4'-P-C4' energy: -12.702
flat angles P-C4'-P energy: -13.126
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: 9, replica: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -102.261853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.261853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.261853 (E_RNA)
where:
Base-Base interactions energy: -40.995
where: short stacking energy: -40.743
Base-Backbone interact. energy: -0.016
local terms energy: -61.250235
where:
bonds (distance) C4'-P energy: -15.319
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -9.907
flat angles P-C4'-P energy: -8.695
tors. eta vs tors. theta energy: -13.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -99.921832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.921832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.921832 (E_RNA)
where:
Base-Base interactions energy: -5.477
where: short stacking energy: -5.477
Base-Backbone interact. energy: -0.000
local terms energy: -94.444876
where:
bonds (distance) C4'-P energy: -24.851
bonds (distance) P-C4' energy: -22.845
flat angles C4'-P-C4' energy: -18.897
flat angles P-C4'-P energy: -21.582
tors. eta vs tors. theta energy: -6.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -167.360574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.360574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.360574 (E_RNA)
where:
Base-Base interactions energy: -83.700
where: short stacking energy: -67.423
Base-Backbone interact. energy: -0.104
local terms energy: -83.556804
where:
bonds (distance) C4'-P energy: -20.998
bonds (distance) P-C4' energy: -11.974
flat angles C4'-P-C4' energy: -17.040
flat angles P-C4'-P energy: -15.779
tors. eta vs tors. theta energy: -17.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -174.009424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.009424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.009424 (E_RNA)
where:
Base-Base interactions energy: -88.819
where: short stacking energy: -53.238
Base-Backbone interact. energy: -0.084
local terms energy: -85.105856
where:
bonds (distance) C4'-P energy: -18.592
bonds (distance) P-C4' energy: -19.545
flat angles C4'-P-C4' energy: -20.188
flat angles P-C4'-P energy: -11.885
tors. eta vs tors. theta energy: -14.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -171.372988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.372988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.372988 (E_RNA)
where:
Base-Base interactions energy: -93.705
where: short stacking energy: -40.579
Base-Backbone interact. energy: 0.136
local terms energy: -77.803949
where:
bonds (distance) C4'-P energy: -16.401
bonds (distance) P-C4' energy: -19.076
flat angles C4'-P-C4' energy: -19.542
flat angles P-C4'-P energy: -15.256
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: 4, replica: 5
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -181.225593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.225593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.225593 (E_RNA)
where:
Base-Base interactions energy: -103.572
where: short stacking energy: -57.016
Base-Backbone interact. energy: -0.309
local terms energy: -77.345184
where:
bonds (distance) C4'-P energy: -20.628
bonds (distance) P-C4' energy: -17.464
flat angles C4'-P-C4' energy: -16.421
flat angles P-C4'-P energy: -14.425
tors. eta vs tors. theta energy: -8.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -140.573409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.573409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.573409 (E_RNA)
where:
Base-Base interactions energy: -67.310
where: short stacking energy: -42.424
Base-Backbone interact. energy: -0.787
local terms energy: -72.476390
where:
bonds (distance) C4'-P energy: -16.755
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -18.443
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: -8.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -128.001305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.001305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.001305 (E_RNA)
where:
Base-Base interactions energy: -58.726
where: short stacking energy: -50.514
Base-Backbone interact. energy: -0.105
local terms energy: -69.170197
where:
bonds (distance) C4'-P energy: -14.752
bonds (distance) P-C4' energy: -16.802
flat angles C4'-P-C4' energy: -16.633
flat angles P-C4'-P energy: -9.046
tors. eta vs tors. theta energy: -11.938
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: 7, replica: 7
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -118.214909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.214909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.214909 (E_RNA)
where:
Base-Base interactions energy: -51.539
where: short stacking energy: -33.027
Base-Backbone interact. energy: -0.204
local terms energy: -66.471707
where:
bonds (distance) C4'-P energy: -18.633
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -16.420
flat angles P-C4'-P energy: -11.702
tors. eta vs tors. theta energy: -6.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -108.491248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.491248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.491248 (E_RNA)
where:
Base-Base interactions energy: -47.530
where: short stacking energy: -37.603
Base-Backbone interact. energy: 0.152
local terms energy: -61.113202
where:
bonds (distance) C4'-P energy: -15.127
bonds (distance) P-C4' energy: -17.401
flat angles C4'-P-C4' energy: -18.429
flat angles P-C4'-P energy: -1.101
tors. eta vs tors. theta energy: -9.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -89.053471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.053471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.053471 (E_RNA)
where:
Base-Base interactions energy: -28.269
where: short stacking energy: -26.814
Base-Backbone interact. energy: -0.290
local terms energy: -60.493499
where:
bonds (distance) C4'-P energy: -16.490
bonds (distance) P-C4' energy: -19.773
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -13.745
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: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -81.496015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.496015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.496015 (E_RNA)
where:
Base-Base interactions energy: -22.220
where: short stacking energy: -22.220
Base-Backbone interact. energy: -0.052
local terms energy: -59.224623
where:
bonds (distance) C4'-P energy: -20.132
bonds (distance) P-C4' energy: -18.816
flat angles C4'-P-C4' energy: -10.527
flat angles P-C4'-P energy: -8.810
tors. eta vs tors. theta energy: -0.940
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: 1, replica: 3
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -177.117524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.117524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.117524 (E_RNA)
where:
Base-Base interactions energy: -96.718
where: short stacking energy: -55.558
Base-Backbone interact. energy: -0.063
local terms energy: -80.336552
where:
bonds (distance) C4'-P energy: -19.589
bonds (distance) P-C4' energy: -17.250
flat angles C4'-P-C4' energy: -18.601
flat angles P-C4'-P energy: -10.404
tors. eta vs tors. theta energy: -14.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -167.692443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.692443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.692443 (E_RNA)
where:
Base-Base interactions energy: -89.889
where: short stacking energy: -55.446
Base-Backbone interact. energy: -0.206
local terms energy: -77.596872
where:
bonds (distance) C4'-P energy: -13.582
bonds (distance) P-C4' energy: -17.727
flat angles C4'-P-C4' energy: -18.038
flat angles P-C4'-P energy: -12.624
tors. eta vs tors. theta energy: -15.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -210.681907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.681907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.681907 (E_RNA)
where:
Base-Base interactions energy: -132.135
where: short stacking energy: -64.377
Base-Backbone interact. energy: -0.114
local terms energy: -78.433777
where:
bonds (distance) C4'-P energy: -17.756
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -16.048
flat angles P-C4'-P energy: -12.264
tors. eta vs tors. theta energy: -15.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -179.235284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.235284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.235284 (E_RNA)
where:
Base-Base interactions energy: -108.899
where: short stacking energy: -41.131
Base-Backbone interact. energy: 0.322
local terms energy: -70.658154
where:
bonds (distance) C4'-P energy: -11.132
bonds (distance) P-C4' energy: -18.725
flat angles C4'-P-C4' energy: -17.002
flat angles P-C4'-P energy: -14.012
tors. eta vs tors. theta energy: -9.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -147.503372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.503372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.503372 (E_RNA)
where:
Base-Base interactions energy: -79.355
where: short stacking energy: -61.557
Base-Backbone interact. energy: 0.773
local terms energy: -68.921162
where:
bonds (distance) C4'-P energy: -13.549
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -19.607
flat angles P-C4'-P energy: -7.649
tors. eta vs tors. theta energy: -13.182
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: 6
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -111.071056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.071056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.071056 (E_RNA)
where:
Base-Base interactions energy: -44.595
where: short stacking energy: -25.521
Base-Backbone interact. energy: -0.119
local terms energy: -66.356733
where:
bonds (distance) C4'-P energy: -15.582
bonds (distance) P-C4' energy: -19.178
flat angles C4'-P-C4' energy: -19.350
flat angles P-C4'-P energy: -10.812
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: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -114.217502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.217502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.217502 (E_RNA)
where:
Base-Base interactions energy: -46.719
where: short stacking energy: -46.719
Base-Backbone interact. energy: -0.237
local terms energy: -67.261542
where:
bonds (distance) C4'-P energy: -19.561
bonds (distance) P-C4' energy: -12.921
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -8.091
tors. eta vs tors. theta energy: -9.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -98.763982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.763982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.763982 (E_RNA)
where:
Base-Base interactions energy: -47.511
where: short stacking energy: -29.028
Base-Backbone interact. energy: 0.601
local terms energy: -51.853233
where:
bonds (distance) C4'-P energy: -18.904
bonds (distance) P-C4' energy: -18.533
flat angles C4'-P-C4' energy: -13.380
flat angles P-C4'-P energy: -4.873
tors. eta vs tors. theta energy: 3.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -93.899552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.899552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.899552 (E_RNA)
where:
Base-Base interactions energy: -37.947
where: short stacking energy: -26.207
Base-Backbone interact. energy: -0.443
local terms energy: -55.509343
where:
bonds (distance) C4'-P energy: -18.558
bonds (distance) P-C4' energy: -12.066
flat angles C4'-P-C4' energy: -15.716
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: 2.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -88.231117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.231117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.231117 (E_RNA)
where:
Base-Base interactions energy: -21.613
where: short stacking energy: -21.102
Base-Backbone interact. energy: -1.757
local terms energy: -64.861703
where:
bonds (distance) C4'-P energy: -14.820
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -17.122
flat angles P-C4'-P energy: -10.000
tors. eta vs tors. theta energy: -7.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -197.822688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.822688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.822688 (E_RNA)
where:
Base-Base interactions energy: -122.492
where: short stacking energy: -46.937
Base-Backbone interact. energy: -0.207
local terms energy: -75.123647
where:
bonds (distance) C4'-P energy: -16.910
bonds (distance) P-C4' energy: -20.919
flat angles C4'-P-C4' energy: -14.239
flat angles P-C4'-P energy: -13.372
tors. eta vs tors. theta energy: -9.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -223.837859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.837859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.837859 (E_RNA)
where:
Base-Base interactions energy: -137.196
where: short stacking energy: -71.039
Base-Backbone interact. energy: -0.443
local terms energy: -86.199210
where:
bonds (distance) C4'-P energy: -15.430
bonds (distance) P-C4' energy: -16.853
flat angles C4'-P-C4' energy: -21.679
flat angles P-C4'-P energy: -17.742
tors. eta vs tors. theta energy: -14.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -170.616386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.616386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.616386 (E_RNA)
where:
Base-Base interactions energy: -79.458
where: short stacking energy: -70.139
Base-Backbone interact. energy: -0.051
local terms energy: -91.107753
where:
bonds (distance) C4'-P energy: -19.134
bonds (distance) P-C4' energy: -17.550
flat angles C4'-P-C4' energy: -22.582
flat angles P-C4'-P energy: -11.642
tors. eta vs tors. theta energy: -20.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -181.512730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.512730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.512730 (E_RNA)
where:
Base-Base interactions energy: -106.727
where: short stacking energy: -51.971
Base-Backbone interact. energy: -0.569
local terms energy: -74.215910
where:
bonds (distance) C4'-P energy: -16.411
bonds (distance) P-C4' energy: -20.476
flat angles C4'-P-C4' energy: -14.071
flat angles P-C4'-P energy: -12.584
tors. eta vs tors. theta energy: -10.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -135.542674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.542674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.542674 (E_RNA)
where:
Base-Base interactions energy: -64.635
where: short stacking energy: -54.152
Base-Backbone interact. energy: -0.062
local terms energy: -70.846405
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -16.512
flat angles C4'-P-C4' energy: -15.518
flat angles P-C4'-P energy: -12.927
tors. eta vs tors. theta energy: -9.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -123.580330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.580330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.580330 (E_RNA)
where:
Base-Base interactions energy: -47.994
where: short stacking energy: -46.456
Base-Backbone interact. energy: -0.120
local terms energy: -75.466354
where:
bonds (distance) C4'-P energy: -18.034
bonds (distance) P-C4' energy: -18.339
flat angles C4'-P-C4' energy: -17.564
flat angles P-C4'-P energy: -8.787
tors. eta vs tors. theta energy: -12.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -96.552842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.552842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.552842 (E_RNA)
where:
Base-Base interactions energy: -29.643
where: short stacking energy: -29.643
Base-Backbone interact. energy: -0.096
local terms energy: -66.813326
where:
bonds (distance) C4'-P energy: -15.406
bonds (distance) P-C4' energy: -17.632
flat angles C4'-P-C4' energy: -18.583
flat angles P-C4'-P energy: -11.790
tors. eta vs tors. theta energy: -3.402
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: 8, replica: 8
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -101.295799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.295799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.295799 (E_RNA)
where:
Base-Base interactions energy: -40.127
where: short stacking energy: -39.871
Base-Backbone interact. energy: -0.059
local terms energy: -61.110399
where:
bonds (distance) C4'-P energy: -12.776
bonds (distance) P-C4' energy: -17.617
flat angles C4'-P-C4' energy: -13.794
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -7.610
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: 9, replica: 7
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -99.588209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.588209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.588209 (E_RNA)
where:
Base-Base interactions energy: -38.484
where: short stacking energy: -29.312
Base-Backbone interact. energy: -0.987
local terms energy: -60.116734
where:
bonds (distance) C4'-P energy: -12.994
bonds (distance) P-C4' energy: -18.660
flat angles C4'-P-C4' energy: -17.631
flat angles P-C4'-P energy: -11.309
tors. eta vs tors. theta energy: 0.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -104.312075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.312075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.312075 (E_RNA)
where:
Base-Base interactions energy: -44.390
where: short stacking energy: -35.880
Base-Backbone interact. energy: -0.398
local terms energy: -59.524968
where:
bonds (distance) C4'-P energy: -11.543
bonds (distance) P-C4' energy: -20.421
flat angles C4'-P-C4' energy: -11.821
flat angles P-C4'-P energy: -14.088
tors. eta vs tors. theta energy: -1.651
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: 5
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -233.061771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.061771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.061771 (E_RNA)
where:
Base-Base interactions energy: -144.419
where: short stacking energy: -69.434
Base-Backbone interact. energy: -0.235
local terms energy: -88.407930
where:
bonds (distance) C4'-P energy: -16.910
bonds (distance) P-C4' energy: -19.033
flat angles C4'-P-C4' energy: -20.260
flat angles P-C4'-P energy: -14.734
tors. eta vs tors. theta energy: -17.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -205.659328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.659328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.659328 (E_RNA)
where:
Base-Base interactions energy: -121.401
where: short stacking energy: -53.325
Base-Backbone interact. energy: -0.831
local terms energy: -83.427813
where:
bonds (distance) C4'-P energy: -18.373
bonds (distance) P-C4' energy: -19.352
flat angles C4'-P-C4' energy: -18.876
flat angles P-C4'-P energy: -16.405
tors. eta vs tors. theta energy: -10.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -202.933233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.933233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.933233 (E_RNA)
where:
Base-Base interactions energy: -131.481
where: short stacking energy: -66.711
Base-Backbone interact. energy: -0.369
local terms energy: -71.083521
where:
bonds (distance) C4'-P energy: -11.197
bonds (distance) P-C4' energy: -17.797
flat angles C4'-P-C4' energy: -17.084
flat angles P-C4'-P energy: -5.652
tors. eta vs tors. theta energy: -19.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -136.822442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.822442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.822442 (E_RNA)
where:
Base-Base interactions energy: -67.863
where: short stacking energy: -54.935
Base-Backbone interact. energy: -0.143
local terms energy: -68.816135
where:
bonds (distance) C4'-P energy: -17.053
bonds (distance) P-C4' energy: -18.666
flat angles C4'-P-C4' energy: -13.608
flat angles P-C4'-P energy: -7.150
tors. eta vs tors. theta energy: -12.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -125.035209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.035209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.035209 (E_RNA)
where:
Base-Base interactions energy: -61.917
where: short stacking energy: -39.837
Base-Backbone interact. energy: -0.254
local terms energy: -62.863958
where:
bonds (distance) C4'-P energy: -7.646
bonds (distance) P-C4' energy: -21.318
flat angles C4'-P-C4' energy: -17.825
flat angles P-C4'-P energy: -10.430
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: 6, replica: 6
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -120.577997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.577997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.577997 (E_RNA)
where:
Base-Base interactions energy: -41.565
where: short stacking energy: -41.565
Base-Backbone interact. energy: -0.037
local terms energy: -78.976020
where:
bonds (distance) C4'-P energy: -19.013
bonds (distance) P-C4' energy: -17.802
flat angles C4'-P-C4' energy: -18.969
flat angles P-C4'-P energy: -13.521
tors. eta vs tors. theta energy: -9.671
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: 8
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -98.034123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.034123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.034123 (E_RNA)
where:
Base-Base interactions energy: -42.040
where: short stacking energy: -42.040
Base-Backbone interact. energy: -0.242
local terms energy: -55.751574
where:
bonds (distance) C4'-P energy: -14.137
bonds (distance) P-C4' energy: -17.515
flat angles C4'-P-C4' energy: -14.430
flat angles P-C4'-P energy: -4.529
tors. eta vs tors. theta energy: -5.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -92.964718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.964718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.964718 (E_RNA)
where:
Base-Base interactions energy: -39.052
where: short stacking energy: -27.176
Base-Backbone interact. energy: -0.113
local terms energy: -53.800277
where:
bonds (distance) C4'-P energy: -16.339
bonds (distance) P-C4' energy: -17.663
flat angles C4'-P-C4' energy: -17.738
flat angles P-C4'-P energy: -4.657
tors. eta vs tors. theta energy: 2.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -94.182830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.182830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.182830 (E_RNA)
where:
Base-Base interactions energy: -32.300
where: short stacking energy: -31.893
Base-Backbone interact. energy: -0.025
local terms energy: -61.858112
where:
bonds (distance) C4'-P energy: -16.439
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -20.465
flat angles P-C4'-P energy: -8.550
tors. eta vs tors. theta energy: -1.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -80.854663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.854663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.854663 (E_RNA)
where:
Base-Base interactions energy: -34.754
where: short stacking energy: -29.927
Base-Backbone interact. energy: 3.928
local terms energy: -50.028714
where:
bonds (distance) C4'-P energy: -15.578
bonds (distance) P-C4' energy: -18.560
flat angles C4'-P-C4' energy: -11.913
flat angles P-C4'-P energy: -7.017
tors. eta vs tors. theta energy: 3.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -239.056026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.056026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.056026 (E_RNA)
where:
Base-Base interactions energy: -154.358
where: short stacking energy: -72.672
Base-Backbone interact. energy: -0.304
local terms energy: -84.393725
where:
bonds (distance) C4'-P energy: -13.806
bonds (distance) P-C4' energy: -16.085
flat angles C4'-P-C4' energy: -19.827
flat angles P-C4'-P energy: -15.849
tors. eta vs tors. theta energy: -18.827
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: 2
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -212.811681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.811681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.811681 (E_RNA)
where:
Base-Base interactions energy: -133.380
where: short stacking energy: -57.787
Base-Backbone interact. energy: -0.246
local terms energy: -79.185328
where:
bonds (distance) C4'-P energy: -19.880
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -15.359
flat angles P-C4'-P energy: -14.543
tors. eta vs tors. theta energy: -12.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -231.202006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.202006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.202006 (E_RNA)
where:
Base-Base interactions energy: -152.393
where: short stacking energy: -61.497
Base-Backbone interact. energy: 0.051
local terms energy: -78.859524
where:
bonds (distance) C4'-P energy: -17.618
bonds (distance) P-C4' energy: -14.252
flat angles C4'-P-C4' energy: -22.023
flat angles P-C4'-P energy: -13.395
tors. eta vs tors. theta energy: -11.571
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: 4
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -126.618242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.618242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.618242 (E_RNA)
where:
Base-Base interactions energy: -56.296
where: short stacking energy: -41.584
Base-Backbone interact. energy: -0.993
local terms energy: -69.329763
where:
bonds (distance) C4'-P energy: -17.590
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -17.925
flat angles P-C4'-P energy: -13.836
tors. eta vs tors. theta energy: -2.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -133.598573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.598573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.598573 (E_RNA)
where:
Base-Base interactions energy: -57.703
where: short stacking energy: -57.703
Base-Backbone interact. energy: -0.055
local terms energy: -75.840273
where:
bonds (distance) C4'-P energy: -18.631
bonds (distance) P-C4' energy: -17.980
flat angles C4'-P-C4' energy: -12.424
flat angles P-C4'-P energy: -11.100
tors. eta vs tors. theta energy: -15.705
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: 7
Temperature: 1.150000
Total energy: -105.199934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.199934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.199934 (E_RNA)
where:
Base-Base interactions energy: -35.346
where: short stacking energy: -35.302
Base-Backbone interact. energy: -0.102
local terms energy: -69.752471
where:
bonds (distance) C4'-P energy: -14.075
bonds (distance) P-C4' energy: -15.710
flat angles C4'-P-C4' energy: -19.128
flat angles P-C4'-P energy: -8.812
tors. eta vs tors. theta energy: -12.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -99.133932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.133932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.133932 (E_RNA)
where:
Base-Base interactions energy: -41.692
where: short stacking energy: -36.827
Base-Backbone interact. energy: -0.126
local terms energy: -57.315550
where:
bonds (distance) C4'-P energy: -18.737
bonds (distance) P-C4' energy: -17.387
flat angles C4'-P-C4' energy: -12.748
flat angles P-C4'-P energy: -7.064
tors. eta vs tors. theta energy: -1.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -96.417627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.417627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.417627 (E_RNA)
where:
Base-Base interactions energy: -33.147
where: short stacking energy: -32.868
Base-Backbone interact. energy: -0.212
local terms energy: -63.057914
where:
bonds (distance) C4'-P energy: -15.096
bonds (distance) P-C4' energy: -19.952
flat angles C4'-P-C4' energy: -17.451
flat angles P-C4'-P energy: -8.514
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: 9, replica: 9
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -94.174100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.174100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.174100 (E_RNA)
where:
Base-Base interactions energy: -31.282
where: short stacking energy: -30.676
Base-Backbone interact. energy: 0.040
local terms energy: -62.931741
where:
bonds (distance) C4'-P energy: -13.835
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -13.794
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -9.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -86.516655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.516655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.516655 (E_RNA)
where:
Base-Base interactions energy: -38.578
where: short stacking energy: -25.558
Base-Backbone interact. energy: -0.153
local terms energy: -47.786259
where:
bonds (distance) C4'-P energy: -17.350
bonds (distance) P-C4' energy: -17.916
flat angles C4'-P-C4' energy: -13.642
flat angles P-C4'-P energy: -4.018
tors. eta vs tors. theta energy: 5.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -229.326469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.326469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.326469 (E_RNA)
where:
Base-Base interactions energy: -135.732
where: short stacking energy: -79.090
Base-Backbone interact. energy: -0.146
local terms energy: -93.448363
where:
bonds (distance) C4'-P energy: -20.977
bonds (distance) P-C4' energy: -15.680
flat angles C4'-P-C4' energy: -20.152
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: -25.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -226.966085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.966085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.966085 (E_RNA)
where:
Base-Base interactions energy: -134.472
where: short stacking energy: -61.518
Base-Backbone interact. energy: -0.254
local terms energy: -92.240264
where:
bonds (distance) C4'-P energy: -20.592
bonds (distance) P-C4' energy: -19.309
flat angles C4'-P-C4' energy: -19.198
flat angles P-C4'-P energy: -16.354
tors. eta vs tors. theta energy: -16.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -199.453292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.453292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.453292 (E_RNA)
where:
Base-Base interactions energy: -120.515
where: short stacking energy: -53.068
Base-Backbone interact. energy: -0.222
local terms energy: -78.716497
where:
bonds (distance) C4'-P energy: -20.215
bonds (distance) P-C4' energy: -18.974
flat angles C4'-P-C4' energy: -18.159
flat angles P-C4'-P energy: -8.887
tors. eta vs tors. theta energy: -12.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -134.338019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.338019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.338019 (E_RNA)
where:
Base-Base interactions energy: -57.941
where: short stacking energy: -41.309
Base-Backbone interact. energy: -0.142
local terms energy: -76.254435
where:
bonds (distance) C4'-P energy: -18.106
bonds (distance) P-C4' energy: -20.857
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -13.057
tors. eta vs tors. theta energy: -7.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -126.305511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.305511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.305511 (E_RNA)
where:
Base-Base interactions energy: -58.864
where: short stacking energy: -41.639
Base-Backbone interact. energy: -0.423
local terms energy: -67.018449
where:
bonds (distance) C4'-P energy: -14.133
bonds (distance) P-C4' energy: -18.447
flat angles C4'-P-C4' energy: -19.167
flat angles P-C4'-P energy: -12.247
tors. eta vs tors. theta energy: -3.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -109.467563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.467563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.467563 (E_RNA)
where:
Base-Base interactions energy: -42.456
where: short stacking energy: -25.540
Base-Backbone interact. energy: -0.239
local terms energy: -66.773345
where:
bonds (distance) C4'-P energy: -16.199
bonds (distance) P-C4' energy: -14.643
flat angles C4'-P-C4' energy: -16.972
flat angles P-C4'-P energy: -12.119
tors. eta vs tors. theta energy: -6.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -130.300260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.300260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.300260 (E_RNA)
where:
Base-Base interactions energy: -73.329
where: short stacking energy: -23.198
Base-Backbone interact. energy: -0.478
local terms energy: -56.493321
where:
bonds (distance) C4'-P energy: -11.724
bonds (distance) P-C4' energy: -18.270
flat angles C4'-P-C4' energy: -14.108
flat angles P-C4'-P energy: -9.923
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: 8, replica: 6
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -114.715423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.715423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.715423 (E_RNA)
where:
Base-Base interactions energy: -55.014
where: short stacking energy: -39.364
Base-Backbone interact. energy: -0.309
local terms energy: -59.392445
where:
bonds (distance) C4'-P energy: -18.654
bonds (distance) P-C4' energy: -8.185
flat angles C4'-P-C4' energy: -16.008
flat angles P-C4'-P energy: -9.757
tors. eta vs tors. theta energy: -6.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -93.626071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.626071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.626071 (E_RNA)
where:
Base-Base interactions energy: -42.604
where: short stacking energy: -39.851
Base-Backbone interact. energy: -0.323
local terms energy: -50.699092
where:
bonds (distance) C4'-P energy: -14.837
bonds (distance) P-C4' energy: -21.095
flat angles C4'-P-C4' energy: -5.452
flat angles P-C4'-P energy: -6.520
tors. eta vs tors. theta energy: -2.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -91.982672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.982672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.982672 (E_RNA)
where:
Base-Base interactions energy: -41.765
where: short stacking energy: -25.583
Base-Backbone interact. energy: -0.084
local terms energy: -50.133285
where:
bonds (distance) C4'-P energy: -16.902
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -14.746
flat angles P-C4'-P energy: -6.879
tors. eta vs tors. theta energy: 4.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -241.384561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.384561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.384561 (E_RNA)
where:
Base-Base interactions energy: -153.985
where: short stacking energy: -84.008
Base-Backbone interact. energy: -0.293
local terms energy: -87.106408
where:
bonds (distance) C4'-P energy: -16.829
bonds (distance) P-C4' energy: -20.355
flat angles C4'-P-C4' energy: -19.715
flat angles P-C4'-P energy: -7.022
tors. eta vs tors. theta energy: -23.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -223.923319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.923319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.923319 (E_RNA)
where:
Base-Base interactions energy: -139.306
where: short stacking energy: -70.621
Base-Backbone interact. energy: -0.345
local terms energy: -84.272256
where:
bonds (distance) C4'-P energy: -18.223
bonds (distance) P-C4' energy: -20.986
flat angles C4'-P-C4' energy: -18.493
flat angles P-C4'-P energy: -7.319
tors. eta vs tors. theta energy: -19.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -215.984388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.984388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.984388 (E_RNA)
where:
Base-Base interactions energy: -137.317
where: short stacking energy: -54.593
Base-Backbone interact. energy: -0.299
local terms energy: -78.367601
where:
bonds (distance) C4'-P energy: -15.885
bonds (distance) P-C4' energy: -21.565
flat angles C4'-P-C4' energy: -14.927
flat angles P-C4'-P energy: -12.467
tors. eta vs tors. theta energy: -13.523
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: 4, replica: 4
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -157.950436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.950436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.950436 (E_RNA)
where:
Base-Base interactions energy: -89.848
where: short stacking energy: -61.011
Base-Backbone interact. energy: 0.838
local terms energy: -68.940383
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -17.283
flat angles C4'-P-C4' energy: -17.201
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -11.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -121.754050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.754050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.754050 (E_RNA)
where:
Base-Base interactions energy: -42.328
where: short stacking energy: -42.328
Base-Backbone interact. energy: -0.043
local terms energy: -79.382547
where:
bonds (distance) C4'-P energy: -17.822
bonds (distance) P-C4' energy: -20.007
flat angles C4'-P-C4' energy: -20.303
flat angles P-C4'-P energy: -13.161
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: 6, replica: 1
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -113.509770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.509770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.509770 (E_RNA)
where:
Base-Base interactions energy: -48.057
where: short stacking energy: -43.853
Base-Backbone interact. energy: -0.617
local terms energy: -64.835986
where:
bonds (distance) C4'-P energy: -19.048
bonds (distance) P-C4' energy: -17.434
flat angles C4'-P-C4' energy: -17.757
flat angles P-C4'-P energy: -9.998
tors. eta vs tors. theta energy: -0.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -125.191263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.191263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.191263 (E_RNA)
where:
Base-Base interactions energy: -49.228
where: short stacking energy: -47.304
Base-Backbone interact. energy: -0.162
local terms energy: -75.801949
where:
bonds (distance) C4'-P energy: -15.922
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -21.306
flat angles P-C4'-P energy: -12.140
tors. eta vs tors. theta energy: -8.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -106.917380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.917380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.917380 (E_RNA)
where:
Base-Base interactions energy: -48.716
where: short stacking energy: -37.112
Base-Backbone interact. energy: -0.143
local terms energy: -58.058016
where:
bonds (distance) C4'-P energy: -7.775
bonds (distance) P-C4' energy: -17.003
flat angles C4'-P-C4' energy: -14.907
flat angles P-C4'-P energy: -6.162
tors. eta vs tors. theta energy: -12.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -84.127536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.127536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.127536 (E_RNA)
where:
Base-Base interactions energy: -33.330
where: short stacking energy: -27.708
Base-Backbone interact. energy: 0.322
local terms energy: -51.119311
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -18.139
flat angles C4'-P-C4' energy: -16.855
flat angles P-C4'-P energy: -5.918
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: 10, replica: 9
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -86.292963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.292963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.292963 (E_RNA)
where:
Base-Base interactions energy: -29.110
where: short stacking energy: -26.613
Base-Backbone interact. energy: 0.113
local terms energy: -57.295911
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -10.769
flat angles C4'-P-C4' energy: -19.700
flat angles P-C4'-P energy: -6.104
tors. eta vs tors. theta energy: -5.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -258.271746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.271746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.271746 (E_RNA)
where:
Base-Base interactions energy: -170.549
where: short stacking energy: -69.575
Base-Backbone interact. energy: -0.410
local terms energy: -87.312738
where:
bonds (distance) C4'-P energy: -15.028
bonds (distance) P-C4' energy: -21.414
flat angles C4'-P-C4' energy: -20.996
flat angles P-C4'-P energy: -13.028
tors. eta vs tors. theta energy: -16.847
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: 5
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -224.409344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.409344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.409344 (E_RNA)
where:
Base-Base interactions energy: -143.121
where: short stacking energy: -72.588
Base-Backbone interact. energy: -0.014
local terms energy: -81.274104
where:
bonds (distance) C4'-P energy: -17.885
bonds (distance) P-C4' energy: -12.544
flat angles C4'-P-C4' energy: -17.861
flat angles P-C4'-P energy: -14.744
tors. eta vs tors. theta energy: -18.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -230.628244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.628244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.628244 (E_RNA)
where:
Base-Base interactions energy: -153.133
where: short stacking energy: -58.312
Base-Backbone interact. energy: -0.543
local terms energy: -76.952879
where:
bonds (distance) C4'-P energy: -20.219
bonds (distance) P-C4' energy: -20.107
flat angles C4'-P-C4' energy: -17.260
flat angles P-C4'-P energy: -11.165
tors. eta vs tors. theta energy: -8.203
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: 10
Temperature: 1.050000
Total energy: -157.730611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.730611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.730611 (E_RNA)
where:
Base-Base interactions energy: -88.221
where: short stacking energy: -41.926
Base-Backbone interact. energy: -0.122
local terms energy: -69.388157
where:
bonds (distance) C4'-P energy: -17.639
bonds (distance) P-C4' energy: -14.314
flat angles C4'-P-C4' energy: -18.768
flat angles P-C4'-P energy: -11.575
tors. eta vs tors. theta energy: -7.092
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: 1
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -112.194065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.194065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.194065 (E_RNA)
where:
Base-Base interactions energy: -51.058
where: short stacking energy: -40.182
Base-Backbone interact. energy: -0.079
local terms energy: -61.056505
where:
bonds (distance) C4'-P energy: -14.598
bonds (distance) P-C4' energy: -17.391
flat angles C4'-P-C4' energy: -13.494
flat angles P-C4'-P energy: -9.547
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: 6, replica: 8
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -121.121836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.121836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.121836 (E_RNA)
where:
Base-Base interactions energy: -45.510
where: short stacking energy: -45.510
Base-Backbone interact. energy: -0.201
local terms energy: -75.410481
where:
bonds (distance) C4'-P energy: -16.473
bonds (distance) P-C4' energy: -19.190
flat angles C4'-P-C4' energy: -16.453
flat angles P-C4'-P energy: -13.212
tors. eta vs tors. theta energy: -10.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -110.577640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.577640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.577640 (E_RNA)
where:
Base-Base interactions energy: -40.208
where: short stacking energy: -39.987
Base-Backbone interact. energy: -0.021
local terms energy: -70.348272
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -19.458
flat angles C4'-P-C4' energy: -16.175
flat angles P-C4'-P energy: -13.180
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: 8, replica: 10
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -100.642169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.642169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.642169 (E_RNA)
where:
Base-Base interactions energy: -39.421
where: short stacking energy: -39.421
Base-Backbone interact. energy: -0.115
local terms energy: -61.106490
where:
bonds (distance) C4'-P energy: -12.048
bonds (distance) P-C4' energy: -19.170
flat angles C4'-P-C4' energy: -10.650
flat angles P-C4'-P energy: -9.158
tors. eta vs tors. theta energy: -10.080
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: 9
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -96.392905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.392905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.392905 (E_RNA)
where:
Base-Base interactions energy: -31.804
where: short stacking energy: -29.694
Base-Backbone interact. energy: -0.040
local terms energy: -64.549118
where:
bonds (distance) C4'-P energy: -16.626
bonds (distance) P-C4' energy: -18.716
flat angles C4'-P-C4' energy: -12.457
flat angles P-C4'-P energy: -13.817
tors. eta vs tors. theta energy: -2.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -79.931390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.931390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.931390 (E_RNA)
where:
Base-Base interactions energy: -26.496
where: short stacking energy: -19.540
Base-Backbone interact. energy: -0.184
local terms energy: -53.250578
where:
bonds (distance) C4'-P energy: -15.310
bonds (distance) P-C4' energy: -17.515
flat angles C4'-P-C4' energy: -16.183
flat angles P-C4'-P energy: -5.960
tors. eta vs tors. theta energy: 1.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -267.687292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.687292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.687292 (E_RNA)
where:
Base-Base interactions energy: -183.083
where: short stacking energy: -65.793
Base-Backbone interact. energy: -0.866
local terms energy: -83.738262
where:
bonds (distance) C4'-P energy: -18.851
bonds (distance) P-C4' energy: -15.104
flat angles C4'-P-C4' energy: -19.800
flat angles P-C4'-P energy: -11.397
tors. eta vs tors. theta energy: -18.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -245.350843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.350843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.350843 (E_RNA)
where:
Base-Base interactions energy: -163.572
where: short stacking energy: -62.400
Base-Backbone interact. energy: -0.153
local terms energy: -81.625830
where:
bonds (distance) C4'-P energy: -15.868
bonds (distance) P-C4' energy: -20.215
flat angles C4'-P-C4' energy: -14.778
flat angles P-C4'-P energy: -13.800
tors. eta vs tors. theta energy: -16.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -225.800121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.800121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.800121 (E_RNA)
where:
Base-Base interactions energy: -136.768
where: short stacking energy: -69.636
Base-Backbone interact. energy: -0.001
local terms energy: -89.030643
where:
bonds (distance) C4'-P energy: -17.507
bonds (distance) P-C4' energy: -20.485
flat angles C4'-P-C4' energy: -16.726
flat angles P-C4'-P energy: -15.237
tors. eta vs tors. theta energy: -19.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -167.321456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.321456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.321456 (E_RNA)
where:
Base-Base interactions energy: -82.997
where: short stacking energy: -56.742
Base-Backbone interact. energy: -0.694
local terms energy: -83.630657
where:
bonds (distance) C4'-P energy: -16.176
bonds (distance) P-C4' energy: -22.424
flat angles C4'-P-C4' energy: -18.273
flat angles P-C4'-P energy: -7.943
tors. eta vs tors. theta energy: -18.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -141.554304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.554304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.554304 (E_RNA)
where:
Base-Base interactions energy: -69.766
where: short stacking energy: -44.865
Base-Backbone interact. energy: 0.576
local terms energy: -72.364109
where:
bonds (distance) C4'-P energy: -16.743
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -18.608
flat angles P-C4'-P energy: -13.137
tors. eta vs tors. theta energy: -9.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -133.621250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.621250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.621250 (E_RNA)
where:
Base-Base interactions energy: -57.750
where: short stacking energy: -48.158
Base-Backbone interact. energy: -0.024
local terms energy: -75.847180
where:
bonds (distance) C4'-P energy: -17.280
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -18.549
flat angles P-C4'-P energy: -8.893
tors. eta vs tors. theta energy: -13.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -104.098401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.098401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.098401 (E_RNA)
where:
Base-Base interactions energy: -55.526
where: short stacking energy: -33.491
Base-Backbone interact. energy: 3.117
local terms energy: -51.689836
where:
bonds (distance) C4'-P energy: -16.853
bonds (distance) P-C4' energy: -18.579
flat angles C4'-P-C4' energy: -9.482
flat angles P-C4'-P energy: -7.160
tors. eta vs tors. theta energy: 0.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -108.921772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.921772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.921772 (E_RNA)
where:
Base-Base interactions energy: -49.298
where: short stacking energy: -22.218
Base-Backbone interact. energy: -0.084
local terms energy: -59.540054
where:
bonds (distance) C4'-P energy: -19.499
bonds (distance) P-C4' energy: -17.594
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -8.780
tors. eta vs tors. theta energy: 1.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -108.402408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.402408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.402408 (E_RNA)
where:
Base-Base interactions energy: -46.764
where: short stacking energy: -31.575
Base-Backbone interact. energy: -0.097
local terms energy: -61.541388
where:
bonds (distance) C4'-P energy: -15.433
bonds (distance) P-C4' energy: -19.943
flat angles C4'-P-C4' energy: -11.983
flat angles P-C4'-P energy: -7.921
tors. eta vs tors. theta energy: -6.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -100.453932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.453932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.453932 (E_RNA)
where:
Base-Base interactions energy: -41.543
where: short stacking energy: -38.055
Base-Backbone interact. energy: -0.882
local terms energy: -58.028929
where:
bonds (distance) C4'-P energy: -17.536
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -13.307
flat angles P-C4'-P energy: -4.311
tors. eta vs tors. theta energy: -6.736
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: 1, replica: 2
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -258.505012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.505012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.505012 (E_RNA)
where:
Base-Base interactions energy: -167.516
where: short stacking energy: -65.471
Base-Backbone interact. energy: -1.037
local terms energy: -89.952478
where:
bonds (distance) C4'-P energy: -20.212
bonds (distance) P-C4' energy: -19.149
flat angles C4'-P-C4' energy: -17.849
flat angles P-C4'-P energy: -13.310
tors. eta vs tors. theta energy: -19.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -251.676487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.676487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.676487 (E_RNA)
where:
Base-Base interactions energy: -162.955
where: short stacking energy: -69.151
Base-Backbone interact. energy: 1.235
local terms energy: -89.956479
where:
bonds (distance) C4'-P energy: -21.106
bonds (distance) P-C4' energy: -19.962
flat angles C4'-P-C4' energy: -19.821
flat angles P-C4'-P energy: -14.299
tors. eta vs tors. theta energy: -14.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -217.895111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.895111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.895111 (E_RNA)
where:
Base-Base interactions energy: -138.935
where: short stacking energy: -56.048
Base-Backbone interact. energy: -2.166
local terms energy: -76.793787
where:
bonds (distance) C4'-P energy: -15.289
bonds (distance) P-C4' energy: -19.921
flat angles C4'-P-C4' energy: -14.458
flat angles P-C4'-P energy: -14.301
tors. eta vs tors. theta energy: -12.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -158.765863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.765863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.765863 (E_RNA)
where:
Base-Base interactions energy: -93.574
where: short stacking energy: -50.578
Base-Backbone interact. energy: -0.154
local terms energy: -65.038589
where:
bonds (distance) C4'-P energy: -17.674
bonds (distance) P-C4' energy: -16.559
flat angles C4'-P-C4' energy: -18.219
flat angles P-C4'-P energy: -8.375
tors. eta vs tors. theta energy: -4.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -131.780093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.780093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.780093 (E_RNA)
where:
Base-Base interactions energy: -60.394
where: short stacking energy: -42.717
Base-Backbone interact. energy: -0.824
local terms energy: -70.562292
where:
bonds (distance) C4'-P energy: -16.692
bonds (distance) P-C4' energy: -19.924
flat angles C4'-P-C4' energy: -14.079
flat angles P-C4'-P energy: -6.053
tors. eta vs tors. theta energy: -13.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -118.143438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.143438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.143438 (E_RNA)
where:
Base-Base interactions energy: -43.505
where: short stacking energy: -37.078
Base-Backbone interact. energy: -0.184
local terms energy: -74.454779
where:
bonds (distance) C4'-P energy: -18.572
bonds (distance) P-C4' energy: -20.920
flat angles C4'-P-C4' energy: -13.613
flat angles P-C4'-P energy: -11.852
tors. eta vs tors. theta energy: -9.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -100.003851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.003851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.003851 (E_RNA)
where:
Base-Base interactions energy: -35.508
where: short stacking energy: -22.512
Base-Backbone interact. energy: 0.262
local terms energy: -64.757658
where:
bonds (distance) C4'-P energy: -18.046
bonds (distance) P-C4' energy: -16.743
flat angles C4'-P-C4' energy: -18.663
flat angles P-C4'-P energy: -10.214
tors. eta vs tors. theta energy: -1.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -100.660583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.660583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.660583 (E_RNA)
where:
Base-Base interactions energy: -40.538
where: short stacking energy: -15.775
Base-Backbone interact. energy: -0.200
local terms energy: -59.922830
where:
bonds (distance) C4'-P energy: -17.485
bonds (distance) P-C4' energy: -21.447
flat angles C4'-P-C4' energy: -15.438
flat angles P-C4'-P energy: -8.899
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: 9, replica: 7
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -98.195064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.195064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.195064 (E_RNA)
where:
Base-Base interactions energy: -34.853
where: short stacking energy: -34.853
Base-Backbone interact. energy: -0.116
local terms energy: -63.225295
where:
bonds (distance) C4'-P energy: -18.732
bonds (distance) P-C4' energy: -19.531
flat angles C4'-P-C4' energy: -16.489
flat angles P-C4'-P energy: -3.082
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: 10
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -94.698240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.698240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.698240 (E_RNA)
where:
Base-Base interactions energy: -25.185
where: short stacking energy: -25.185
Base-Backbone interact. energy: -1.232
local terms energy: -68.281861
where:
bonds (distance) C4'-P energy: -17.857
bonds (distance) P-C4' energy: -20.609
flat angles C4'-P-C4' energy: -18.257
flat angles P-C4'-P energy: -8.459
tors. eta vs tors. theta energy: -3.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -256.547387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.547387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.547387 (E_RNA)
where:
Base-Base interactions energy: -165.315
where: short stacking energy: -71.049
Base-Backbone interact. energy: -0.809
local terms energy: -90.423279
where:
bonds (distance) C4'-P energy: -17.471
bonds (distance) P-C4' energy: -18.519
flat angles C4'-P-C4' energy: -19.700
flat angles P-C4'-P energy: -13.840
tors. eta vs tors. theta energy: -20.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -239.440304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.440304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.440304 (E_RNA)
where:
Base-Base interactions energy: -160.283
where: short stacking energy: -64.162
Base-Backbone interact. energy: -0.061
local terms energy: -79.096572
where:
bonds (distance) C4'-P energy: -20.853
bonds (distance) P-C4' energy: -17.490
flat angles C4'-P-C4' energy: -17.163
flat angles P-C4'-P energy: -8.906
tors. eta vs tors. theta energy: -14.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -208.481494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.481494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.481494 (E_RNA)
where:
Base-Base interactions energy: -130.335
where: short stacking energy: -61.507
Base-Backbone interact. energy: -0.011
local terms energy: -78.135230
where:
bonds (distance) C4'-P energy: -14.664
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -15.411
flat angles P-C4'-P energy: -14.958
tors. eta vs tors. theta energy: -15.421
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: 4, replica: 8
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -168.725221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.725221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.725221 (E_RNA)
where:
Base-Base interactions energy: -98.598
where: short stacking energy: -65.532
Base-Backbone interact. energy: -0.133
local terms energy: -69.993926
where:
bonds (distance) C4'-P energy: -9.679
bonds (distance) P-C4' energy: -16.305
flat angles C4'-P-C4' energy: -16.958
flat angles P-C4'-P energy: -15.186
tors. eta vs tors. theta energy: -11.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -152.168322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.168322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.168322 (E_RNA)
where:
Base-Base interactions energy: -76.254
where: short stacking energy: -47.076
Base-Backbone interact. energy: -0.078
local terms energy: -75.837198
where:
bonds (distance) C4'-P energy: -12.750
bonds (distance) P-C4' energy: -18.044
flat angles C4'-P-C4' energy: -16.672
flat angles P-C4'-P energy: -13.917
tors. eta vs tors. theta energy: -14.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -124.772716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.772716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.772716 (E_RNA)
where:
Base-Base interactions energy: -61.049
where: short stacking energy: -43.061
Base-Backbone interact. energy: -0.183
local terms energy: -63.540706
where:
bonds (distance) C4'-P energy: -14.738
bonds (distance) P-C4' energy: -11.208
flat angles C4'-P-C4' energy: -16.204
flat angles P-C4'-P energy: -12.057
tors. eta vs tors. theta energy: -9.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -99.818605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.818605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.818605 (E_RNA)
where:
Base-Base interactions energy: -32.472
where: short stacking energy: -31.790
Base-Backbone interact. energy: -0.599
local terms energy: -66.747392
where:
bonds (distance) C4'-P energy: -18.343
bonds (distance) P-C4' energy: -17.253
flat angles C4'-P-C4' energy: -17.336
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -2.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -103.907882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.907882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.907882 (E_RNA)
where:
Base-Base interactions energy: -37.003
where: short stacking energy: -33.329
Base-Backbone interact. energy: -0.354
local terms energy: -66.550952
where:
bonds (distance) C4'-P energy: -15.163
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -13.689
flat angles P-C4'-P energy: -12.413
tors. eta vs tors. theta energy: -9.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -99.031111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.031111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.031111 (E_RNA)
where:
Base-Base interactions energy: -36.005
where: short stacking energy: -36.005
Base-Backbone interact. energy: -0.785
local terms energy: -62.240632
where:
bonds (distance) C4'-P energy: -19.444
bonds (distance) P-C4' energy: -12.586
flat angles C4'-P-C4' energy: -13.560
flat angles P-C4'-P energy: -8.654
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: 10, replica: 10
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -89.520760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.520760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.520760 (E_RNA)
where:
Base-Base interactions energy: -32.460
where: short stacking energy: -32.442
Base-Backbone interact. energy: -0.213
local terms energy: -56.847726
where:
bonds (distance) C4'-P energy: -15.520
bonds (distance) P-C4' energy: -11.989
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -7.427
tors. eta vs tors. theta energy: -6.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -247.136466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.136466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.136466 (E_RNA)
where:
Base-Base interactions energy: -151.537
where: short stacking energy: -72.037
Base-Backbone interact. energy: -0.274
local terms energy: -95.325083
where:
bonds (distance) C4'-P energy: -19.935
bonds (distance) P-C4' energy: -20.204
flat angles C4'-P-C4' energy: -19.610
flat angles P-C4'-P energy: -15.060
tors. eta vs tors. theta energy: -20.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -243.955920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.955920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.955920 (E_RNA)
where:
Base-Base interactions energy: -161.643
where: short stacking energy: -74.271
Base-Backbone interact. energy: -0.477
local terms energy: -81.835227
where:
bonds (distance) C4'-P energy: -19.225
bonds (distance) P-C4' energy: -16.602
flat angles C4'-P-C4' energy: -17.519
flat angles P-C4'-P energy: -12.177
tors. eta vs tors. theta energy: -16.312
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: 5
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -244.405982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.405982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.405982 (E_RNA)
where:
Base-Base interactions energy: -153.489
where: short stacking energy: -68.160
Base-Backbone interact. energy: -0.006
local terms energy: -90.911297
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -21.958
flat angles C4'-P-C4' energy: -19.481
flat angles P-C4'-P energy: -12.824
tors. eta vs tors. theta energy: -22.451
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: 4, replica: 8
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -189.983982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.983982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.983982 (E_RNA)
where:
Base-Base interactions energy: -114.594
where: short stacking energy: -50.668
Base-Backbone interact. energy: -0.004
local terms energy: -75.386618
where:
bonds (distance) C4'-P energy: -16.223
bonds (distance) P-C4' energy: -18.317
flat angles C4'-P-C4' energy: -15.369
flat angles P-C4'-P energy: -6.144
tors. eta vs tors. theta energy: -19.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -121.826078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.826078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.826078 (E_RNA)
where:
Base-Base interactions energy: -51.128
where: short stacking energy: -49.699
Base-Backbone interact. energy: -0.083
local terms energy: -70.614886
where:
bonds (distance) C4'-P energy: -15.931
bonds (distance) P-C4' energy: -19.234
flat angles C4'-P-C4' energy: -16.629
flat angles P-C4'-P energy: -7.672
tors. eta vs tors. theta energy: -11.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -162.651978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.651978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.651978 (E_RNA)
where:
Base-Base interactions energy: -83.238
where: short stacking energy: -45.416
Base-Backbone interact. energy: -0.214
local terms energy: -79.199595
where:
bonds (distance) C4'-P energy: -20.257
bonds (distance) P-C4' energy: -22.016
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -14.427
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: 7, replica: 7
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -115.986594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.986594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.986594 (E_RNA)
where:
Base-Base interactions energy: -44.800
where: short stacking energy: -44.800
Base-Backbone interact. energy: 0.389
local terms energy: -71.575692
where:
bonds (distance) C4'-P energy: -19.358
bonds (distance) P-C4' energy: -14.767
flat angles C4'-P-C4' energy: -17.443
flat angles P-C4'-P energy: -11.324
tors. eta vs tors. theta energy: -8.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -95.637756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.637756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.637756 (E_RNA)
where:
Base-Base interactions energy: -37.128
where: short stacking energy: -33.844
Base-Backbone interact. energy: -0.106
local terms energy: -58.404076
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -19.314
flat angles C4'-P-C4' energy: -11.248
flat angles P-C4'-P energy: -10.611
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: 9, replica: 6
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -85.935972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.935972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.935972 (E_RNA)
where:
Base-Base interactions energy: -30.145
where: short stacking energy: -24.228
Base-Backbone interact. energy: -0.188
local terms energy: -55.603192
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -14.319
flat angles C4'-P-C4' energy: -16.095
flat angles P-C4'-P energy: -9.524
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: 10, replica: 10
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -83.856877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.856877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.856877 (E_RNA)
where:
Base-Base interactions energy: -27.648
where: short stacking energy: -12.852
Base-Backbone interact. energy: 1.100
local terms energy: -57.308414
where:
bonds (distance) C4'-P energy: -19.084
bonds (distance) P-C4' energy: -17.207
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -12.613
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: 1, replica: 2
=====================================
Write number: 15
Temperature: 0.900000
Total energy: -246.017344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.017344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.017344 (E_RNA)
where:
Base-Base interactions energy: -154.562
where: short stacking energy: -75.774
Base-Backbone interact. energy: -0.016
local terms energy: -91.439275
where:
bonds (distance) C4'-P energy: -18.415
bonds (distance) P-C4' energy: -20.243
flat angles C4'-P-C4' energy: -19.853
flat angles P-C4'-P energy: -12.560
tors. eta vs tors. theta energy: -20.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -259.152771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.152771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.152771 (E_RNA)
where:
Base-Base interactions energy: -168.796
where: short stacking energy: -76.680
Base-Backbone interact. energy: -0.140
local terms energy: -90.216718
where:
bonds (distance) C4'-P energy: -17.334
bonds (distance) P-C4' energy: -20.185
flat angles C4'-P-C4' energy: -20.353
flat angles P-C4'-P energy: -11.450
tors. eta vs tors. theta energy: -20.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -241.493076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.493076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.493076 (E_RNA)
where:
Base-Base interactions energy: -152.318
where: short stacking energy: -66.422
Base-Backbone interact. energy: 1.117
local terms energy: -90.291758
where:
bonds (distance) C4'-P energy: -17.868
bonds (distance) P-C4' energy: -18.365
flat angles C4'-P-C4' energy: -19.399
flat angles P-C4'-P energy: -15.712
tors. eta vs tors. theta energy: -18.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -211.330280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.330280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.330280 (E_RNA)
where:
Base-Base interactions energy: -132.485
where: short stacking energy: -66.672
Base-Backbone interact. energy: -0.052
local terms energy: -78.793650
where:
bonds (distance) C4'-P energy: -16.211
bonds (distance) P-C4' energy: -16.233
flat angles C4'-P-C4' energy: -20.321
flat angles P-C4'-P energy: -8.538
tors. eta vs tors. theta energy: -17.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -123.371025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.371025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.371025 (E_RNA)
where:
Base-Base interactions energy: -47.815
where: short stacking energy: -39.213
Base-Backbone interact. energy: -0.175
local terms energy: -75.381575
where:
bonds (distance) C4'-P energy: -20.422
bonds (distance) P-C4' energy: -21.071
flat angles C4'-P-C4' energy: -17.730
flat angles P-C4'-P energy: -6.310
tors. eta vs tors. theta energy: -9.847
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: 6, replica: 4
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -143.332111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.332111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.332111 (E_RNA)
where:
Base-Base interactions energy: -70.976
where: short stacking energy: -38.430
Base-Backbone interact. energy: -0.266
local terms energy: -72.090013
where:
bonds (distance) C4'-P energy: -14.605
bonds (distance) P-C4' energy: -19.491
flat angles C4'-P-C4' energy: -17.770
flat angles P-C4'-P energy: -14.849
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: 7, replica: 7
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -102.315227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.315227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.315227 (E_RNA)
where:
Base-Base interactions energy: -36.744
where: short stacking energy: -27.618
Base-Backbone interact. energy: -0.253
local terms energy: -65.318312
where:
bonds (distance) C4'-P energy: -18.705
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -15.272
flat angles P-C4'-P energy: -11.844
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: 8, replica: 6
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -93.242060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.242060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.242060 (E_RNA)
where:
Base-Base interactions energy: -37.016
where: short stacking energy: -37.016
Base-Backbone interact. energy: -0.353
local terms energy: -55.873612
where:
bonds (distance) C4'-P energy: -19.098
bonds (distance) P-C4' energy: -15.974
flat angles C4'-P-C4' energy: -10.379
flat angles P-C4'-P energy: -8.889
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: 9, replica: 1
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -91.995522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.995522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.995522 (E_RNA)
where:
Base-Base interactions energy: -32.141
where: short stacking energy: -30.807
Base-Backbone interact. energy: -0.440
local terms energy: -59.413992
where:
bonds (distance) C4'-P energy: -16.431
bonds (distance) P-C4' energy: -18.851
flat angles C4'-P-C4' energy: -14.230
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: 0.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -86.508752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.508752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.508752 (E_RNA)
where:
Base-Base interactions energy: -30.541
where: short stacking energy: -31.057
Base-Backbone interact. energy: -0.121
local terms energy: -55.846312
where:
bonds (distance) C4'-P energy: -14.837
bonds (distance) P-C4' energy: -14.062
flat angles C4'-P-C4' energy: -14.305
flat angles P-C4'-P energy: -7.699
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: 1, replica: 5
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -277.354028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.354028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.354028 (E_RNA)
where:
Base-Base interactions energy: -182.530
where: short stacking energy: -86.093
Base-Backbone interact. energy: -0.020
local terms energy: -94.803808
where:
bonds (distance) C4'-P energy: -15.713
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -19.339
flat angles P-C4'-P energy: -16.505
tors. eta vs tors. theta energy: -25.766
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: 2
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -239.825223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.825223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.825223 (E_RNA)
where:
Base-Base interactions energy: -148.064
where: short stacking energy: -61.621
Base-Backbone interact. energy: -0.984
local terms energy: -90.777693
where:
bonds (distance) C4'-P energy: -18.808
bonds (distance) P-C4' energy: -19.414
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -14.538
tors. eta vs tors. theta energy: -21.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -247.022788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.022788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.022788 (E_RNA)
where:
Base-Base interactions energy: -163.055
where: short stacking energy: -71.500
Base-Backbone interact. energy: -0.103
local terms energy: -83.864020
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -19.645
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -13.152
tors. eta vs tors. theta energy: -19.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -197.933585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.933585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.933585 (E_RNA)
where:
Base-Base interactions energy: -108.383
where: short stacking energy: -60.436
Base-Backbone interact. energy: -0.187
local terms energy: -89.363790
where:
bonds (distance) C4'-P energy: -19.417
bonds (distance) P-C4' energy: -20.085
flat angles C4'-P-C4' energy: -17.600
flat angles P-C4'-P energy: -12.744
tors. eta vs tors. theta energy: -19.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -129.122125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.122125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.122125 (E_RNA)
where:
Base-Base interactions energy: -57.529
where: short stacking energy: -52.745
Base-Backbone interact. energy: -0.110
local terms energy: -71.482688
where:
bonds (distance) C4'-P energy: -17.291
bonds (distance) P-C4' energy: -15.229
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -13.207
tors. eta vs tors. theta energy: -10.598
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: 16
Temperature: 1.150000
Total energy: -117.431348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.431348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.431348 (E_RNA)
where:
Base-Base interactions energy: -53.991
where: short stacking energy: -44.259
Base-Backbone interact. energy: -0.781
local terms energy: -62.658796
where:
bonds (distance) C4'-P energy: -16.424
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -15.985
flat angles P-C4'-P energy: -10.992
tors. eta vs tors. theta energy: -3.869
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: 6
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -104.402068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.402068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.402068 (E_RNA)
where:
Base-Base interactions energy: -41.852
where: short stacking energy: -40.515
Base-Backbone interact. energy: -0.126
local terms energy: -62.423295
where:
bonds (distance) C4'-P energy: -17.558
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -13.149
flat angles P-C4'-P energy: -11.208
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: 8, replica: 7
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -108.922339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.922339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.922339 (E_RNA)
where:
Base-Base interactions energy: -42.545
where: short stacking energy: -19.972
Base-Backbone interact. energy: -0.329
local terms energy: -66.047848
where:
bonds (distance) C4'-P energy: -14.963
bonds (distance) P-C4' energy: -21.494
flat angles C4'-P-C4' energy: -11.051
flat angles P-C4'-P energy: -12.184
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: 9, replica: 10
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -94.637888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.637888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.637888 (E_RNA)
where:
Base-Base interactions energy: -41.876
where: short stacking energy: -29.081
Base-Backbone interact. energy: -0.746
local terms energy: -52.016121
where:
bonds (distance) C4'-P energy: -14.834
bonds (distance) P-C4' energy: -16.305
flat angles C4'-P-C4' energy: -17.841
flat angles P-C4'-P energy: -5.821
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: 10, replica: 1
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -84.805962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.805962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.805962 (E_RNA)
where:
Base-Base interactions energy: -31.065
where: short stacking energy: -31.065
Base-Backbone interact. energy: -0.353
local terms energy: -53.387858
where:
bonds (distance) C4'-P energy: -15.227
bonds (distance) P-C4' energy: -18.600
flat angles C4'-P-C4' energy: -11.888
flat angles P-C4'-P energy: -8.085
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: 1, replica: 5
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -276.283055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.283055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.283055 (E_RNA)
where:
Base-Base interactions energy: -187.102
where: short stacking energy: -83.006
Base-Backbone interact. energy: -0.273
local terms energy: -88.907947
where:
bonds (distance) C4'-P energy: -17.038
bonds (distance) P-C4' energy: -14.110
flat angles C4'-P-C4' energy: -19.005
flat angles P-C4'-P energy: -14.520
tors. eta vs tors. theta energy: -24.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -241.308328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.308328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.308328 (E_RNA)
where:
Base-Base interactions energy: -152.173
where: short stacking energy: -77.734
Base-Backbone interact. energy: -0.003
local terms energy: -89.132037
where:
bonds (distance) C4'-P energy: -17.707
bonds (distance) P-C4' energy: -20.443
flat angles C4'-P-C4' energy: -16.313
flat angles P-C4'-P energy: -13.538
tors. eta vs tors. theta energy: -21.130
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: 3
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -238.170697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.170697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.170697 (E_RNA)
where:
Base-Base interactions energy: -151.474
where: short stacking energy: -64.521
Base-Backbone interact. energy: -0.424
local terms energy: -86.273274
where:
bonds (distance) C4'-P energy: -19.176
bonds (distance) P-C4' energy: -19.396
flat angles C4'-P-C4' energy: -14.940
flat angles P-C4'-P energy: -14.387
tors. eta vs tors. theta energy: -18.375
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: 8
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -223.461980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.461980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.461980 (E_RNA)
where:
Base-Base interactions energy: -132.220
where: short stacking energy: -70.006
Base-Backbone interact. energy: -0.002
local terms energy: -91.239818
where:
bonds (distance) C4'-P energy: -14.632
bonds (distance) P-C4' energy: -20.449
flat angles C4'-P-C4' energy: -20.150
flat angles P-C4'-P energy: -13.010
tors. eta vs tors. theta energy: -22.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 17
Temperature: 1.100000
Total energy: -118.299252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.299252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.299252 (E_RNA)
where:
Base-Base interactions energy: -51.556
where: short stacking energy: -47.463
Base-Backbone interact. energy: -0.122
local terms energy: -66.620864
where:
bonds (distance) C4'-P energy: -17.211
bonds (distance) P-C4' energy: -18.219
flat angles C4'-P-C4' energy: -12.777
flat angles P-C4'-P energy: -9.194
tors. eta vs tors. theta energy: -9.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -119.105383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.105383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.105383 (E_RNA)
where:
Base-Base interactions energy: -51.116
where: short stacking energy: -42.596
Base-Backbone interact. energy: -0.360
local terms energy: -67.628823
where:
bonds (distance) C4'-P energy: -16.536
bonds (distance) P-C4' energy: -19.622
flat angles C4'-P-C4' energy: -18.342
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: -2.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -104.804108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.804108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.804108 (E_RNA)
where:
Base-Base interactions energy: -38.843
where: short stacking energy: -38.843
Base-Backbone interact. energy: -0.117
local terms energy: -65.844128
where:
bonds (distance) C4'-P energy: -17.342
bonds (distance) P-C4' energy: -15.599
flat angles C4'-P-C4' energy: -17.906
flat angles P-C4'-P energy: -8.135
tors. eta vs tors. theta energy: -6.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -108.274135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.274135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.274135 (E_RNA)
where:
Base-Base interactions energy: -48.622
where: short stacking energy: -39.920
Base-Backbone interact. energy: -0.022
local terms energy: -59.629482
where:
bonds (distance) C4'-P energy: -15.234
bonds (distance) P-C4' energy: -18.421
flat angles C4'-P-C4' energy: -8.651
flat angles P-C4'-P energy: -9.988
tors. eta vs tors. theta energy: -7.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -88.804396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.804396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.804396 (E_RNA)
where:
Base-Base interactions energy: -33.021
where: short stacking energy: -23.487
Base-Backbone interact. energy: 0.350
local terms energy: -56.133755
where:
bonds (distance) C4'-P energy: -14.579
bonds (distance) P-C4' energy: -19.280
flat angles C4'-P-C4' energy: -18.582
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: 6.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -96.243498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.243498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.243498 (E_RNA)
where:
Base-Base interactions energy: -35.080
where: short stacking energy: -33.641
Base-Backbone interact. energy: -0.322
local terms energy: -60.841298
where:
bonds (distance) C4'-P energy: -19.209
bonds (distance) P-C4' energy: -21.519
flat angles C4'-P-C4' energy: -7.929
flat angles P-C4'-P energy: -12.604
tors. eta vs tors. theta energy: 0.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -287.111644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.111644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.111644 (E_RNA)
where:
Base-Base interactions energy: -199.033
where: short stacking energy: -85.781
Base-Backbone interact. energy: -1.255
local terms energy: -86.822733
where:
bonds (distance) C4'-P energy: -17.458
bonds (distance) P-C4' energy: -14.844
flat angles C4'-P-C4' energy: -16.049
flat angles P-C4'-P energy: -13.329
tors. eta vs tors. theta energy: -25.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -229.229368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.229368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.229368 (E_RNA)
where:
Base-Base interactions energy: -143.123
where: short stacking energy: -77.437
Base-Backbone interact. energy: -0.685
local terms energy: -85.421067
where:
bonds (distance) C4'-P energy: -14.422
bonds (distance) P-C4' energy: -20.588
flat angles C4'-P-C4' energy: -21.833
flat angles P-C4'-P energy: -11.149
tors. eta vs tors. theta energy: -17.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -235.909666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.909666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.909666 (E_RNA)
where:
Base-Base interactions energy: -164.857
where: short stacking energy: -65.470
Base-Backbone interact. energy: 0.229
local terms energy: -71.281681
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -13.118
flat angles C4'-P-C4' energy: -20.663
flat angles P-C4'-P energy: -9.099
tors. eta vs tors. theta energy: -13.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -218.082780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.082780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.082780 (E_RNA)
where:
Base-Base interactions energy: -133.924
where: short stacking energy: -61.987
Base-Backbone interact. energy: -0.032
local terms energy: -84.126813
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -20.465
flat angles C4'-P-C4' energy: -21.161
flat angles P-C4'-P energy: -9.241
tors. eta vs tors. theta energy: -17.257
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: 9
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -119.710902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.710902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.710902 (E_RNA)
where:
Base-Base interactions energy: -51.619
where: short stacking energy: -45.758
Base-Backbone interact. energy: -0.459
local terms energy: -67.632495
where:
bonds (distance) C4'-P energy: -13.068
bonds (distance) P-C4' energy: -19.734
flat angles C4'-P-C4' energy: -17.664
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -6.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -106.997482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.997482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.997482 (E_RNA)
where:
Base-Base interactions energy: -41.095
where: short stacking energy: -36.296
Base-Backbone interact. energy: 1.559
local terms energy: -67.462020
where:
bonds (distance) C4'-P energy: -13.069
bonds (distance) P-C4' energy: -20.147
flat angles C4'-P-C4' energy: -17.530
flat angles P-C4'-P energy: -10.095
tors. eta vs tors. theta energy: -6.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -111.691319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.691319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.691319 (E_RNA)
where:
Base-Base interactions energy: -46.842
where: short stacking energy: -36.573
Base-Backbone interact. energy: -0.910
local terms energy: -63.939082
where:
bonds (distance) C4'-P energy: -17.817
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -14.026
flat angles P-C4'-P energy: -6.578
tors. eta vs tors. theta energy: -9.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -104.471411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.471411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.471411 (E_RNA)
where:
Base-Base interactions energy: -39.040
where: short stacking energy: -29.583
Base-Backbone interact. energy: -0.426
local terms energy: -65.005376
where:
bonds (distance) C4'-P energy: -16.307
bonds (distance) P-C4' energy: -17.158
flat angles C4'-P-C4' energy: -18.972
flat angles P-C4'-P energy: -8.871
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: 9, replica: 1
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -90.064765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.064765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.064765 (E_RNA)
where:
Base-Base interactions energy: -30.591
where: short stacking energy: -30.591
Base-Backbone interact. energy: -0.347
local terms energy: -59.126274
where:
bonds (distance) C4'-P energy: -15.943
bonds (distance) P-C4' energy: -13.131
flat angles C4'-P-C4' energy: -15.555
flat angles P-C4'-P energy: -14.578
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: 10, replica: 10
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -93.204839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.204839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.204839 (E_RNA)
where:
Base-Base interactions energy: -42.408
where: short stacking energy: -38.812
Base-Backbone interact. energy: -0.083
local terms energy: -50.713184
where:
bonds (distance) C4'-P energy: -12.329
bonds (distance) P-C4' energy: -8.690
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -12.099
tors. eta vs tors. theta energy: -2.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -287.104349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.104349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.104349 (E_RNA)
where:
Base-Base interactions energy: -196.414
where: short stacking energy: -87.124
Base-Backbone interact. energy: -0.619
local terms energy: -90.071670
where:
bonds (distance) C4'-P energy: -19.416
bonds (distance) P-C4' energy: -14.424
flat angles C4'-P-C4' energy: -16.925
flat angles P-C4'-P energy: -14.945
tors. eta vs tors. theta energy: -24.362
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: 3
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -244.446639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.446639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.446639 (E_RNA)
where:
Base-Base interactions energy: -159.018
where: short stacking energy: -68.194
Base-Backbone interact. energy: -0.091
local terms energy: -85.338138
where:
bonds (distance) C4'-P energy: -16.977
bonds (distance) P-C4' energy: -20.209
flat angles C4'-P-C4' energy: -21.486
flat angles P-C4'-P energy: -10.317
tors. eta vs tors. theta energy: -16.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -230.782504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.782504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.782504 (E_RNA)
where:
Base-Base interactions energy: -147.860
where: short stacking energy: -73.827
Base-Backbone interact. energy: 0.661
local terms energy: -83.583493
where:
bonds (distance) C4'-P energy: -10.573
bonds (distance) P-C4' energy: -16.714
flat angles C4'-P-C4' energy: -21.210
flat angles P-C4'-P energy: -14.943
tors. eta vs tors. theta energy: -20.143
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: 8
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -219.045805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.045805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.045805 (E_RNA)
where:
Base-Base interactions energy: -135.710
where: short stacking energy: -63.865
Base-Backbone interact. energy: -0.029
local terms energy: -83.307567
where:
bonds (distance) C4'-P energy: -16.237
bonds (distance) P-C4' energy: -17.876
flat angles C4'-P-C4' energy: -18.094
flat angles P-C4'-P energy: -10.616
tors. eta vs tors. theta energy: -20.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -176.683568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.683568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.683568 (E_RNA)
where:
Base-Base interactions energy: -90.790
where: short stacking energy: -49.525
Base-Backbone interact. energy: -0.035
local terms energy: -85.858594
where:
bonds (distance) C4'-P energy: -18.837
bonds (distance) P-C4' energy: -21.232
flat angles C4'-P-C4' energy: -17.893
flat angles P-C4'-P energy: -14.153
tors. eta vs tors. theta energy: -13.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -109.500798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.500798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.500798 (E_RNA)
where:
Base-Base interactions energy: -47.609
where: short stacking energy: -47.609
Base-Backbone interact. energy: -0.240
local terms energy: -61.652481
where:
bonds (distance) C4'-P energy: -19.053
bonds (distance) P-C4' energy: -15.599
flat angles C4'-P-C4' energy: -17.482
flat angles P-C4'-P energy: -4.969
tors. eta vs tors. theta energy: -4.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -110.899058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.899058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.899058 (E_RNA)
where:
Base-Base interactions energy: -50.899
where: short stacking energy: -37.924
Base-Backbone interact. energy: -0.501
local terms energy: -59.499290
where:
bonds (distance) C4'-P energy: -14.726
bonds (distance) P-C4' energy: -20.132
flat angles C4'-P-C4' energy: -13.680
flat angles P-C4'-P energy: -6.264
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: 8, replica: 1
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -96.399043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.399043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.399043 (E_RNA)
where:
Base-Base interactions energy: -29.482
where: short stacking energy: -29.782
Base-Backbone interact. energy: -0.022
local terms energy: -66.895028
where:
bonds (distance) C4'-P energy: -15.401
bonds (distance) P-C4' energy: -18.396
flat angles C4'-P-C4' energy: -12.897
flat angles P-C4'-P energy: -16.014
tors. eta vs tors. theta energy: -4.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -108.454381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.454381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.454381 (E_RNA)
where:
Base-Base interactions energy: -42.230
where: short stacking energy: -42.230
Base-Backbone interact. energy: -0.146
local terms energy: -66.078113
where:
bonds (distance) C4'-P energy: -13.198
bonds (distance) P-C4' energy: -13.462
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -12.209
tors. eta vs tors. theta energy: -11.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -98.438967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.438967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.438967 (E_RNA)
where:
Base-Base interactions energy: -37.891
where: short stacking energy: -19.712
Base-Backbone interact. energy: 0.797
local terms energy: -61.344845
where:
bonds (distance) C4'-P energy: -16.364
bonds (distance) P-C4' energy: -20.411
flat angles C4'-P-C4' energy: -14.479
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: -0.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -290.153184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.153184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.153184 (E_RNA)
where:
Base-Base interactions energy: -198.495
where: short stacking energy: -78.332
Base-Backbone interact. energy: -0.774
local terms energy: -90.884141
where:
bonds (distance) C4'-P energy: -21.230
bonds (distance) P-C4' energy: -19.132
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -12.483
tors. eta vs tors. theta energy: -21.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -234.959787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.959787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.959787 (E_RNA)
where:
Base-Base interactions energy: -150.731
where: short stacking energy: -63.029
Base-Backbone interact. energy: -0.100
local terms energy: -84.129116
where:
bonds (distance) C4'-P energy: -16.138
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -19.659
flat angles P-C4'-P energy: -13.542
tors. eta vs tors. theta energy: -16.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -227.282924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.282924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.282924 (E_RNA)
where:
Base-Base interactions energy: -132.334
where: short stacking energy: -75.021
Base-Backbone interact. energy: -1.278
local terms energy: -93.670252
where:
bonds (distance) C4'-P energy: -17.854
bonds (distance) P-C4' energy: -18.693
flat angles C4'-P-C4' energy: -21.366
flat angles P-C4'-P energy: -15.958
tors. eta vs tors. theta energy: -19.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -215.865502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.865502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.865502 (E_RNA)
where:
Base-Base interactions energy: -135.218
where: short stacking energy: -69.216
Base-Backbone interact. energy: -0.162
local terms energy: -80.485479
where:
bonds (distance) C4'-P energy: -15.417
bonds (distance) P-C4' energy: -18.219
flat angles C4'-P-C4' energy: -18.582
flat angles P-C4'-P energy: -7.944
tors. eta vs tors. theta energy: -20.324
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: 9
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -171.568968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.568968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.568968 (E_RNA)
where:
Base-Base interactions energy: -98.875
where: short stacking energy: -56.625
Base-Backbone interact. energy: -0.105
local terms energy: -72.588322
where:
bonds (distance) C4'-P energy: -17.264
bonds (distance) P-C4' energy: -17.612
flat angles C4'-P-C4' energy: -16.947
flat angles P-C4'-P energy: -6.410
tors. eta vs tors. theta energy: -14.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -121.750170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.750170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.750170 (E_RNA)
where:
Base-Base interactions energy: -60.404
where: short stacking energy: -56.783
Base-Backbone interact. energy: -0.044
local terms energy: -61.302088
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -13.029
flat angles C4'-P-C4' energy: -8.915
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -11.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -120.137662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.137662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.137662 (E_RNA)
where:
Base-Base interactions energy: -61.437
where: short stacking energy: -34.701
Base-Backbone interact. energy: -1.230
local terms energy: -57.470246
where:
bonds (distance) C4'-P energy: -18.868
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -11.657
flat angles P-C4'-P energy: -7.389
tors. eta vs tors. theta energy: -1.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -97.660917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.660917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.660917 (E_RNA)
where:
Base-Base interactions energy: -47.404
where: short stacking energy: -34.938
Base-Backbone interact. energy: -0.106
local terms energy: -50.150783
where:
bonds (distance) C4'-P energy: -16.489
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -7.610
flat angles P-C4'-P energy: -5.344
tors. eta vs tors. theta energy: -2.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -91.169332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.169332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.169332 (E_RNA)
where:
Base-Base interactions energy: -26.920
where: short stacking energy: -27.120
Base-Backbone interact. energy: -0.224
local terms energy: -64.025620
where:
bonds (distance) C4'-P energy: -17.280
bonds (distance) P-C4' energy: -18.686
flat angles C4'-P-C4' energy: -15.804
flat angles P-C4'-P energy: -9.026
tors. eta vs tors. theta energy: -3.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -93.936149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.936149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.936149 (E_RNA)
where:
Base-Base interactions energy: -34.028
where: short stacking energy: -34.028
Base-Backbone interact. energy: -0.006
local terms energy: -59.901492
where:
bonds (distance) C4'-P energy: -14.093
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -11.841
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: 1, replica: 5
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -281.875577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.875577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.875577 (E_RNA)
where:
Base-Base interactions energy: -196.844
where: short stacking energy: -73.437
Base-Backbone interact. energy: -0.046
local terms energy: -84.985475
where:
bonds (distance) C4'-P energy: -20.592
bonds (distance) P-C4' energy: -19.704
flat angles C4'-P-C4' energy: -17.068
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -18.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -224.074299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.074299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.074299 (E_RNA)
where:
Base-Base interactions energy: -141.846
where: short stacking energy: -64.362
Base-Backbone interact. energy: -0.260
local terms energy: -81.968134
where:
bonds (distance) C4'-P energy: -21.507
bonds (distance) P-C4' energy: -11.402
flat angles C4'-P-C4' energy: -19.656
flat angles P-C4'-P energy: -13.210
tors. eta vs tors. theta energy: -16.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -239.576478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.576478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.576478 (E_RNA)
where:
Base-Base interactions energy: -158.677
where: short stacking energy: -56.226
Base-Backbone interact. energy: -0.045
local terms energy: -80.855227
where:
bonds (distance) C4'-P energy: -14.573
bonds (distance) P-C4' energy: -19.405
flat angles C4'-P-C4' energy: -21.581
flat angles P-C4'-P energy: -9.119
tors. eta vs tors. theta energy: -16.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -205.759765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.759765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.759765 (E_RNA)
where:
Base-Base interactions energy: -123.998
where: short stacking energy: -77.924
Base-Backbone interact. energy: -0.008
local terms energy: -81.753463
where:
bonds (distance) C4'-P energy: -15.732
bonds (distance) P-C4' energy: -19.136
flat angles C4'-P-C4' energy: -17.282
flat angles P-C4'-P energy: -10.926
tors. eta vs tors. theta energy: -18.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -172.637445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.637445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.637445 (E_RNA)
where:
Base-Base interactions energy: -94.833
where: short stacking energy: -57.300
Base-Backbone interact. energy: 0.448
local terms energy: -78.252196
where:
bonds (distance) C4'-P energy: -12.886
bonds (distance) P-C4' energy: -19.890
flat angles C4'-P-C4' energy: -20.049
flat angles P-C4'-P energy: -11.659
tors. eta vs tors. theta energy: -13.768
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: 21
Temperature: 1.150000
Total energy: -101.051311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.051311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.051311 (E_RNA)
where:
Base-Base interactions energy: -39.109
where: short stacking energy: -35.794
Base-Backbone interact. energy: -0.217
local terms energy: -61.725336
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -17.637
flat angles C4'-P-C4' energy: -13.492
flat angles P-C4'-P energy: -6.827
tors. eta vs tors. theta energy: -8.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -113.543225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.543225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.543225 (E_RNA)
where:
Base-Base interactions energy: -50.237
where: short stacking energy: -45.620
Base-Backbone interact. energy: -0.109
local terms energy: -63.197216
where:
bonds (distance) C4'-P energy: -16.063
bonds (distance) P-C4' energy: -16.565
flat angles C4'-P-C4' energy: -12.226
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -9.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -140.089951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.089951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.089951 (E_RNA)
where:
Base-Base interactions energy: -79.034
where: short stacking energy: -37.613
Base-Backbone interact. energy: -0.676
local terms energy: -60.380251
where:
bonds (distance) C4'-P energy: -9.359
bonds (distance) P-C4' energy: -17.527
flat angles C4'-P-C4' energy: -15.327
flat angles P-C4'-P energy: -9.524
tors. eta vs tors. theta energy: -8.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -97.130284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.130284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.130284 (E_RNA)
where:
Base-Base interactions energy: -33.200
where: short stacking energy: -33.200
Base-Backbone interact. energy: -0.055
local terms energy: -63.875310
where:
bonds (distance) C4'-P energy: -15.793
bonds (distance) P-C4' energy: -17.764
flat angles C4'-P-C4' energy: -10.853
flat angles P-C4'-P energy: -11.451
tors. eta vs tors. theta energy: -8.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -100.534796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.534796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.534796 (E_RNA)
where:
Base-Base interactions energy: -35.985
where: short stacking energy: -19.070
Base-Backbone interact. energy: -0.194
local terms energy: -64.355401
where:
bonds (distance) C4'-P energy: -16.804
bonds (distance) P-C4' energy: -17.747
flat angles C4'-P-C4' energy: -18.519
flat angles P-C4'-P energy: -14.493
tors. eta vs tors. theta energy: 3.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -284.777638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.777638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.777638 (E_RNA)
where:
Base-Base interactions energy: -198.763
where: short stacking energy: -77.360
Base-Backbone interact. energy: -0.961
local terms energy: -85.053513
where:
bonds (distance) C4'-P energy: -17.913
bonds (distance) P-C4' energy: -15.359
flat angles C4'-P-C4' energy: -17.729
flat angles P-C4'-P energy: -12.952
tors. eta vs tors. theta energy: -21.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -239.187119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.187119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.187119 (E_RNA)
where:
Base-Base interactions energy: -153.844
where: short stacking energy: -66.090
Base-Backbone interact. energy: -0.417
local terms energy: -84.925600
where:
bonds (distance) C4'-P energy: -17.983
bonds (distance) P-C4' energy: -19.260
flat angles C4'-P-C4' energy: -17.557
flat angles P-C4'-P energy: -15.922
tors. eta vs tors. theta energy: -14.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -231.237976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.237976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.237976 (E_RNA)
where:
Base-Base interactions energy: -152.058
where: short stacking energy: -51.514
Base-Backbone interact. energy: 0.135
local terms energy: -79.315831
where:
bonds (distance) C4'-P energy: -20.344
bonds (distance) P-C4' energy: -17.777
flat angles C4'-P-C4' energy: -12.871
flat angles P-C4'-P energy: -12.127
tors. eta vs tors. theta energy: -16.197
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: 22
Temperature: 1.050000
Total energy: -207.733646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.733646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.733646 (E_RNA)
where:
Base-Base interactions energy: -122.983
where: short stacking energy: -63.255
Base-Backbone interact. energy: -0.577
local terms energy: -84.173624
where:
bonds (distance) C4'-P energy: -16.972
bonds (distance) P-C4' energy: -14.045
flat angles C4'-P-C4' energy: -18.721
flat angles P-C4'-P energy: -12.629
tors. eta vs tors. theta energy: -21.807
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: 9
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -150.723906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.723906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.723906 (E_RNA)
where:
Base-Base interactions energy: -88.774
where: short stacking energy: -45.588
Base-Backbone interact. energy: -0.081
local terms energy: -61.868872
where:
bonds (distance) C4'-P energy: -18.278
bonds (distance) P-C4' energy: -16.764
flat angles C4'-P-C4' energy: -10.976
flat angles P-C4'-P energy: -6.221
tors. eta vs tors. theta energy: -9.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -110.655857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.655857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.655857 (E_RNA)
where:
Base-Base interactions energy: -49.598
where: short stacking energy: -31.447
Base-Backbone interact. energy: -0.179
local terms energy: -60.878081
where:
bonds (distance) C4'-P energy: -17.590
bonds (distance) P-C4' energy: -15.835
flat angles C4'-P-C4' energy: -13.324
flat angles P-C4'-P energy: -11.117
tors. eta vs tors. theta energy: -3.012
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: 10
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -154.268997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.268997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.268997 (E_RNA)
where:
Base-Base interactions energy: -86.509
where: short stacking energy: -37.804
Base-Backbone interact. energy: -1.036
local terms energy: -66.724254
where:
bonds (distance) C4'-P energy: -14.613
bonds (distance) P-C4' energy: -13.139
flat angles C4'-P-C4' energy: -15.783
flat angles P-C4'-P energy: -9.805
tors. eta vs tors. theta energy: -13.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -118.710735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.710735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.710735 (E_RNA)
where:
Base-Base interactions energy: -47.970
where: short stacking energy: -47.970
Base-Backbone interact. energy: -0.244
local terms energy: -70.496899
where:
bonds (distance) C4'-P energy: -17.529
bonds (distance) P-C4' energy: -20.584
flat angles C4'-P-C4' energy: -10.988
flat angles P-C4'-P energy: -8.983
tors. eta vs tors. theta energy: -12.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -92.931168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.931168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.931168 (E_RNA)
where:
Base-Base interactions energy: -29.014
where: short stacking energy: -22.307
Base-Backbone interact. energy: -0.121
local terms energy: -63.795809
where:
bonds (distance) C4'-P energy: -16.058
bonds (distance) P-C4' energy: -18.227
flat angles C4'-P-C4' energy: -20.571
flat angles P-C4'-P energy: -7.884
tors. eta vs tors. theta energy: -1.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -95.883698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.883698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.883698 (E_RNA)
where:
Base-Base interactions energy: -41.943
where: short stacking energy: -28.649
Base-Backbone interact. energy: -0.532
local terms energy: -53.408881
where:
bonds (distance) C4'-P energy: -15.628
bonds (distance) P-C4' energy: -19.260
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -2.451
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: 1, replica: 5
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -285.343093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.343093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.343093 (E_RNA)
where:
Base-Base interactions energy: -191.613
where: short stacking energy: -70.113
Base-Backbone interact. energy: -0.068
local terms energy: -93.661867
where:
bonds (distance) C4'-P energy: -17.185
bonds (distance) P-C4' energy: -23.379
flat angles C4'-P-C4' energy: -20.294
flat angles P-C4'-P energy: -9.036
tors. eta vs tors. theta energy: -23.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -247.511255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.511255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.511255 (E_RNA)
where:
Base-Base interactions energy: -163.655
where: short stacking energy: -62.991
Base-Backbone interact. energy: -1.053
local terms energy: -82.803074
where:
bonds (distance) C4'-P energy: -19.892
bonds (distance) P-C4' energy: -21.049
flat angles C4'-P-C4' energy: -19.073
flat angles P-C4'-P energy: -11.466
tors. eta vs tors. theta energy: -11.322
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: 8
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -234.491435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.491435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.491435 (E_RNA)
where:
Base-Base interactions energy: -149.369
where: short stacking energy: -55.961
Base-Backbone interact. energy: -0.179
local terms energy: -84.944091
where:
bonds (distance) C4'-P energy: -20.290
bonds (distance) P-C4' energy: -20.038
flat angles C4'-P-C4' energy: -17.868
flat angles P-C4'-P energy: -11.411
tors. eta vs tors. theta energy: -15.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -188.273214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.273214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.273214 (E_RNA)
where:
Base-Base interactions energy: -118.015
where: short stacking energy: -64.323
Base-Backbone interact. energy: 0.489
local terms energy: -70.746298
where:
bonds (distance) C4'-P energy: -16.457
bonds (distance) P-C4' energy: -21.045
flat angles C4'-P-C4' energy: -8.371
flat angles P-C4'-P energy: -8.561
tors. eta vs tors. theta energy: -16.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -176.592697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.592697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.592697 (E_RNA)
where:
Base-Base interactions energy: -103.162
where: short stacking energy: -51.533
Base-Backbone interact. energy: -0.246
local terms energy: -73.184411
where:
bonds (distance) C4'-P energy: -18.683
bonds (distance) P-C4' energy: -17.928
flat angles C4'-P-C4' energy: -13.296
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -13.494
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: 6, replica: 10
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -182.821624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.821624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.821624 (E_RNA)
where:
Base-Base interactions energy: -111.707
where: short stacking energy: -57.596
Base-Backbone interact. energy: -0.836
local terms energy: -70.278982
where:
bonds (distance) C4'-P energy: -13.885
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -17.257
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: -14.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -113.421610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.421610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.421610 (E_RNA)
where:
Base-Base interactions energy: -54.453
where: short stacking energy: -29.940
Base-Backbone interact. energy: 1.388
local terms energy: -60.356612
where:
bonds (distance) C4'-P energy: -17.732
bonds (distance) P-C4' energy: -16.504
flat angles C4'-P-C4' energy: -9.264
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: -6.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 23
Temperature: 1.250000
Total energy: -98.532840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.532840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.532840 (E_RNA)
where:
Base-Base interactions energy: -42.763
where: short stacking energy: -42.763
Base-Backbone interact. energy: -0.134
local terms energy: -55.636034
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -9.114
flat angles P-C4'-P energy: -10.844
tors. eta vs tors. theta energy: -8.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -91.823415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.823415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.823415 (E_RNA)
where:
Base-Base interactions energy: -36.053
where: short stacking energy: -33.199
Base-Backbone interact. energy: 0.461
local terms energy: -56.231381
where:
bonds (distance) C4'-P energy: -14.336
bonds (distance) P-C4' energy: -14.045
flat angles C4'-P-C4' energy: -16.879
flat angles P-C4'-P energy: -8.125
tors. eta vs tors. theta energy: -2.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -89.776079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.776079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.776079 (E_RNA)
where:
Base-Base interactions energy: -29.026
where: short stacking energy: -25.646
Base-Backbone interact. energy: -0.157
local terms energy: -60.593077
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -20.679
flat angles C4'-P-C4' energy: -14.892
flat angles P-C4'-P energy: -9.265
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: 3
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -250.822652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.822652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.822652 (E_RNA)
where:
Base-Base interactions energy: -170.187
where: short stacking energy: -69.516
Base-Backbone interact. energy: -0.342
local terms energy: -80.293482
where:
bonds (distance) C4'-P energy: -20.044
bonds (distance) P-C4' energy: -17.428
flat angles C4'-P-C4' energy: -17.883
flat angles P-C4'-P energy: -7.817
tors. eta vs tors. theta energy: -17.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -282.065660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.065660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.065660 (E_RNA)
where:
Base-Base interactions energy: -188.522
where: short stacking energy: -79.682
Base-Backbone interact. energy: -0.476
local terms energy: -93.067396
where:
bonds (distance) C4'-P energy: -19.546
bonds (distance) P-C4' energy: -17.489
flat angles C4'-P-C4' energy: -20.682
flat angles P-C4'-P energy: -13.832
tors. eta vs tors. theta energy: -21.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -219.974269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.974269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.974269 (E_RNA)
where:
Base-Base interactions energy: -137.649
where: short stacking energy: -61.308
Base-Backbone interact. energy: -0.925
local terms energy: -81.400528
where:
bonds (distance) C4'-P energy: -17.830
bonds (distance) P-C4' energy: -12.062
flat angles C4'-P-C4' energy: -18.483
flat angles P-C4'-P energy: -12.852
tors. eta vs tors. theta energy: -20.173
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: 4, replica: 2
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -202.207246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.207246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.207246 (E_RNA)
where:
Base-Base interactions energy: -122.599
where: short stacking energy: -56.453
Base-Backbone interact. energy: -0.453
local terms energy: -79.155019
where:
bonds (distance) C4'-P energy: -12.879
bonds (distance) P-C4' energy: -17.311
flat angles C4'-P-C4' energy: -19.432
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -18.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -210.763340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.763340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.763340 (E_RNA)
where:
Base-Base interactions energy: -140.066
where: short stacking energy: -59.569
Base-Backbone interact. energy: -1.037
local terms energy: -69.659627
where:
bonds (distance) C4'-P energy: -18.886
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -12.776
flat angles P-C4'-P energy: -8.051
tors. eta vs tors. theta energy: -12.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -153.139347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.139347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.139347 (E_RNA)
where:
Base-Base interactions energy: -78.176
where: short stacking energy: -45.293
Base-Backbone interact. energy: -0.629
local terms energy: -74.335143
where:
bonds (distance) C4'-P energy: -19.225
bonds (distance) P-C4' energy: -18.933
flat angles C4'-P-C4' energy: -18.650
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -7.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -158.517765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.517765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.517765 (E_RNA)
where:
Base-Base interactions energy: -92.899
where: short stacking energy: -49.549
Base-Backbone interact. energy: -0.911
local terms energy: -64.708148
where:
bonds (distance) C4'-P energy: -21.093
bonds (distance) P-C4' energy: -11.700
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -11.259
tors. eta vs tors. theta energy: -7.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -95.140642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.140642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.140642 (E_RNA)
where:
Base-Base interactions energy: -39.080
where: short stacking energy: -38.880
Base-Backbone interact. energy: 2.203
local terms energy: -58.264362
where:
bonds (distance) C4'-P energy: -9.625
bonds (distance) P-C4' energy: -18.501
flat angles C4'-P-C4' energy: -14.998
flat angles P-C4'-P energy: -9.312
tors. eta vs tors. theta energy: -5.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -100.089659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.089659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.089659 (E_RNA)
where:
Base-Base interactions energy: -27.567
where: short stacking energy: -26.199
Base-Backbone interact. energy: 0.563
local terms energy: -73.085899
where:
bonds (distance) C4'-P energy: -18.852
bonds (distance) P-C4' energy: -20.505
flat angles C4'-P-C4' energy: -17.082
flat angles P-C4'-P energy: -10.709
tors. eta vs tors. theta energy: -5.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -93.756031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.756031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.756031 (E_RNA)
where:
Base-Base interactions energy: -46.706
where: short stacking energy: -29.831
Base-Backbone interact. energy: -0.952
local terms energy: -46.097651
where:
bonds (distance) C4'-P energy: -10.138
bonds (distance) P-C4' energy: -14.121
flat angles C4'-P-C4' energy: -8.772
flat angles P-C4'-P energy: -6.943
tors. eta vs tors. theta energy: -6.124
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: 3
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -243.849162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.849162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.849162 (E_RNA)
where:
Base-Base interactions energy: -167.711
where: short stacking energy: -65.965
Base-Backbone interact. energy: -0.085
local terms energy: -76.053621
where:
bonds (distance) C4'-P energy: -18.728
bonds (distance) P-C4' energy: -17.490
flat angles C4'-P-C4' energy: -18.393
flat angles P-C4'-P energy: -7.130
tors. eta vs tors. theta energy: -14.313
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: 2, replica: 5
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -285.995982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.995982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.995982 (E_RNA)
where:
Base-Base interactions energy: -190.439
where: short stacking energy: -73.517
Base-Backbone interact. energy: -0.419
local terms energy: -95.137685
where:
bonds (distance) C4'-P energy: -18.642
bonds (distance) P-C4' energy: -20.087
flat angles C4'-P-C4' energy: -14.906
flat angles P-C4'-P energy: -16.875
tors. eta vs tors. theta energy: -24.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -225.946863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.946863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.946863 (E_RNA)
where:
Base-Base interactions energy: -137.460
where: short stacking energy: -54.569
Base-Backbone interact. energy: 0.479
local terms energy: -88.966496
where:
bonds (distance) C4'-P energy: -19.693
bonds (distance) P-C4' energy: -22.610
flat angles C4'-P-C4' energy: -17.408
flat angles P-C4'-P energy: -13.868
tors. eta vs tors. theta energy: -15.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -237.253106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.253106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.253106 (E_RNA)
where:
Base-Base interactions energy: -157.925
where: short stacking energy: -61.341
Base-Backbone interact. energy: -0.984
local terms energy: -78.344032
where:
bonds (distance) C4'-P energy: -17.888
bonds (distance) P-C4' energy: -18.273
flat angles C4'-P-C4' energy: -17.249
flat angles P-C4'-P energy: -11.266
tors. eta vs tors. theta energy: -13.667
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: 2
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -207.508606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.508606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.508606 (E_RNA)
where:
Base-Base interactions energy: -131.510
where: short stacking energy: -69.377
Base-Backbone interact. energy: -0.166
local terms energy: -75.832278
where:
bonds (distance) C4'-P energy: -10.842
bonds (distance) P-C4' energy: -18.260
flat angles C4'-P-C4' energy: -17.812
flat angles P-C4'-P energy: -10.120
tors. eta vs tors. theta energy: -18.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -156.434216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.434216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.434216 (E_RNA)
where:
Base-Base interactions energy: -83.630
where: short stacking energy: -48.566
Base-Backbone interact. energy: -2.150
local terms energy: -70.653683
where:
bonds (distance) C4'-P energy: -17.903
bonds (distance) P-C4' energy: -19.516
flat angles C4'-P-C4' energy: -15.216
flat angles P-C4'-P energy: -5.885
tors. eta vs tors. theta energy: -12.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -170.988357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.988357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.988357 (E_RNA)
where:
Base-Base interactions energy: -97.360
where: short stacking energy: -59.000
Base-Backbone interact. energy: -0.749
local terms energy: -72.879540
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -13.209
flat angles P-C4'-P energy: -14.526
tors. eta vs tors. theta energy: -15.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -109.147351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.147351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.147351 (E_RNA)
where:
Base-Base interactions energy: -39.883
where: short stacking energy: -34.488
Base-Backbone interact. energy: -0.699
local terms energy: -68.565857
where:
bonds (distance) C4'-P energy: -19.465
bonds (distance) P-C4' energy: -18.396
flat angles C4'-P-C4' energy: -17.421
flat angles P-C4'-P energy: -8.867
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: 9, replica: 1
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -98.101420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.101420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.101420 (E_RNA)
where:
Base-Base interactions energy: -36.258
where: short stacking energy: -34.842
Base-Backbone interact. energy: -0.140
local terms energy: -61.703330
where:
bonds (distance) C4'-P energy: -12.147
bonds (distance) P-C4' energy: -18.030
flat angles C4'-P-C4' energy: -17.432
flat angles P-C4'-P energy: -10.611
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: 10, replica: 6
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -105.219562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.219562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.219562 (E_RNA)
where:
Base-Base interactions energy: -47.761
where: short stacking energy: -29.606
Base-Backbone interact. energy: 0.624
local terms energy: -58.081930
where:
bonds (distance) C4'-P energy: -13.364
bonds (distance) P-C4' energy: -14.398
flat angles C4'-P-C4' energy: -13.920
flat angles P-C4'-P energy: -11.192
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: 1, replica: 3
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -253.138654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.138654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.138654 (E_RNA)
where:
Base-Base interactions energy: -170.899
where: short stacking energy: -68.846
Base-Backbone interact. energy: 0.405
local terms energy: -82.644515
where:
bonds (distance) C4'-P energy: -20.775
bonds (distance) P-C4' energy: -18.819
flat angles C4'-P-C4' energy: -17.557
flat angles P-C4'-P energy: -9.654
tors. eta vs tors. theta energy: -15.839
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: 26
Temperature: 0.950000
Total energy: -280.994590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.994590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.994590 (E_RNA)
where:
Base-Base interactions energy: -192.376
where: short stacking energy: -81.675
Base-Backbone interact. energy: -0.220
local terms energy: -88.398078
where:
bonds (distance) C4'-P energy: -13.818
bonds (distance) P-C4' energy: -16.744
flat angles C4'-P-C4' energy: -20.627
flat angles P-C4'-P energy: -10.864
tors. eta vs tors. theta energy: -26.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -256.888863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.888863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.888863 (E_RNA)
where:
Base-Base interactions energy: -169.969
where: short stacking energy: -65.383
Base-Backbone interact. energy: 0.482
local terms energy: -87.401607
where:
bonds (distance) C4'-P energy: -17.594
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -20.588
flat angles P-C4'-P energy: -11.199
tors. eta vs tors. theta energy: -19.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -221.476158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.476158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.476158 (E_RNA)
where:
Base-Base interactions energy: -132.720
where: short stacking energy: -70.308
Base-Backbone interact. energy: -0.100
local terms energy: -88.655649
where:
bonds (distance) C4'-P energy: -20.874
bonds (distance) P-C4' energy: -15.535
flat angles C4'-P-C4' energy: -19.673
flat angles P-C4'-P energy: -13.167
tors. eta vs tors. theta energy: -19.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -215.049014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.049014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.049014 (E_RNA)
where:
Base-Base interactions energy: -136.536
where: short stacking energy: -68.173
Base-Backbone interact. energy: -0.000
local terms energy: -78.512211
where:
bonds (distance) C4'-P energy: -13.973
bonds (distance) P-C4' energy: -21.377
flat angles C4'-P-C4' energy: -12.617
flat angles P-C4'-P energy: -10.250
tors. eta vs tors. theta energy: -20.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -153.475569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.475569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.475569 (E_RNA)
where:
Base-Base interactions energy: -79.571
where: short stacking energy: -49.534
Base-Backbone interact. energy: 0.729
local terms energy: -74.633218
where:
bonds (distance) C4'-P energy: -17.594
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -18.901
flat angles P-C4'-P energy: -15.149
tors. eta vs tors. theta energy: -7.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -143.102676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.102676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.102676 (E_RNA)
where:
Base-Base interactions energy: -79.619
where: short stacking energy: -39.550
Base-Backbone interact. energy: -0.227
local terms energy: -63.256820
where:
bonds (distance) C4'-P energy: -19.031
bonds (distance) P-C4' energy: -9.053
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: -9.866
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: 4
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -112.150871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.150871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.150871 (E_RNA)
where:
Base-Base interactions energy: -51.490
where: short stacking energy: -35.362
Base-Backbone interact. energy: 0.780
local terms energy: -61.441736
where:
bonds (distance) C4'-P energy: -17.901
bonds (distance) P-C4' energy: -16.674
flat angles C4'-P-C4' energy: -15.623
flat angles P-C4'-P energy: -11.467
tors. eta vs tors. theta energy: 0.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -93.446839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.446839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.446839 (E_RNA)
where:
Base-Base interactions energy: -33.436
where: short stacking energy: -31.508
Base-Backbone interact. energy: -0.262
local terms energy: -59.748988
where:
bonds (distance) C4'-P energy: -18.749
bonds (distance) P-C4' energy: -19.774
flat angles C4'-P-C4' energy: -11.812
flat angles P-C4'-P energy: -7.124
tors. eta vs tors. theta energy: -2.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -81.478256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.478256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.478256 (E_RNA)
where:
Base-Base interactions energy: -25.823
where: short stacking energy: -22.746
Base-Backbone interact. energy: -0.814
local terms energy: -54.840559
where:
bonds (distance) C4'-P energy: -14.468
bonds (distance) P-C4' energy: -13.367
flat angles C4'-P-C4' energy: -13.626
flat angles P-C4'-P energy: -13.364
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: 1, replica: 3
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -247.035492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.035492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.035492 (E_RNA)
where:
Base-Base interactions energy: -165.761
where: short stacking energy: -65.443
Base-Backbone interact. energy: -0.105
local terms energy: -81.169717
where:
bonds (distance) C4'-P energy: -17.724
bonds (distance) P-C4' energy: -17.472
flat angles C4'-P-C4' energy: -20.323
flat angles P-C4'-P energy: -12.397
tors. eta vs tors. theta energy: -13.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -285.046236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.046236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.046236 (E_RNA)
where:
Base-Base interactions energy: -194.251
where: short stacking energy: -76.805
Base-Backbone interact. energy: -0.179
local terms energy: -90.616319
where:
bonds (distance) C4'-P energy: -18.185
bonds (distance) P-C4' energy: -17.820
flat angles C4'-P-C4' energy: -19.014
flat angles P-C4'-P energy: -13.690
tors. eta vs tors. theta energy: -21.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -282.432732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.432732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.432732 (E_RNA)
where:
Base-Base interactions energy: -193.480
where: short stacking energy: -80.454
Base-Backbone interact. energy: -1.431
local terms energy: -87.521401
where:
bonds (distance) C4'-P energy: -17.281
bonds (distance) P-C4' energy: -17.282
flat angles C4'-P-C4' energy: -17.040
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: -25.743
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: 2
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -199.972971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.972971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.972971 (E_RNA)
where:
Base-Base interactions energy: -118.214
where: short stacking energy: -59.011
Base-Backbone interact. energy: 0.248
local terms energy: -82.006953
where:
bonds (distance) C4'-P energy: -17.362
bonds (distance) P-C4' energy: -18.472
flat angles C4'-P-C4' energy: -19.761
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: -16.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -197.305744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.305744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.305744 (E_RNA)
where:
Base-Base interactions energy: -120.531
where: short stacking energy: -60.873
Base-Backbone interact. energy: -0.086
local terms energy: -76.688889
where:
bonds (distance) C4'-P energy: -17.594
bonds (distance) P-C4' energy: -16.596
flat angles C4'-P-C4' energy: -17.206
flat angles P-C4'-P energy: -9.416
tors. eta vs tors. theta energy: -15.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -177.007685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.007685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.007685 (E_RNA)
where:
Base-Base interactions energy: -115.408
where: short stacking energy: -47.102
Base-Backbone interact. energy: -0.740
local terms energy: -60.859384
where:
bonds (distance) C4'-P energy: -14.551
bonds (distance) P-C4' energy: -18.753
flat angles C4'-P-C4' energy: -7.968
flat angles P-C4'-P energy: -10.493
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: 7, replica: 9
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -140.777686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.777686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.777686 (E_RNA)
where:
Base-Base interactions energy: -72.844
where: short stacking energy: -45.432
Base-Backbone interact. energy: 0.495
local terms energy: -68.429012
where:
bonds (distance) C4'-P energy: -14.266
bonds (distance) P-C4' energy: -21.054
flat angles C4'-P-C4' energy: -17.862
flat angles P-C4'-P energy: -6.234
tors. eta vs tors. theta energy: -9.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -92.307426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.307426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.307426 (E_RNA)
where:
Base-Base interactions energy: -36.743
where: short stacking energy: -33.523
Base-Backbone interact. energy: -0.211
local terms energy: -55.353236
where:
bonds (distance) C4'-P energy: -13.529
bonds (distance) P-C4' energy: -17.564
flat angles C4'-P-C4' energy: -13.802
flat angles P-C4'-P energy: -12.036
tors. eta vs tors. theta energy: 1.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -103.536174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.536174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.536174 (E_RNA)
where:
Base-Base interactions energy: -35.692
where: short stacking energy: -35.692
Base-Backbone interact. energy: -0.139
local terms energy: -67.705150
where:
bonds (distance) C4'-P energy: -16.072
bonds (distance) P-C4' energy: -17.325
flat angles C4'-P-C4' energy: -15.255
flat angles P-C4'-P energy: -12.808
tors. eta vs tors. theta energy: -6.246
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: 6
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -85.377877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.377877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.377877 (E_RNA)
where:
Base-Base interactions energy: -31.636
where: short stacking energy: -27.199
Base-Backbone interact. energy: 0.750
local terms energy: -54.492278
where:
bonds (distance) C4'-P energy: -17.048
bonds (distance) P-C4' energy: -15.768
flat angles C4'-P-C4' energy: -15.909
flat angles P-C4'-P energy: -5.998
tors. eta vs tors. theta energy: 0.231
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: 1, replica: 10
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -291.014825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.014825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.014825 (E_RNA)
where:
Base-Base interactions energy: -197.959
where: short stacking energy: -74.581
Base-Backbone interact. energy: 0.945
local terms energy: -94.001526
where:
bonds (distance) C4'-P energy: -16.714
bonds (distance) P-C4' energy: -16.926
flat angles C4'-P-C4' energy: -20.015
flat angles P-C4'-P energy: -17.146
tors. eta vs tors. theta energy: -23.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -237.100451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.100451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.100451 (E_RNA)
where:
Base-Base interactions energy: -163.161
where: short stacking energy: -61.652
Base-Backbone interact. energy: -0.245
local terms energy: -73.693943
where:
bonds (distance) C4'-P energy: -15.636
bonds (distance) P-C4' energy: -19.725
flat angles C4'-P-C4' energy: -14.467
flat angles P-C4'-P energy: -12.449
tors. eta vs tors. theta energy: -11.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -293.030838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.030838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.030838 (E_RNA)
where:
Base-Base interactions energy: -208.044
where: short stacking energy: -78.448
Base-Backbone interact. energy: -0.317
local terms energy: -84.669785
where:
bonds (distance) C4'-P energy: -18.272
bonds (distance) P-C4' energy: -17.851
flat angles C4'-P-C4' energy: -20.982
flat angles P-C4'-P energy: -7.738
tors. eta vs tors. theta energy: -19.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -197.585031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.585031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.585031 (E_RNA)
where:
Base-Base interactions energy: -125.506
where: short stacking energy: -53.809
Base-Backbone interact. energy: -1.126
local terms energy: -70.952813
where:
bonds (distance) C4'-P energy: -13.106
bonds (distance) P-C4' energy: -12.105
flat angles C4'-P-C4' energy: -20.638
flat angles P-C4'-P energy: -11.594
tors. eta vs tors. theta energy: -13.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -187.847243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.847243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.847243 (E_RNA)
where:
Base-Base interactions energy: -118.677
where: short stacking energy: -48.807
Base-Backbone interact. energy: -0.102
local terms energy: -69.068387
where:
bonds (distance) C4'-P energy: -16.843
bonds (distance) P-C4' energy: -11.706
flat angles C4'-P-C4' energy: -17.640
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: -13.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -137.313355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.313355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.313355 (E_RNA)
where:
Base-Base interactions energy: -65.556
where: short stacking energy: -34.749
Base-Backbone interact. energy: -0.407
local terms energy: -71.350715
where:
bonds (distance) C4'-P energy: -17.606
bonds (distance) P-C4' energy: -18.279
flat angles C4'-P-C4' energy: -18.598
flat angles P-C4'-P energy: -11.785
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: 7, replica: 9
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -154.513529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.513529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.513529 (E_RNA)
where:
Base-Base interactions energy: -79.649
where: short stacking energy: -45.389
Base-Backbone interact. energy: -0.323
local terms energy: -74.541709
where:
bonds (distance) C4'-P energy: -15.530
bonds (distance) P-C4' energy: -19.985
flat angles C4'-P-C4' energy: -12.757
flat angles P-C4'-P energy: -16.020
tors. eta vs tors. theta energy: -10.249
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: 1
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -94.234260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.234260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.234260 (E_RNA)
where:
Base-Base interactions energy: -40.996
where: short stacking energy: -34.608
Base-Backbone interact. energy: -0.512
local terms energy: -52.727143
where:
bonds (distance) C4'-P energy: -16.556
bonds (distance) P-C4' energy: -14.273
flat angles C4'-P-C4' energy: -18.934
flat angles P-C4'-P energy: -2.136
tors. eta vs tors. theta energy: -0.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -87.610622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.610622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.610622 (E_RNA)
where:
Base-Base interactions energy: -41.817
where: short stacking energy: -26.090
Base-Backbone interact. energy: -0.314
local terms energy: -45.480120
where:
bonds (distance) C4'-P energy: -11.120
bonds (distance) P-C4' energy: -16.503
flat angles C4'-P-C4' energy: -8.541
flat angles P-C4'-P energy: -9.711
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: 4
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -85.557776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.557776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.557776 (E_RNA)
where:
Base-Base interactions energy: -26.876
where: short stacking energy: -25.426
Base-Backbone interact. energy: -0.842
local terms energy: -57.839682
where:
bonds (distance) C4'-P energy: -16.022
bonds (distance) P-C4' energy: -18.415
flat angles C4'-P-C4' energy: -14.059
flat angles P-C4'-P energy: -10.974
tors. eta vs tors. theta energy: 1.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -295.845855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.845855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.845855 (E_RNA)
where:
Base-Base interactions energy: -204.583
where: short stacking energy: -81.844
Base-Backbone interact. energy: -0.113
local terms energy: -91.149547
where:
bonds (distance) C4'-P energy: -17.751
bonds (distance) P-C4' energy: -18.958
flat angles C4'-P-C4' energy: -18.634
flat angles P-C4'-P energy: -13.202
tors. eta vs tors. theta energy: -22.604
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: 5
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -287.539462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.539462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.539462 (E_RNA)
where:
Base-Base interactions energy: -195.653
where: short stacking energy: -74.454
Base-Backbone interact. energy: -1.102
local terms energy: -90.784184
where:
bonds (distance) C4'-P energy: -19.516
bonds (distance) P-C4' energy: -17.994
flat angles C4'-P-C4' energy: -16.764
flat angles P-C4'-P energy: -13.810
tors. eta vs tors. theta energy: -22.700
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: 29
Temperature: 1.000000
Total energy: -220.055526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.055526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.055526 (E_RNA)
where:
Base-Base interactions energy: -139.920
where: short stacking energy: -65.391
Base-Backbone interact. energy: -0.312
local terms energy: -79.824042
where:
bonds (distance) C4'-P energy: -16.087
bonds (distance) P-C4' energy: -14.148
flat angles C4'-P-C4' energy: -17.899
flat angles P-C4'-P energy: -15.548
tors. eta vs tors. theta energy: -16.143
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: 8
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -220.832105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.832105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.832105 (E_RNA)
where:
Base-Base interactions energy: -135.280
where: short stacking energy: -71.042
Base-Backbone interact. energy: -0.003
local terms energy: -85.549246
where:
bonds (distance) C4'-P energy: -17.136
bonds (distance) P-C4' energy: -15.083
flat angles C4'-P-C4' energy: -18.564
flat angles P-C4'-P energy: -16.728
tors. eta vs tors. theta energy: -18.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -192.653371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.653371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.653371 (E_RNA)
where:
Base-Base interactions energy: -103.146
where: short stacking energy: -51.653
Base-Backbone interact. energy: -0.037
local terms energy: -89.469920
where:
bonds (distance) C4'-P energy: -17.002
bonds (distance) P-C4' energy: -19.016
flat angles C4'-P-C4' energy: -21.437
flat angles P-C4'-P energy: -14.522
tors. eta vs tors. theta energy: -17.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -133.210576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.210576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.210576 (E_RNA)
where:
Base-Base interactions energy: -62.717
where: short stacking energy: -34.663
Base-Backbone interact. energy: -0.177
local terms energy: -70.316476
where:
bonds (distance) C4'-P energy: -21.648
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -19.658
flat angles P-C4'-P energy: -10.335
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: 7, replica: 7
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -158.746876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.746876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.746876 (E_RNA)
where:
Base-Base interactions energy: -91.583
where: short stacking energy: -39.890
Base-Backbone interact. energy: -0.021
local terms energy: -67.142787
where:
bonds (distance) C4'-P energy: -15.302
bonds (distance) P-C4' energy: -18.961
flat angles C4'-P-C4' energy: -19.273
flat angles P-C4'-P energy: -12.824
tors. eta vs tors. theta energy: -0.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -106.030130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.030130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.030130 (E_RNA)
where:
Base-Base interactions energy: -39.362
where: short stacking energy: -38.618
Base-Backbone interact. energy: -0.126
local terms energy: -66.542292
where:
bonds (distance) C4'-P energy: -19.718
bonds (distance) P-C4' energy: -16.176
flat angles C4'-P-C4' energy: -19.221
flat angles P-C4'-P energy: -6.855
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: 9, replica: 6
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -98.369391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.369391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.369391 (E_RNA)
where:
Base-Base interactions energy: -39.989
where: short stacking energy: -38.144
Base-Backbone interact. energy: -0.231
local terms energy: -58.149584
where:
bonds (distance) C4'-P energy: -8.487
bonds (distance) P-C4' energy: -13.741
flat angles C4'-P-C4' energy: -18.100
flat angles P-C4'-P energy: -12.420
tors. eta vs tors. theta energy: -5.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -86.927984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.927984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.927984 (E_RNA)
where:
Base-Base interactions energy: -32.528
where: short stacking energy: -19.301
Base-Backbone interact. energy: -1.294
local terms energy: -53.105835
where:
bonds (distance) C4'-P energy: -11.000
bonds (distance) P-C4' energy: -18.375
flat angles C4'-P-C4' energy: -11.653
flat angles P-C4'-P energy: -10.466
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: 1, replica: 5
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -296.550086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.550086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.550086 (E_RNA)
where:
Base-Base interactions energy: -203.043
where: short stacking energy: -67.787
Base-Backbone interact. energy: -0.176
local terms energy: -93.331614
where:
bonds (distance) C4'-P energy: -16.697
bonds (distance) P-C4' energy: -21.747
flat angles C4'-P-C4' energy: -21.144
flat angles P-C4'-P energy: -12.694
tors. eta vs tors. theta energy: -21.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -282.392040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.392040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.392040 (E_RNA)
where:
Base-Base interactions energy: -195.088
where: short stacking energy: -70.240
Base-Backbone interact. energy: -0.191
local terms energy: -87.112549
where:
bonds (distance) C4'-P energy: -20.806
bonds (distance) P-C4' energy: -10.453
flat angles C4'-P-C4' energy: -19.269
flat angles P-C4'-P energy: -14.432
tors. eta vs tors. theta energy: -22.152
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: 3
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -247.252431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.252431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.252431 (E_RNA)
where:
Base-Base interactions energy: -165.149
where: short stacking energy: -67.703
Base-Backbone interact. energy: 0.523
local terms energy: -82.626122
where:
bonds (distance) C4'-P energy: -18.380
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -14.409
flat angles P-C4'-P energy: -14.773
tors. eta vs tors. theta energy: -18.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -226.289019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.289019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.289019 (E_RNA)
where:
Base-Base interactions energy: -137.381
where: short stacking energy: -76.177
Base-Backbone interact. energy: -0.844
local terms energy: -88.063807
where:
bonds (distance) C4'-P energy: -16.862
bonds (distance) P-C4' energy: -16.807
flat angles C4'-P-C4' energy: -19.595
flat angles P-C4'-P energy: -9.053
tors. eta vs tors. theta energy: -25.746
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: 2
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -210.024877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.024877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.024877 (E_RNA)
where:
Base-Base interactions energy: -127.971
where: short stacking energy: -73.259
Base-Backbone interact. energy: -0.452
local terms energy: -81.602222
where:
bonds (distance) C4'-P energy: -18.136
bonds (distance) P-C4' energy: -20.443
flat angles C4'-P-C4' energy: -16.021
flat angles P-C4'-P energy: -11.735
tors. eta vs tors. theta energy: -15.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -166.186929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.186929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.186929 (E_RNA)
where:
Base-Base interactions energy: -90.855
where: short stacking energy: -51.145
Base-Backbone interact. energy: 0.223
local terms energy: -75.555291
where:
bonds (distance) C4'-P energy: -19.897
bonds (distance) P-C4' energy: -21.106
flat angles C4'-P-C4' energy: -15.814
flat angles P-C4'-P energy: -8.506
tors. eta vs tors. theta energy: -10.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -146.278853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.278853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.278853 (E_RNA)
where:
Base-Base interactions energy: -76.307
where: short stacking energy: -39.471
Base-Backbone interact. energy: 0.178
local terms energy: -70.150091
where:
bonds (distance) C4'-P energy: -18.513
bonds (distance) P-C4' energy: -19.334
flat angles C4'-P-C4' energy: -16.876
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -5.704
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: 1
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -140.428138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.428138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.428138 (E_RNA)
where:
Base-Base interactions energy: -66.675
where: short stacking energy: -35.669
Base-Backbone interact. energy: -1.284
local terms energy: -72.469851
where:
bonds (distance) C4'-P energy: -17.872
bonds (distance) P-C4' energy: -19.678
flat angles C4'-P-C4' energy: -21.195
flat angles P-C4'-P energy: -7.996
tors. eta vs tors. theta energy: -5.729
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: 4
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -93.315769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.315769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.315769 (E_RNA)
where:
Base-Base interactions energy: -32.833
where: short stacking energy: -30.207
Base-Backbone interact. energy: -0.127
local terms energy: -60.356100
where:
bonds (distance) C4'-P energy: -16.639
bonds (distance) P-C4' energy: -17.197
flat angles C4'-P-C4' energy: -15.045
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -1.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -87.141075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.141075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.141075 (E_RNA)
where:
Base-Base interactions energy: -33.326
where: short stacking energy: -24.783
Base-Backbone interact. energy: 0.248
local terms energy: -54.063396
where:
bonds (distance) C4'-P energy: -17.724
bonds (distance) P-C4' energy: -20.123
flat angles C4'-P-C4' energy: -4.976
flat angles P-C4'-P energy: -10.002
tors. eta vs tors. theta energy: -1.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -293.490611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.490611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.490611 (E_RNA)
where:
Base-Base interactions energy: -211.375
where: short stacking energy: -79.387
Base-Backbone interact. energy: -0.111
local terms energy: -82.005349
where:
bonds (distance) C4'-P energy: -11.600
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -19.632
flat angles P-C4'-P energy: -15.134
tors. eta vs tors. theta energy: -17.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -287.254985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.254985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.254985 (E_RNA)
where:
Base-Base interactions energy: -202.491
where: short stacking energy: -80.242
Base-Backbone interact. energy: -1.650
local terms energy: -83.114027
where:
bonds (distance) C4'-P energy: -14.663
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -17.377
flat angles P-C4'-P energy: -11.332
tors. eta vs tors. theta energy: -23.032
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: 3
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -250.041463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.041463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.041463 (E_RNA)
where:
Base-Base interactions energy: -171.922
where: short stacking energy: -59.593
Base-Backbone interact. energy: -0.674
local terms energy: -77.445536
where:
bonds (distance) C4'-P energy: -17.921
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -17.491
flat angles P-C4'-P energy: -9.932
tors. eta vs tors. theta energy: -15.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -210.568694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.568694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.568694 (E_RNA)
where:
Base-Base interactions energy: -123.601
where: short stacking energy: -55.406
Base-Backbone interact. energy: -0.057
local terms energy: -86.910280
where:
bonds (distance) C4'-P energy: -18.331
bonds (distance) P-C4' energy: -20.207
flat angles C4'-P-C4' energy: -17.131
flat angles P-C4'-P energy: -13.077
tors. eta vs tors. theta energy: -18.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -179.210509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.210509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.210509 (E_RNA)
where:
Base-Base interactions energy: -107.536
where: short stacking energy: -62.035
Base-Backbone interact. energy: -0.168
local terms energy: -71.506484
where:
bonds (distance) C4'-P energy: -16.849
bonds (distance) P-C4' energy: -20.785
flat angles C4'-P-C4' energy: -7.557
flat angles P-C4'-P energy: -11.733
tors. eta vs tors. theta energy: -14.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -160.425459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.425459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.425459 (E_RNA)
where:
Base-Base interactions energy: -86.118
where: short stacking energy: -37.274
Base-Backbone interact. energy: -0.338
local terms energy: -73.968976
where:
bonds (distance) C4'-P energy: -18.489
bonds (distance) P-C4' energy: -19.136
flat angles C4'-P-C4' energy: -20.201
flat angles P-C4'-P energy: -14.718
tors. eta vs tors. theta energy: -1.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -157.868992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.868992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.868992 (E_RNA)
where:
Base-Base interactions energy: -93.473
where: short stacking energy: -50.174
Base-Backbone interact. energy: 4.699
local terms energy: -69.094654
where:
bonds (distance) C4'-P energy: -16.929
bonds (distance) P-C4' energy: -18.471
flat angles C4'-P-C4' energy: -11.629
flat angles P-C4'-P energy: -10.221
tors. eta vs tors. theta energy: -11.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -178.183541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.183541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.183541 (E_RNA)
where:
Base-Base interactions energy: -112.242
where: short stacking energy: -53.346
Base-Backbone interact. energy: -1.392
local terms energy: -64.549172
where:
bonds (distance) C4'-P energy: -11.000
bonds (distance) P-C4' energy: -18.130
flat angles C4'-P-C4' energy: -15.686
flat angles P-C4'-P energy: -7.741
tors. eta vs tors. theta energy: -11.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -102.097546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.097546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.097546 (E_RNA)
where:
Base-Base interactions energy: -42.828
where: short stacking energy: -41.286
Base-Backbone interact. energy: -0.218
local terms energy: -59.051785
where:
bonds (distance) C4'-P energy: -14.181
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -19.090
flat angles P-C4'-P energy: -5.126
tors. eta vs tors. theta energy: -5.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -83.159731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.159731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.159731 (E_RNA)
where:
Base-Base interactions energy: -38.753
where: short stacking energy: -35.140
Base-Backbone interact. energy: -0.230
local terms energy: -44.176821
where:
bonds (distance) C4'-P energy: -14.443
bonds (distance) P-C4' energy: -16.494
flat angles C4'-P-C4' energy: -11.269
flat angles P-C4'-P energy: -3.321
tors. eta vs tors. theta energy: 1.349
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: 1, replica: 10
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -293.279942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.279942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.279942 (E_RNA)
where:
Base-Base interactions energy: -208.850
where: short stacking energy: -76.298
Base-Backbone interact. energy: 0.050
local terms energy: -84.479968
where:
bonds (distance) C4'-P energy: -18.302
bonds (distance) P-C4' energy: -14.883
flat angles C4'-P-C4' energy: -17.967
flat angles P-C4'-P energy: -12.444
tors. eta vs tors. theta energy: -20.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -281.448937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.448937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.448937 (E_RNA)
where:
Base-Base interactions energy: -194.083
where: short stacking energy: -70.316
Base-Backbone interact. energy: -1.165
local terms energy: -86.200872
where:
bonds (distance) C4'-P energy: -17.027
bonds (distance) P-C4' energy: -18.928
flat angles C4'-P-C4' energy: -18.031
flat angles P-C4'-P energy: -14.847
tors. eta vs tors. theta energy: -17.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -213.312213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.312213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.312213 (E_RNA)
where:
Base-Base interactions energy: -126.734
where: short stacking energy: -75.015
Base-Backbone interact. energy: -0.128
local terms energy: -86.450553
where:
bonds (distance) C4'-P energy: -20.856
bonds (distance) P-C4' energy: -14.519
flat angles C4'-P-C4' energy: -16.793
flat angles P-C4'-P energy: -15.311
tors. eta vs tors. theta energy: -18.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -237.673600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.673600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.673600 (E_RNA)
where:
Base-Base interactions energy: -163.123
where: short stacking energy: -56.543
Base-Backbone interact. energy: -0.402
local terms energy: -74.148766
where:
bonds (distance) C4'-P energy: -14.386
bonds (distance) P-C4' energy: -15.763
flat angles C4'-P-C4' energy: -16.686
flat angles P-C4'-P energy: -12.438
tors. eta vs tors. theta energy: -14.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -164.524589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.524589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.524589 (E_RNA)
where:
Base-Base interactions energy: -89.222
where: short stacking energy: -55.116
Base-Backbone interact. energy: -0.810
local terms energy: -74.492336
where:
bonds (distance) C4'-P energy: -13.802
bonds (distance) P-C4' energy: -16.477
flat angles C4'-P-C4' energy: -19.864
flat angles P-C4'-P energy: -14.547
tors. eta vs tors. theta energy: -9.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -171.660837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.660837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.660837 (E_RNA)
where:
Base-Base interactions energy: -99.161
where: short stacking energy: -50.325
Base-Backbone interact. energy: -0.116
local terms energy: -72.384015
where:
bonds (distance) C4'-P energy: -19.896
bonds (distance) P-C4' energy: -19.309
flat angles C4'-P-C4' energy: -14.896
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -9.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -207.774981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.774981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.774981 (E_RNA)
where:
Base-Base interactions energy: -131.438
where: short stacking energy: -62.227
Base-Backbone interact. energy: -0.214
local terms energy: -76.122806
where:
bonds (distance) C4'-P energy: -13.352
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -17.720
flat angles P-C4'-P energy: -11.692
tors. eta vs tors. theta energy: -16.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -176.967307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.967307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.967307 (E_RNA)
where:
Base-Base interactions energy: -102.477
where: short stacking energy: -48.619
Base-Backbone interact. energy: 0.564
local terms energy: -75.053738
where:
bonds (distance) C4'-P energy: -11.746
bonds (distance) P-C4' energy: -18.050
flat angles C4'-P-C4' energy: -17.656
flat angles P-C4'-P energy: -12.207
tors. eta vs tors. theta energy: -15.396
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: 6
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -103.738785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.738785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.738785 (E_RNA)
where:
Base-Base interactions energy: -40.928
where: short stacking energy: -39.588
Base-Backbone interact. energy: 1.657
local terms energy: -64.467194
where:
bonds (distance) C4'-P energy: -14.894
bonds (distance) P-C4' energy: -19.812
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -8.393
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: 10, replica: 4
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -93.131248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.131248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.131248 (E_RNA)
where:
Base-Base interactions energy: -50.002
where: short stacking energy: -44.952
Base-Backbone interact. energy: -0.444
local terms energy: -42.685708
where:
bonds (distance) C4'-P energy: -10.709
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -6.893
flat angles P-C4'-P energy: -7.849
tors. eta vs tors. theta energy: -0.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -287.656065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.656065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.656065 (E_RNA)
where:
Base-Base interactions energy: -195.088
where: short stacking energy: -81.658
Base-Backbone interact. energy: -0.171
local terms energy: -92.396982
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -15.603
flat angles C4'-P-C4' energy: -21.970
flat angles P-C4'-P energy: -16.386
tors. eta vs tors. theta energy: -23.095
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: 5
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -287.493284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.493284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.493284 (E_RNA)
where:
Base-Base interactions energy: -197.781
where: short stacking energy: -75.135
Base-Backbone interact. energy: -0.149
local terms energy: -89.563200
where:
bonds (distance) C4'-P energy: -17.404
bonds (distance) P-C4' energy: -16.281
flat angles C4'-P-C4' energy: -19.483
flat angles P-C4'-P energy: -14.865
tors. eta vs tors. theta energy: -21.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -203.282769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.282769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.282769 (E_RNA)
where:
Base-Base interactions energy: -120.760
where: short stacking energy: -52.311
Base-Backbone interact. energy: -0.111
local terms energy: -82.411766
where:
bonds (distance) C4'-P energy: -17.322
bonds (distance) P-C4' energy: -16.609
flat angles C4'-P-C4' energy: -17.774
flat angles P-C4'-P energy: -14.793
tors. eta vs tors. theta energy: -15.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 33
Temperature: 1.050000
Total energy: -228.840361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.840361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.840361 (E_RNA)
where:
Base-Base interactions energy: -143.308
where: short stacking energy: -70.658
Base-Backbone interact. energy: -0.097
local terms energy: -85.435415
where:
bonds (distance) C4'-P energy: -17.290
bonds (distance) P-C4' energy: -17.407
flat angles C4'-P-C4' energy: -19.750
flat angles P-C4'-P energy: -8.876
tors. eta vs tors. theta energy: -22.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -186.694522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.694522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.694522 (E_RNA)
where:
Base-Base interactions energy: -112.384
where: short stacking energy: -49.135
Base-Backbone interact. energy: -1.611
local terms energy: -72.699698
where:
bonds (distance) C4'-P energy: -17.450
bonds (distance) P-C4' energy: -14.350
flat angles C4'-P-C4' energy: -19.788
flat angles P-C4'-P energy: -9.216
tors. eta vs tors. theta energy: -11.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -217.809815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.809815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.809815 (E_RNA)
where:
Base-Base interactions energy: -134.246
where: short stacking energy: -59.598
Base-Backbone interact. energy: -0.010
local terms energy: -83.553339
where:
bonds (distance) C4'-P energy: -14.523
bonds (distance) P-C4' energy: -20.426
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -15.621
tors. eta vs tors. theta energy: -18.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -173.297629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.297629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.297629 (E_RNA)
where:
Base-Base interactions energy: -103.019
where: short stacking energy: -48.007
Base-Backbone interact. energy: -0.611
local terms energy: -69.667118
where:
bonds (distance) C4'-P energy: -15.565
bonds (distance) P-C4' energy: -21.846
flat angles C4'-P-C4' energy: -17.809
flat angles P-C4'-P energy: -5.519
tors. eta vs tors. theta energy: -8.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -171.021453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.021453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.021453 (E_RNA)
where:
Base-Base interactions energy: -97.947
where: short stacking energy: -52.356
Base-Backbone interact. energy: -0.192
local terms energy: -72.882204
where:
bonds (distance) C4'-P energy: -16.800
bonds (distance) P-C4' energy: -20.583
flat angles C4'-P-C4' energy: -16.171
flat angles P-C4'-P energy: -9.436
tors. eta vs tors. theta energy: -9.892
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: 33
Temperature: 1.300000
Total energy: -97.802160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.802160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.802160 (E_RNA)
where:
Base-Base interactions energy: -39.968
where: short stacking energy: -33.141
Base-Backbone interact. energy: 0.868
local terms energy: -58.702213
where:
bonds (distance) C4'-P energy: -9.712
bonds (distance) P-C4' energy: -13.917
flat angles C4'-P-C4' energy: -21.940
flat angles P-C4'-P energy: -7.213
tors. eta vs tors. theta energy: -5.920
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: 4
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -90.514265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.514265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.514265 (E_RNA)
where:
Base-Base interactions energy: -29.391
where: short stacking energy: -23.236
Base-Backbone interact. energy: -1.613
local terms energy: -59.509438
where:
bonds (distance) C4'-P energy: -14.629
bonds (distance) P-C4' energy: -18.341
flat angles C4'-P-C4' energy: -13.065
flat angles P-C4'-P energy: -11.534
tors. eta vs tors. theta energy: -1.941
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: 5
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -288.192441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.192441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.192441 (E_RNA)
where:
Base-Base interactions energy: -198.996
where: short stacking energy: -72.301
Base-Backbone interact. energy: -0.620
local terms energy: -88.576194
where:
bonds (distance) C4'-P energy: -14.983
bonds (distance) P-C4' energy: -18.676
flat angles C4'-P-C4' energy: -21.665
flat angles P-C4'-P energy: -14.469
tors. eta vs tors. theta energy: -18.783
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: 2, replica: 10
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -287.694670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.694670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.694670 (E_RNA)
where:
Base-Base interactions energy: -197.252
where: short stacking energy: -82.806
Base-Backbone interact. energy: -0.236
local terms energy: -90.207234
where:
bonds (distance) C4'-P energy: -18.070
bonds (distance) P-C4' energy: -20.141
flat angles C4'-P-C4' energy: -20.863
flat angles P-C4'-P energy: -10.054
tors. eta vs tors. theta energy: -21.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -228.861575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.861575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.861575 (E_RNA)
where:
Base-Base interactions energy: -141.675
where: short stacking energy: -64.971
Base-Backbone interact. energy: -0.012
local terms energy: -87.175451
where:
bonds (distance) C4'-P energy: -18.771
bonds (distance) P-C4' energy: -16.151
flat angles C4'-P-C4' energy: -17.072
flat angles P-C4'-P energy: -13.485
tors. eta vs tors. theta energy: -21.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -201.379668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.379668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.379668 (E_RNA)
where:
Base-Base interactions energy: -139.950
where: short stacking energy: -63.732
Base-Backbone interact. energy: -0.635
local terms energy: -60.794374
where:
bonds (distance) C4'-P energy: -9.993
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -15.211
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -8.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -203.584513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.584513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.584513 (E_RNA)
where:
Base-Base interactions energy: -129.449
where: short stacking energy: -57.452
Base-Backbone interact. energy: -0.197
local terms energy: -73.937927
where:
bonds (distance) C4'-P energy: -16.886
bonds (distance) P-C4' energy: -20.172
flat angles C4'-P-C4' energy: -11.121
flat angles P-C4'-P energy: -13.548
tors. eta vs tors. theta energy: -12.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -166.939153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.939153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.939153 (E_RNA)
where:
Base-Base interactions energy: -88.388
where: short stacking energy: -54.195
Base-Backbone interact. energy: -0.296
local terms energy: -78.255069
where:
bonds (distance) C4'-P energy: -14.207
bonds (distance) P-C4' energy: -18.803
flat angles C4'-P-C4' energy: -14.087
flat angles P-C4'-P energy: -10.421
tors. eta vs tors. theta energy: -20.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -189.127085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.127085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.127085 (E_RNA)
where:
Base-Base interactions energy: -113.848
where: short stacking energy: -57.032
Base-Backbone interact. energy: -0.049
local terms energy: -75.230870
where:
bonds (distance) C4'-P energy: -18.468
bonds (distance) P-C4' energy: -20.479
flat angles C4'-P-C4' energy: -9.211
flat angles P-C4'-P energy: -13.611
tors. eta vs tors. theta energy: -13.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -160.656475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.656475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.656475 (E_RNA)
where:
Base-Base interactions energy: -104.027
where: short stacking energy: -41.521
Base-Backbone interact. energy: 3.685
local terms energy: -60.314982
where:
bonds (distance) C4'-P energy: -19.298
bonds (distance) P-C4' energy: -10.086
flat angles C4'-P-C4' energy: -19.732
flat angles P-C4'-P energy: -8.183
tors. eta vs tors. theta energy: -3.016
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: 34
Temperature: 1.300000
Total energy: -115.828013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.828013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.828013 (E_RNA)
where:
Base-Base interactions energy: -60.783
where: short stacking energy: -36.863
Base-Backbone interact. energy: -0.762
local terms energy: -54.282423
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -14.465
flat angles P-C4'-P energy: -7.297
tors. eta vs tors. theta energy: -2.752
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: 10, replica: 6
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -88.561758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.561758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.561758 (E_RNA)
where:
Base-Base interactions energy: -36.613
where: short stacking energy: -36.613
Base-Backbone interact. energy: -0.317
local terms energy: -51.632168
where:
bonds (distance) C4'-P energy: -8.985
bonds (distance) P-C4' energy: -8.104
flat angles C4'-P-C4' energy: -18.556
flat angles P-C4'-P energy: -12.815
tors. eta vs tors. theta energy: -3.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -290.496647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.496647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.496647 (E_RNA)
where:
Base-Base interactions energy: -198.481
where: short stacking energy: -84.093
Base-Backbone interact. energy: -0.256
local terms energy: -91.759580
where:
bonds (distance) C4'-P energy: -16.610
bonds (distance) P-C4' energy: -17.573
flat angles C4'-P-C4' energy: -19.301
flat angles P-C4'-P energy: -12.607
tors. eta vs tors. theta energy: -25.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -281.972602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.972602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.972602 (E_RNA)
where:
Base-Base interactions energy: -203.222
where: short stacking energy: -79.736
Base-Backbone interact. energy: -0.583
local terms energy: -78.167233
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -16.099
flat angles C4'-P-C4' energy: -11.219
flat angles P-C4'-P energy: -13.420
tors. eta vs tors. theta energy: -24.729
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: 3
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -210.032506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.032506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.032506 (E_RNA)
where:
Base-Base interactions energy: -120.384
where: short stacking energy: -57.444
Base-Backbone interact. energy: -1.189
local terms energy: -88.459470
where:
bonds (distance) C4'-P energy: -17.246
bonds (distance) P-C4' energy: -18.844
flat angles C4'-P-C4' energy: -19.266
flat angles P-C4'-P energy: -16.220
tors. eta vs tors. theta energy: -16.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -222.868689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.868689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.868689 (E_RNA)
where:
Base-Base interactions energy: -141.041
where: short stacking energy: -72.507
Base-Backbone interact. energy: -1.890
local terms energy: -79.937502
where:
bonds (distance) C4'-P energy: -18.231
bonds (distance) P-C4' energy: -14.853
flat angles C4'-P-C4' energy: -16.344
flat angles P-C4'-P energy: -12.637
tors. eta vs tors. theta energy: -17.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 35
Temperature: 1.100000
Total energy: -192.919933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.919933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.919933 (E_RNA)
where:
Base-Base interactions energy: -117.983
where: short stacking energy: -50.670
Base-Backbone interact. energy: -0.282
local terms energy: -74.654537
where:
bonds (distance) C4'-P energy: -20.566
bonds (distance) P-C4' energy: -16.564
flat angles C4'-P-C4' energy: -20.357
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: -7.688
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: 7
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -165.522169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.522169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.522169 (E_RNA)
where:
Base-Base interactions energy: -99.612
where: short stacking energy: -49.422
Base-Backbone interact. energy: -0.163
local terms energy: -65.746614
where:
bonds (distance) C4'-P energy: -18.295
bonds (distance) P-C4' energy: -12.516
flat angles C4'-P-C4' energy: -16.105
flat angles P-C4'-P energy: -6.569
tors. eta vs tors. theta energy: -12.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -105.755182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.755182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.755182 (E_RNA)
where:
Base-Base interactions energy: -46.818
where: short stacking energy: -28.573
Base-Backbone interact. energy: -0.224
local terms energy: -58.713443
where:
bonds (distance) C4'-P energy: -19.039
bonds (distance) P-C4' energy: -14.024
flat angles C4'-P-C4' energy: -15.612
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: 0.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -164.566962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.566962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.566962 (E_RNA)
where:
Base-Base interactions energy: -97.449
where: short stacking energy: -54.738
Base-Backbone interact. energy: 2.322
local terms energy: -69.439343
where:
bonds (distance) C4'-P energy: -15.442
bonds (distance) P-C4' energy: -14.970
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -12.224
tors. eta vs tors. theta energy: -10.933
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: 4
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -112.430839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.430839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.430839 (E_RNA)
where:
Base-Base interactions energy: -54.800
where: short stacking energy: -26.754
Base-Backbone interact. energy: -1.414
local terms energy: -56.217056
where:
bonds (distance) C4'-P energy: -12.656
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -17.354
flat angles P-C4'-P energy: -6.811
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: 10, replica: 6
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -78.697093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.697093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.697093 (E_RNA)
where:
Base-Base interactions energy: -24.050
where: short stacking energy: -21.935
Base-Backbone interact. energy: 0.273
local terms energy: -54.919985
where:
bonds (distance) C4'-P energy: -19.540
bonds (distance) P-C4' energy: -11.649
flat angles C4'-P-C4' energy: -15.985
flat angles P-C4'-P energy: -7.915
tors. eta vs tors. theta energy: 0.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -290.826612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.826612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.826612 (E_RNA)
where:
Base-Base interactions energy: -194.058
where: short stacking energy: -78.024
Base-Backbone interact. energy: -0.033
local terms energy: -96.736123
where:
bonds (distance) C4'-P energy: -18.919
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -20.501
flat angles P-C4'-P energy: -14.346
tors. eta vs tors. theta energy: -24.994
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: 5
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -287.196132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.196132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.196132 (E_RNA)
where:
Base-Base interactions energy: -196.248
where: short stacking energy: -81.093
Base-Backbone interact. energy: -0.059
local terms energy: -90.889489
where:
bonds (distance) C4'-P energy: -19.341
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -12.486
tors. eta vs tors. theta energy: -26.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -262.800179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.800179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.800179 (E_RNA)
where:
Base-Base interactions energy: -177.979
where: short stacking energy: -73.524
Base-Backbone interact. energy: -0.982
local terms energy: -83.838568
where:
bonds (distance) C4'-P energy: -15.268
bonds (distance) P-C4' energy: -12.734
flat angles C4'-P-C4' energy: -19.539
flat angles P-C4'-P energy: -14.664
tors. eta vs tors. theta energy: -21.634
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: 4, replica: 3
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -218.653171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.653171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.653171 (E_RNA)
where:
Base-Base interactions energy: -137.603
where: short stacking energy: -73.090
Base-Backbone interact. energy: -0.155
local terms energy: -80.895748
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -20.954
flat angles C4'-P-C4' energy: -16.116
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -18.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -187.528812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.528812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.528812 (E_RNA)
where:
Base-Base interactions energy: -108.665
where: short stacking energy: -61.641
Base-Backbone interact. energy: -0.015
local terms energy: -78.848579
where:
bonds (distance) C4'-P energy: -15.185
bonds (distance) P-C4' energy: -15.292
flat angles C4'-P-C4' energy: -18.854
flat angles P-C4'-P energy: -12.964
tors. eta vs tors. theta energy: -16.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -172.885937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.885937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.885937 (E_RNA)
where:
Base-Base interactions energy: -107.304
where: short stacking energy: -50.748
Base-Backbone interact. energy: -0.205
local terms energy: -65.376674
where:
bonds (distance) C4'-P energy: -17.065
bonds (distance) P-C4' energy: -16.090
flat angles C4'-P-C4' energy: -18.007
flat angles P-C4'-P energy: -5.373
tors. eta vs tors. theta energy: -8.843
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: 9
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -233.273595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.273595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.273595 (E_RNA)
where:
Base-Base interactions energy: -155.667
where: short stacking energy: -60.130
Base-Backbone interact. energy: -0.415
local terms energy: -77.192052
where:
bonds (distance) C4'-P energy: -11.144
bonds (distance) P-C4' energy: -15.335
flat angles C4'-P-C4' energy: -21.068
flat angles P-C4'-P energy: -11.019
tors. eta vs tors. theta energy: -18.626
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: 8, replica: 8
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -99.397820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.397820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.397820 (E_RNA)
where:
Base-Base interactions energy: -41.293
where: short stacking energy: -33.318
Base-Backbone interact. energy: -0.363
local terms energy: -57.741557
where:
bonds (distance) C4'-P energy: -15.425
bonds (distance) P-C4' energy: -19.903
flat angles C4'-P-C4' energy: -14.045
flat angles P-C4'-P energy: -6.711
tors. eta vs tors. theta energy: -1.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -105.686482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.686482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.686482 (E_RNA)
where:
Base-Base interactions energy: -38.786
where: short stacking energy: -35.189
Base-Backbone interact. energy: -0.085
local terms energy: -66.814844
where:
bonds (distance) C4'-P energy: -16.515
bonds (distance) P-C4' energy: -21.743
flat angles C4'-P-C4' energy: -15.263
flat angles P-C4'-P energy: -5.484
tors. eta vs tors. theta energy: -7.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -86.997320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.997320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.997320 (E_RNA)
where:
Base-Base interactions energy: -32.967
where: short stacking energy: -31.543
Base-Backbone interact. energy: -0.243
local terms energy: -53.787794
where:
bonds (distance) C4'-P energy: -12.700
bonds (distance) P-C4' energy: -18.590
flat angles C4'-P-C4' energy: -12.185
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: 1.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -290.572308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.572308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.572308 (E_RNA)
where:
Base-Base interactions energy: -200.886
where: short stacking energy: -88.654
Base-Backbone interact. energy: -0.069
local terms energy: -89.616864
where:
bonds (distance) C4'-P energy: -17.086
bonds (distance) P-C4' energy: -17.364
flat angles C4'-P-C4' energy: -21.892
flat angles P-C4'-P energy: -5.575
tors. eta vs tors. theta energy: -27.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -285.798861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.798861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.798861 (E_RNA)
where:
Base-Base interactions energy: -192.342
where: short stacking energy: -81.427
Base-Backbone interact. energy: -0.003
local terms energy: -93.453875
where:
bonds (distance) C4'-P energy: -18.771
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -17.464
flat angles P-C4'-P energy: -13.109
tors. eta vs tors. theta energy: -25.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -274.865331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.865331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.865331 (E_RNA)
where:
Base-Base interactions energy: -183.353
where: short stacking energy: -66.447
Base-Backbone interact. energy: -0.043
local terms energy: -91.469263
where:
bonds (distance) C4'-P energy: -14.697
bonds (distance) P-C4' energy: -21.969
flat angles C4'-P-C4' energy: -20.390
flat angles P-C4'-P energy: -13.943
tors. eta vs tors. theta energy: -20.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -224.944689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.944689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.944689 (E_RNA)
where:
Base-Base interactions energy: -152.031
where: short stacking energy: -61.085
Base-Backbone interact. energy: -0.095
local terms energy: -72.818298
where:
bonds (distance) C4'-P energy: -12.366
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -17.138
flat angles P-C4'-P energy: -10.700
tors. eta vs tors. theta energy: -16.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 37
Temperature: 1.100000
Total energy: -169.456499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.456499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.456499 (E_RNA)
where:
Base-Base interactions energy: -107.675
where: short stacking energy: -53.645
Base-Backbone interact. energy: 1.151
local terms energy: -62.932310
where:
bonds (distance) C4'-P energy: -10.831
bonds (distance) P-C4' energy: -14.940
flat angles C4'-P-C4' energy: -12.018
flat angles P-C4'-P energy: -12.896
tors. eta vs tors. theta energy: -12.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -263.040252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.040252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.040252 (E_RNA)
where:
Base-Base interactions energy: -177.677
where: short stacking energy: -73.944
Base-Backbone interact. energy: -0.250
local terms energy: -85.113128
where:
bonds (distance) C4'-P energy: -21.142
bonds (distance) P-C4' energy: -10.085
flat angles C4'-P-C4' energy: -20.235
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -22.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -169.558928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.558928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.558928 (E_RNA)
where:
Base-Base interactions energy: -112.478
where: short stacking energy: -50.363
Base-Backbone interact. energy: -1.285
local terms energy: -55.795696
where:
bonds (distance) C4'-P energy: -9.531
bonds (distance) P-C4' energy: -11.864
flat angles C4'-P-C4' energy: -12.639
flat angles P-C4'-P energy: -12.391
tors. eta vs tors. theta energy: -9.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -102.498259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.498259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.498259 (E_RNA)
where:
Base-Base interactions energy: -43.524
where: short stacking energy: -43.524
Base-Backbone interact. energy: -0.136
local terms energy: -58.838183
where:
bonds (distance) C4'-P energy: -7.342
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -17.794
flat angles P-C4'-P energy: -13.566
tors. eta vs tors. theta energy: -3.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -94.130997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.130997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.130997 (E_RNA)
where:
Base-Base interactions energy: -36.915
where: short stacking energy: -18.171
Base-Backbone interact. energy: -0.297
local terms energy: -56.919029
where:
bonds (distance) C4'-P energy: -18.588
bonds (distance) P-C4' energy: -17.744
flat angles C4'-P-C4' energy: -13.137
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: 3.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 37
Temperature: 1.350000
Total energy: -91.168419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.168419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.168419 (E_RNA)
where:
Base-Base interactions energy: -29.229
where: short stacking energy: -28.687
Base-Backbone interact. energy: 1.471
local terms energy: -63.410687
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -11.794
flat angles P-C4'-P energy: -10.390
tors. eta vs tors. theta energy: -8.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -292.428845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.428845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.428845 (E_RNA)
where:
Base-Base interactions energy: -196.639
where: short stacking energy: -85.310
Base-Backbone interact. energy: -0.105
local terms energy: -95.685231
where:
bonds (distance) C4'-P energy: -18.597
bonds (distance) P-C4' energy: -20.369
flat angles C4'-P-C4' energy: -17.191
flat angles P-C4'-P energy: -14.066
tors. eta vs tors. theta energy: -25.462
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: 5
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -289.742664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.742664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.742664 (E_RNA)
where:
Base-Base interactions energy: -194.229
where: short stacking energy: -89.319
Base-Backbone interact. energy: 0.268
local terms energy: -95.781684
where:
bonds (distance) C4'-P energy: -15.476
bonds (distance) P-C4' energy: -18.685
flat angles C4'-P-C4' energy: -19.535
flat angles P-C4'-P energy: -15.671
tors. eta vs tors. theta energy: -26.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -278.272556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.272556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.272556 (E_RNA)
where:
Base-Base interactions energy: -185.256
where: short stacking energy: -75.103
Base-Backbone interact. energy: -0.552
local terms energy: -92.464119
where:
bonds (distance) C4'-P energy: -17.067
bonds (distance) P-C4' energy: -18.928
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -17.682
tors. eta vs tors. theta energy: -22.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -229.902959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.902959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.902959 (E_RNA)
where:
Base-Base interactions energy: -146.478
where: short stacking energy: -69.678
Base-Backbone interact. energy: -1.309
local terms energy: -82.115394
where:
bonds (distance) C4'-P energy: -12.771
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -19.451
flat angles P-C4'-P energy: -12.906
tors. eta vs tors. theta energy: -20.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -267.701279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.701279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.701279 (E_RNA)
where:
Base-Base interactions energy: -183.049
where: short stacking energy: -73.120
Base-Backbone interact. energy: -0.217
local terms energy: -84.435065
where:
bonds (distance) C4'-P energy: -13.797
bonds (distance) P-C4' energy: -17.817
flat angles C4'-P-C4' energy: -18.702
flat angles P-C4'-P energy: -14.164
tors. eta vs tors. theta energy: -19.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -163.494023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.494023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.494023 (E_RNA)
where:
Base-Base interactions energy: -103.967
where: short stacking energy: -41.802
Base-Backbone interact. energy: -0.115
local terms energy: -59.412012
where:
bonds (distance) C4'-P energy: -16.714
bonds (distance) P-C4' energy: -17.608
flat angles C4'-P-C4' energy: -10.530
flat angles P-C4'-P energy: -2.622
tors. eta vs tors. theta energy: -11.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -164.644302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.644302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.644302 (E_RNA)
where:
Base-Base interactions energy: -102.718
where: short stacking energy: -46.896
Base-Backbone interact. energy: -0.455
local terms energy: -61.472154
where:
bonds (distance) C4'-P energy: -14.791
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -14.474
flat angles P-C4'-P energy: -5.184
tors. eta vs tors. theta energy: -8.401
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: 38
Temperature: 1.250000
Total energy: -139.531097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.531097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.531097 (E_RNA)
where:
Base-Base interactions energy: -81.739
where: short stacking energy: -37.372
Base-Backbone interact. energy: -0.625
local terms energy: -57.166790
where:
bonds (distance) C4'-P energy: -18.295
bonds (distance) P-C4' energy: -14.264
flat angles C4'-P-C4' energy: -13.706
flat angles P-C4'-P energy: -7.716
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: 9, replica: 6
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -96.975912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.975912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.975912 (E_RNA)
where:
Base-Base interactions energy: -42.940
where: short stacking energy: -36.101
Base-Backbone interact. energy: -0.177
local terms energy: -53.859574
where:
bonds (distance) C4'-P energy: -13.070
bonds (distance) P-C4' energy: -15.362
flat angles C4'-P-C4' energy: -8.938
flat angles P-C4'-P energy: -14.691
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: 10, replica: 4
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -95.492740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.492740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.492740 (E_RNA)
where:
Base-Base interactions energy: -35.519
where: short stacking energy: -35.519
Base-Backbone interact. energy: -0.098
local terms energy: -59.876482
where:
bonds (distance) C4'-P energy: -16.437
bonds (distance) P-C4' energy: -19.961
flat angles C4'-P-C4' energy: -12.742
flat angles P-C4'-P energy: -9.784
tors. eta vs tors. theta energy: -0.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -290.673635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.673635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.673635 (E_RNA)
where:
Base-Base interactions energy: -184.940
where: short stacking energy: -78.793
Base-Backbone interact. energy: -0.544
local terms energy: -105.189747
where:
bonds (distance) C4'-P energy: -19.946
bonds (distance) P-C4' energy: -18.022
flat angles C4'-P-C4' energy: -20.516
flat angles P-C4'-P energy: -18.573
tors. eta vs tors. theta energy: -28.132
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: 5
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -280.855611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.855611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.855611 (E_RNA)
where:
Base-Base interactions energy: -201.025
where: short stacking energy: -76.335
Base-Backbone interact. energy: 0.028
local terms energy: -79.858869
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -21.239
flat angles C4'-P-C4' energy: -16.785
flat angles P-C4'-P energy: -7.290
tors. eta vs tors. theta energy: -17.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -274.390080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.390080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.390080 (E_RNA)
where:
Base-Base interactions energy: -186.606
where: short stacking energy: -71.160
Base-Backbone interact. energy: -0.200
local terms energy: -87.583987
where:
bonds (distance) C4'-P energy: -17.905
bonds (distance) P-C4' energy: -20.785
flat angles C4'-P-C4' energy: -17.097
flat angles P-C4'-P energy: -12.234
tors. eta vs tors. theta energy: -19.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -274.299628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.299628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.299628 (E_RNA)
where:
Base-Base interactions energy: -185.761
where: short stacking energy: -76.353
Base-Backbone interact. energy: -0.187
local terms energy: -88.352092
where:
bonds (distance) C4'-P energy: -18.857
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -18.457
flat angles P-C4'-P energy: -14.512
tors. eta vs tors. theta energy: -19.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -210.779751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.779751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.779751 (E_RNA)
where:
Base-Base interactions energy: -130.134
where: short stacking energy: -71.672
Base-Backbone interact. energy: -0.247
local terms energy: -80.398266
where:
bonds (distance) C4'-P energy: -11.860
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -21.042
flat angles P-C4'-P energy: -11.894
tors. eta vs tors. theta energy: -20.071
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: 7
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -181.361799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.361799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.361799 (E_RNA)
where:
Base-Base interactions energy: -116.410
where: short stacking energy: -57.208
Base-Backbone interact. energy: -0.068
local terms energy: -64.883386
where:
bonds (distance) C4'-P energy: -12.448
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -16.362
flat angles P-C4'-P energy: -9.323
tors. eta vs tors. theta energy: -10.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 39
Temperature: 1.200000
Total energy: -168.503132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.503132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.503132 (E_RNA)
where:
Base-Base interactions energy: -104.548
where: short stacking energy: -46.834
Base-Backbone interact. energy: 1.116
local terms energy: -65.071218
where:
bonds (distance) C4'-P energy: -11.972
bonds (distance) P-C4' energy: -15.687
flat angles C4'-P-C4' energy: -13.892
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: -12.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -160.075120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.075120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.075120 (E_RNA)
where:
Base-Base interactions energy: -104.171
where: short stacking energy: -40.699
Base-Backbone interact. energy: -0.290
local terms energy: -55.613976
where:
bonds (distance) C4'-P energy: -12.133
bonds (distance) P-C4' energy: -12.494
flat angles C4'-P-C4' energy: -17.915
flat angles P-C4'-P energy: -4.515
tors. eta vs tors. theta energy: -8.557
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: 6
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -82.724735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.724735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.724735 (E_RNA)
where:
Base-Base interactions energy: -29.705
where: short stacking energy: -24.162
Base-Backbone interact. energy: -0.328
local terms energy: -52.692295
where:
bonds (distance) C4'-P energy: -12.535
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -13.347
flat angles P-C4'-P energy: -11.898
tors. eta vs tors. theta energy: 0.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -89.333110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.333110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.333110 (E_RNA)
where:
Base-Base interactions energy: -29.028
where: short stacking energy: -13.140
Base-Backbone interact. energy: -1.169
local terms energy: -59.136238
where:
bonds (distance) C4'-P energy: -17.942
bonds (distance) P-C4' energy: -18.208
flat angles C4'-P-C4' energy: -13.494
flat angles P-C4'-P energy: -10.122
tors. eta vs tors. theta energy: 0.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -294.385639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.385639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.385639 (E_RNA)
where:
Base-Base interactions energy: -202.456
where: short stacking energy: -85.455
Base-Backbone interact. energy: -0.683
local terms energy: -91.246068
where:
bonds (distance) C4'-P energy: -18.104
bonds (distance) P-C4' energy: -15.929
flat angles C4'-P-C4' energy: -20.468
flat angles P-C4'-P energy: -12.218
tors. eta vs tors. theta energy: -24.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -290.232960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.232960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.232960 (E_RNA)
where:
Base-Base interactions energy: -196.762
where: short stacking energy: -75.692
Base-Backbone interact. energy: -0.863
local terms energy: -92.608338
where:
bonds (distance) C4'-P energy: -16.046
bonds (distance) P-C4' energy: -18.271
flat angles C4'-P-C4' energy: -19.949
flat angles P-C4'-P energy: -11.789
tors. eta vs tors. theta energy: -26.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -288.464384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.464384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.464384 (E_RNA)
where:
Base-Base interactions energy: -195.973
where: short stacking energy: -83.674
Base-Backbone interact. energy: -0.016
local terms energy: -92.474453
where:
bonds (distance) C4'-P energy: -12.513
bonds (distance) P-C4' energy: -19.014
flat angles C4'-P-C4' energy: -20.243
flat angles P-C4'-P energy: -15.138
tors. eta vs tors. theta energy: -25.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -269.510747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.510747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.510747 (E_RNA)
where:
Base-Base interactions energy: -189.097
where: short stacking energy: -76.102
Base-Backbone interact. energy: -0.586
local terms energy: -79.827458
where:
bonds (distance) C4'-P energy: -15.748
bonds (distance) P-C4' energy: -17.947
flat angles C4'-P-C4' energy: -18.047
flat angles P-C4'-P energy: -7.319
tors. eta vs tors. theta energy: -20.766
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: 5, replica: 3
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -203.659719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.659719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.659719 (E_RNA)
where:
Base-Base interactions energy: -126.223
where: short stacking energy: -59.447
Base-Backbone interact. energy: -0.094
local terms energy: -77.343281
where:
bonds (distance) C4'-P energy: -12.742
bonds (distance) P-C4' energy: -18.775
flat angles C4'-P-C4' energy: -15.647
flat angles P-C4'-P energy: -13.405
tors. eta vs tors. theta energy: -16.774
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: 6, replica: 7
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -186.863307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.863307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.863307 (E_RNA)
where:
Base-Base interactions energy: -109.178
where: short stacking energy: -56.989
Base-Backbone interact. energy: -0.169
local terms energy: -77.516019
where:
bonds (distance) C4'-P energy: -16.154
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -20.098
flat angles P-C4'-P energy: -13.919
tors. eta vs tors. theta energy: -13.474
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: 7, replica: 8
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -173.842106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.842106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.842106 (E_RNA)
where:
Base-Base interactions energy: -115.001
where: short stacking energy: -50.660
Base-Backbone interact. energy: 0.408
local terms energy: -59.249048
where:
bonds (distance) C4'-P energy: -18.215
bonds (distance) P-C4' energy: -14.013
flat angles C4'-P-C4' energy: -11.381
flat angles P-C4'-P energy: -4.341
tors. eta vs tors. theta energy: -11.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -132.086266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.086266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.086266 (E_RNA)
where:
Base-Base interactions energy: -65.222
where: short stacking energy: -40.588
Base-Backbone interact. energy: -0.140
local terms energy: -66.724825
where:
bonds (distance) C4'-P energy: -16.842
bonds (distance) P-C4' energy: -14.195
flat angles C4'-P-C4' energy: -16.024
flat angles P-C4'-P energy: -9.997
tors. eta vs tors. theta energy: -9.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -110.998607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.998607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.998607 (E_RNA)
where:
Base-Base interactions energy: -50.939
where: short stacking energy: -43.121
Base-Backbone interact. energy: -0.144
local terms energy: -59.915915
where:
bonds (distance) C4'-P energy: -14.258
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -11.000
flat angles P-C4'-P energy: -10.786
tors. eta vs tors. theta energy: -9.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -80.849969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.849969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.849969 (E_RNA)
where:
Base-Base interactions energy: -28.009
where: short stacking energy: -28.009
Base-Backbone interact. energy: -0.234
local terms energy: -52.606271
where:
bonds (distance) C4'-P energy: -16.414
bonds (distance) P-C4' energy: -13.899
flat angles C4'-P-C4' energy: -18.183
flat angles P-C4'-P energy: -9.303
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: 1, replica: 5
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -292.710951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.710951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.710951 (E_RNA)
where:
Base-Base interactions energy: -198.573
where: short stacking energy: -80.839
Base-Backbone interact. energy: -2.494
local terms energy: -91.643781
where:
bonds (distance) C4'-P energy: -16.403
bonds (distance) P-C4' energy: -19.488
flat angles C4'-P-C4' energy: -19.052
flat angles P-C4'-P energy: -13.921
tors. eta vs tors. theta energy: -22.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -289.517953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.517953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.517953 (E_RNA)
where:
Base-Base interactions energy: -189.895
where: short stacking energy: -80.276
Base-Backbone interact. energy: -1.182
local terms energy: -98.440353
where:
bonds (distance) C4'-P energy: -19.293
bonds (distance) P-C4' energy: -21.793
flat angles C4'-P-C4' energy: -19.753
flat angles P-C4'-P energy: -14.925
tors. eta vs tors. theta energy: -22.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -286.414871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.414871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.414871 (E_RNA)
where:
Base-Base interactions energy: -194.104
where: short stacking energy: -82.058
Base-Backbone interact. energy: -2.472
local terms energy: -89.838342
where:
bonds (distance) C4'-P energy: -17.558
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -10.773
flat angles P-C4'-P energy: -15.992
tors. eta vs tors. theta energy: -27.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -277.271537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.271537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.271537 (E_RNA)
where:
Base-Base interactions energy: -189.411
where: short stacking energy: -84.352
Base-Backbone interact. energy: -0.387
local terms energy: -87.473944
where:
bonds (distance) C4'-P energy: -16.267
bonds (distance) P-C4' energy: -18.554
flat angles C4'-P-C4' energy: -17.991
flat angles P-C4'-P energy: -13.375
tors. eta vs tors. theta energy: -21.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -218.080199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.080199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.080199 (E_RNA)
where:
Base-Base interactions energy: -142.240
where: short stacking energy: -60.960
Base-Backbone interact. energy: -0.126
local terms energy: -75.714618
where:
bonds (distance) C4'-P energy: -18.468
bonds (distance) P-C4' energy: -14.573
flat angles C4'-P-C4' energy: -17.730
flat angles P-C4'-P energy: -9.732
tors. eta vs tors. theta energy: -15.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -185.336597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.336597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.336597 (E_RNA)
where:
Base-Base interactions energy: -111.316
where: short stacking energy: -52.941
Base-Backbone interact. energy: -0.152
local terms energy: -73.868330
where:
bonds (distance) C4'-P energy: -15.710
bonds (distance) P-C4' energy: -16.825
flat angles C4'-P-C4' energy: -19.069
flat angles P-C4'-P energy: -12.451
tors. eta vs tors. theta energy: -9.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -260.572513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.572513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.572513 (E_RNA)
where:
Base-Base interactions energy: -177.417
where: short stacking energy: -70.780
Base-Backbone interact. energy: -0.105
local terms energy: -83.051054
where:
bonds (distance) C4'-P energy: -16.032
bonds (distance) P-C4' energy: -17.388
flat angles C4'-P-C4' energy: -13.928
flat angles P-C4'-P energy: -13.323
tors. eta vs tors. theta energy: -22.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -89.723720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.723720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.723720 (E_RNA)
where:
Base-Base interactions energy: -29.261
where: short stacking energy: -24.047
Base-Backbone interact. energy: -0.375
local terms energy: -60.087280
where:
bonds (distance) C4'-P energy: -18.397
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -15.184
flat angles P-C4'-P energy: -10.673
tors. eta vs tors. theta energy: -0.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -96.620907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.620907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.620907 (E_RNA)
where:
Base-Base interactions energy: -36.696
where: short stacking energy: -29.910
Base-Backbone interact. energy: 0.013
local terms energy: -59.938554
where:
bonds (distance) C4'-P energy: -17.218
bonds (distance) P-C4' energy: -15.098
flat angles C4'-P-C4' energy: -13.804
flat angles P-C4'-P energy: -8.530
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: 10, replica: 6
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -90.381571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.381571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.381571 (E_RNA)
where:
Base-Base interactions energy: -27.280
where: short stacking energy: -23.504
Base-Backbone interact. energy: -0.255
local terms energy: -62.846416
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -19.828
flat angles C4'-P-C4' energy: -13.967
flat angles P-C4'-P energy: -9.120
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: 1, replica: 5
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -290.025398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.025398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.025398 (E_RNA)
where:
Base-Base interactions energy: -198.116
where: short stacking energy: -74.958
Base-Backbone interact. energy: -1.291
local terms energy: -90.618522
where:
bonds (distance) C4'-P energy: -19.243
bonds (distance) P-C4' energy: -21.831
flat angles C4'-P-C4' energy: -15.712
flat angles P-C4'-P energy: -12.247
tors. eta vs tors. theta energy: -21.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -288.955031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.955031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.955031 (E_RNA)
where:
Base-Base interactions energy: -192.980
where: short stacking energy: -80.208
Base-Backbone interact. energy: -1.142
local terms energy: -94.833060
where:
bonds (distance) C4'-P energy: -16.453
bonds (distance) P-C4' energy: -20.709
flat angles C4'-P-C4' energy: -20.581
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -25.902
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: 3, replica: 1
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -277.655668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.655668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.655668 (E_RNA)
where:
Base-Base interactions energy: -192.652
where: short stacking energy: -72.772
Base-Backbone interact. energy: 0.435
local terms energy: -85.439337
where:
bonds (distance) C4'-P energy: -15.579
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -16.266
flat angles P-C4'-P energy: -11.476
tors. eta vs tors. theta energy: -25.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -276.312041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.312041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.312041 (E_RNA)
where:
Base-Base interactions energy: -191.089
where: short stacking energy: -75.329
Base-Backbone interact. energy: -0.004
local terms energy: -85.218786
where:
bonds (distance) C4'-P energy: -14.824
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -17.122
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: -25.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -189.787917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.787917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.787917 (E_RNA)
where:
Base-Base interactions energy: -109.638
where: short stacking energy: -53.078
Base-Backbone interact. energy: -2.330
local terms energy: -77.819696
where:
bonds (distance) C4'-P energy: -20.832
bonds (distance) P-C4' energy: -12.922
flat angles C4'-P-C4' energy: -14.333
flat angles P-C4'-P energy: -16.788
tors. eta vs tors. theta energy: -12.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 42
Temperature: 1.150000
Total energy: -193.107886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.107886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.107886 (E_RNA)
where:
Base-Base interactions energy: -116.644
where: short stacking energy: -50.665
Base-Backbone interact. energy: -0.575
local terms energy: -75.889271
where:
bonds (distance) C4'-P energy: -11.548
bonds (distance) P-C4' energy: -20.813
flat angles C4'-P-C4' energy: -19.193
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: -14.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -245.604190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.604190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.604190 (E_RNA)
where:
Base-Base interactions energy: -159.899
where: short stacking energy: -63.245
Base-Backbone interact. energy: -0.352
local terms energy: -85.353129
where:
bonds (distance) C4'-P energy: -13.811
bonds (distance) P-C4' energy: -20.092
flat angles C4'-P-C4' energy: -19.666
flat angles P-C4'-P energy: -13.717
tors. eta vs tors. theta energy: -18.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -89.562189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.562189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.562189 (E_RNA)
where:
Base-Base interactions energy: -37.314
where: short stacking energy: -34.053
Base-Backbone interact. energy: -0.811
local terms energy: -51.436840
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -14.037
flat angles C4'-P-C4' energy: -16.509
flat angles P-C4'-P energy: -2.936
tors. eta vs tors. theta energy: -2.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -89.213826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.213826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.213826 (E_RNA)
where:
Base-Base interactions energy: -38.333
where: short stacking energy: -35.113
Base-Backbone interact. energy: -0.136
local terms energy: -50.745498
where:
bonds (distance) C4'-P energy: -11.075
bonds (distance) P-C4' energy: -16.210
flat angles C4'-P-C4' energy: -14.225
flat angles P-C4'-P energy: -7.532
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: 10, replica: 6
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -81.545368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.545368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.545368 (E_RNA)
where:
Base-Base interactions energy: -26.854
where: short stacking energy: -24.751
Base-Backbone interact. energy: -0.292
local terms energy: -54.399162
where:
bonds (distance) C4'-P energy: -15.879
bonds (distance) P-C4' energy: -19.645
flat angles C4'-P-C4' energy: -15.731
flat angles P-C4'-P energy: -0.899
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: 1, replica: 5
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -286.054764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.054764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.054764 (E_RNA)
where:
Base-Base interactions energy: -196.036
where: short stacking energy: -75.522
Base-Backbone interact. energy: -2.326
local terms energy: -87.691998
where:
bonds (distance) C4'-P energy: -16.377
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -20.270
flat angles P-C4'-P energy: -12.016
tors. eta vs tors. theta energy: -21.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -290.459837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.459837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.459837 (E_RNA)
where:
Base-Base interactions energy: -198.284
where: short stacking energy: -81.209
Base-Backbone interact. energy: -0.281
local terms energy: -91.894725
where:
bonds (distance) C4'-P energy: -19.206
bonds (distance) P-C4' energy: -20.442
flat angles C4'-P-C4' energy: -19.155
flat angles P-C4'-P energy: -12.916
tors. eta vs tors. theta energy: -20.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -277.118681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.118681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.118681 (E_RNA)
where:
Base-Base interactions energy: -188.745
where: short stacking energy: -78.227
Base-Backbone interact. energy: -0.048
local terms energy: -88.325771
where:
bonds (distance) C4'-P energy: -16.991
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -19.103
flat angles P-C4'-P energy: -15.024
tors. eta vs tors. theta energy: -22.083
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: 10
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -279.553265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.553265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.553265 (E_RNA)
where:
Base-Base interactions energy: -201.333
where: short stacking energy: -76.110
Base-Backbone interact. energy: -0.121
local terms energy: -78.098550
where:
bonds (distance) C4'-P energy: -15.889
bonds (distance) P-C4' energy: -20.887
flat angles C4'-P-C4' energy: -16.294
flat angles P-C4'-P energy: -4.725
tors. eta vs tors. theta energy: -20.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -194.432491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.432491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.432491 (E_RNA)
where:
Base-Base interactions energy: -128.971
where: short stacking energy: -57.328
Base-Backbone interact. energy: -0.696
local terms energy: -64.765711
where:
bonds (distance) C4'-P energy: -14.002
bonds (distance) P-C4' energy: -16.674
flat angles C4'-P-C4' energy: -12.636
flat angles P-C4'-P energy: -6.457
tors. eta vs tors. theta energy: -14.996
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: 7
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -264.110645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.110645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.110645 (E_RNA)
where:
Base-Base interactions energy: -178.426
where: short stacking energy: -74.712
Base-Backbone interact. energy: -0.555
local terms energy: -85.129334
where:
bonds (distance) C4'-P energy: -12.529
bonds (distance) P-C4' energy: -18.480
flat angles C4'-P-C4' energy: -20.099
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: -21.888
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: 8
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -165.885468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.885468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.885468 (E_RNA)
where:
Base-Base interactions energy: -103.791
where: short stacking energy: -43.461
Base-Backbone interact. energy: -0.216
local terms energy: -61.879137
where:
bonds (distance) C4'-P energy: -14.304
bonds (distance) P-C4' energy: -14.988
flat angles C4'-P-C4' energy: -11.841
flat angles P-C4'-P energy: -13.890
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: 8, replica: 2
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -97.114460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.114460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.114460 (E_RNA)
where:
Base-Base interactions energy: -35.429
where: short stacking energy: -27.573
Base-Backbone interact. energy: -0.784
local terms energy: -60.901929
where:
bonds (distance) C4'-P energy: -14.991
bonds (distance) P-C4' energy: -14.359
flat angles C4'-P-C4' energy: -17.947
flat angles P-C4'-P energy: -9.782
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: 9, replica: 4
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -86.630231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.630231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.630231 (E_RNA)
where:
Base-Base interactions energy: -40.201
where: short stacking energy: -26.280
Base-Backbone interact. energy: -0.444
local terms energy: -45.985779
where:
bonds (distance) C4'-P energy: -12.518
bonds (distance) P-C4' energy: -11.979
flat angles C4'-P-C4' energy: -13.665
flat angles P-C4'-P energy: -10.909
tors. eta vs tors. theta energy: 3.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -102.089806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.089806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.089806 (E_RNA)
where:
Base-Base interactions energy: -33.229
where: short stacking energy: -33.229
Base-Backbone interact. energy: -0.150
local terms energy: -68.710504
where:
bonds (distance) C4'-P energy: -17.831
bonds (distance) P-C4' energy: -20.063
flat angles C4'-P-C4' energy: -13.591
flat angles P-C4'-P energy: -13.164
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: 1, replica: 1
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -290.077561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.077561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.077561 (E_RNA)
where:
Base-Base interactions energy: -194.318
where: short stacking energy: -79.688
Base-Backbone interact. energy: -0.098
local terms energy: -95.660898
where:
bonds (distance) C4'-P energy: -19.378
bonds (distance) P-C4' energy: -21.560
flat angles C4'-P-C4' energy: -17.552
flat angles P-C4'-P energy: -15.651
tors. eta vs tors. theta energy: -21.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -290.307288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.307288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.307288 (E_RNA)
where:
Base-Base interactions energy: -187.597
where: short stacking energy: -79.020
Base-Backbone interact. energy: -0.279
local terms energy: -102.432032
where:
bonds (distance) C4'-P energy: -18.388
bonds (distance) P-C4' energy: -19.347
flat angles C4'-P-C4' energy: -20.743
flat angles P-C4'-P energy: -16.545
tors. eta vs tors. theta energy: -27.409
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: 10
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -286.377082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.377082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.377082 (E_RNA)
where:
Base-Base interactions energy: -190.083
where: short stacking energy: -80.784
Base-Backbone interact. energy: -1.044
local terms energy: -95.250238
where:
bonds (distance) C4'-P energy: -15.819
bonds (distance) P-C4' energy: -18.167
flat angles C4'-P-C4' energy: -22.090
flat angles P-C4'-P energy: -14.937
tors. eta vs tors. theta energy: -24.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -269.426901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.426901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.426901 (E_RNA)
where:
Base-Base interactions energy: -182.039
where: short stacking energy: -73.828
Base-Backbone interact. energy: -0.054
local terms energy: -87.333208
where:
bonds (distance) C4'-P energy: -16.895
bonds (distance) P-C4' energy: -16.598
flat angles C4'-P-C4' energy: -19.347
flat angles P-C4'-P energy: -13.477
tors. eta vs tors. theta energy: -21.017
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: 7
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -268.462777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.462777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.462777 (E_RNA)
where:
Base-Base interactions energy: -181.080
where: short stacking energy: -62.291
Base-Backbone interact. energy: -0.551
local terms energy: -86.830997
where:
bonds (distance) C4'-P energy: -14.900
bonds (distance) P-C4' energy: -19.254
flat angles C4'-P-C4' energy: -19.965
flat angles P-C4'-P energy: -12.982
tors. eta vs tors. theta energy: -19.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -216.501785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.501785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.501785 (E_RNA)
where:
Base-Base interactions energy: -131.882
where: short stacking energy: -65.858
Base-Backbone interact. energy: -0.198
local terms energy: -84.421235
where:
bonds (distance) C4'-P energy: -18.647
bonds (distance) P-C4' energy: -17.350
flat angles C4'-P-C4' energy: -16.308
flat angles P-C4'-P energy: -11.467
tors. eta vs tors. theta energy: -20.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -108.198521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.198521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.198521 (E_RNA)
where:
Base-Base interactions energy: -38.209
where: short stacking energy: -35.952
Base-Backbone interact. energy: -0.077
local terms energy: -69.912307
where:
bonds (distance) C4'-P energy: -17.006
bonds (distance) P-C4' energy: -21.222
flat angles C4'-P-C4' energy: -15.763
flat angles P-C4'-P energy: -6.037
tors. eta vs tors. theta energy: -9.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -104.051233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.051233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.051233 (E_RNA)
where:
Base-Base interactions energy: -48.854
where: short stacking energy: -38.920
Base-Backbone interact. energy: 0.733
local terms energy: -55.930092
where:
bonds (distance) C4'-P energy: -17.007
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -13.378
flat angles P-C4'-P energy: -8.374
tors. eta vs tors. theta energy: -3.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -82.826263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.826263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.826263 (E_RNA)
where:
Base-Base interactions energy: -34.338
where: short stacking energy: -27.615
Base-Backbone interact. energy: -0.974
local terms energy: -47.514666
where:
bonds (distance) C4'-P energy: -18.509
bonds (distance) P-C4' energy: -12.985
flat angles C4'-P-C4' energy: -5.454
flat angles P-C4'-P energy: -12.230
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: 10, replica: 4
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -80.292719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.292719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.292719 (E_RNA)
where:
Base-Base interactions energy: -28.640
where: short stacking energy: -21.448
Base-Backbone interact. energy: -0.217
local terms energy: -51.436164
where:
bonds (distance) C4'-P energy: -18.504
bonds (distance) P-C4' energy: -12.284
flat angles C4'-P-C4' energy: -8.391
flat angles P-C4'-P energy: -11.501
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: 1
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -289.546108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.546108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.546108 (E_RNA)
where:
Base-Base interactions energy: -196.503
where: short stacking energy: -77.127
Base-Backbone interact. energy: 0.067
local terms energy: -93.110260
where:
bonds (distance) C4'-P energy: -18.498
bonds (distance) P-C4' energy: -20.151
flat angles C4'-P-C4' energy: -18.728
flat angles P-C4'-P energy: -14.462
tors. eta vs tors. theta energy: -21.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -283.026673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.026673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.026673 (E_RNA)
where:
Base-Base interactions energy: -189.638
where: short stacking energy: -74.865
Base-Backbone interact. energy: -0.017
local terms energy: -93.371375
where:
bonds (distance) C4'-P energy: -18.382
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -17.763
flat angles P-C4'-P energy: -15.348
tors. eta vs tors. theta energy: -25.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -280.052397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.052397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.052397 (E_RNA)
where:
Base-Base interactions energy: -183.329
where: short stacking energy: -76.516
Base-Backbone interact. energy: 0.095
local terms energy: -96.818225
where:
bonds (distance) C4'-P energy: -18.841
bonds (distance) P-C4' energy: -19.277
flat angles C4'-P-C4' energy: -18.891
flat angles P-C4'-P energy: -14.459
tors. eta vs tors. theta energy: -25.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -271.232388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.232388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.232388 (E_RNA)
where:
Base-Base interactions energy: -184.968
where: short stacking energy: -79.877
Base-Backbone interact. energy: -0.323
local terms energy: -85.941340
where:
bonds (distance) C4'-P energy: -14.751
bonds (distance) P-C4' energy: -17.232
flat angles C4'-P-C4' energy: -17.654
flat angles P-C4'-P energy: -10.625
tors. eta vs tors. theta energy: -25.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -262.133346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.133346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.133346 (E_RNA)
where:
Base-Base interactions energy: -173.522
where: short stacking energy: -68.640
Base-Backbone interact. energy: -0.054
local terms energy: -88.557087
where:
bonds (distance) C4'-P energy: -11.458
bonds (distance) P-C4' energy: -18.673
flat angles C4'-P-C4' energy: -20.484
flat angles P-C4'-P energy: -16.571
tors. eta vs tors. theta energy: -21.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -203.631928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.631928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.631928 (E_RNA)
where:
Base-Base interactions energy: -122.768
where: short stacking energy: -56.439
Base-Backbone interact. energy: -0.097
local terms energy: -80.766728
where:
bonds (distance) C4'-P energy: -17.388
bonds (distance) P-C4' energy: -14.897
flat angles C4'-P-C4' energy: -17.900
flat angles P-C4'-P energy: -14.200
tors. eta vs tors. theta energy: -16.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -106.698141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.698141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.698141 (E_RNA)
where:
Base-Base interactions energy: -40.189
where: short stacking energy: -40.189
Base-Backbone interact. energy: -0.003
local terms energy: -66.506189
where:
bonds (distance) C4'-P energy: -19.435
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -18.108
flat angles P-C4'-P energy: -11.589
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: 8, replica: 6
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -96.675453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.675453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.675453 (E_RNA)
where:
Base-Base interactions energy: -34.956
where: short stacking energy: -32.663
Base-Backbone interact. energy: -0.288
local terms energy: -61.430957
where:
bonds (distance) C4'-P energy: -17.417
bonds (distance) P-C4' energy: -17.628
flat angles C4'-P-C4' energy: -10.587
flat angles P-C4'-P energy: -11.720
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: 9, replica: 8
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -102.869013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.869013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.869013 (E_RNA)
where:
Base-Base interactions energy: -47.219
where: short stacking energy: -29.894
Base-Backbone interact. energy: 4.512
local terms energy: -60.162022
where:
bonds (distance) C4'-P energy: -19.453
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -10.862
flat angles P-C4'-P energy: -10.809
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: 10, replica: 4
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -90.801566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.801566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.801566 (E_RNA)
where:
Base-Base interactions energy: -29.859
where: short stacking energy: -28.010
Base-Backbone interact. energy: -0.230
local terms energy: -60.712508
where:
bonds (distance) C4'-P energy: -16.490
bonds (distance) P-C4' energy: -18.991
flat angles C4'-P-C4' energy: -14.914
flat angles P-C4'-P energy: -5.451
tors. eta vs tors. theta energy: -4.867
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: 10
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -297.725930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.725930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.725930 (E_RNA)
where:
Base-Base interactions energy: -202.129
where: short stacking energy: -85.399
Base-Backbone interact. energy: -1.829
local terms energy: -93.768539
where:
bonds (distance) C4'-P energy: -19.391
bonds (distance) P-C4' energy: -17.142
flat angles C4'-P-C4' energy: -21.420
flat angles P-C4'-P energy: -9.746
tors. eta vs tors. theta energy: -26.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -278.398139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.398139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.398139 (E_RNA)
where:
Base-Base interactions energy: -183.057
where: short stacking energy: -73.437
Base-Backbone interact. energy: -0.036
local terms energy: -95.304790
where:
bonds (distance) C4'-P energy: -20.894
bonds (distance) P-C4' energy: -20.210
flat angles C4'-P-C4' energy: -19.233
flat angles P-C4'-P energy: -12.846
tors. eta vs tors. theta energy: -22.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -282.933769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.933769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.933769 (E_RNA)
where:
Base-Base interactions energy: -187.916
where: short stacking energy: -77.884
Base-Backbone interact. energy: -0.402
local terms energy: -94.615411
where:
bonds (distance) C4'-P energy: -17.226
bonds (distance) P-C4' energy: -18.351
flat angles C4'-P-C4' energy: -19.822
flat angles P-C4'-P energy: -13.229
tors. eta vs tors. theta energy: -25.987
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: 7
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -275.570498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.570498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.570498 (E_RNA)
where:
Base-Base interactions energy: -189.232
where: short stacking energy: -70.786
Base-Backbone interact. energy: -1.053
local terms energy: -85.285198
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -14.826
flat angles C4'-P-C4' energy: -20.857
flat angles P-C4'-P energy: -16.790
tors. eta vs tors. theta energy: -18.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -263.839130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.839130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.839130 (E_RNA)
where:
Base-Base interactions energy: -179.053
where: short stacking energy: -74.933
Base-Backbone interact. energy: -0.085
local terms energy: -84.700649
where:
bonds (distance) C4'-P energy: -13.955
bonds (distance) P-C4' energy: -18.646
flat angles C4'-P-C4' energy: -19.590
flat angles P-C4'-P energy: -12.019
tors. eta vs tors. theta energy: -20.491
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: 3
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -198.912944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.912944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.912944 (E_RNA)
where:
Base-Base interactions energy: -123.522
where: short stacking energy: -55.475
Base-Backbone interact. energy: -0.012
local terms energy: -75.378766
where:
bonds (distance) C4'-P energy: -16.473
bonds (distance) P-C4' energy: -17.455
flat angles C4'-P-C4' energy: -17.519
flat angles P-C4'-P energy: -7.278
tors. eta vs tors. theta energy: -16.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -107.471073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.471073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.471073 (E_RNA)
where:
Base-Base interactions energy: -50.628
where: short stacking energy: -25.175
Base-Backbone interact. energy: -0.268
local terms energy: -56.575099
where:
bonds (distance) C4'-P energy: -15.939
bonds (distance) P-C4' energy: -19.844
flat angles C4'-P-C4' energy: -17.993
flat angles P-C4'-P energy: -1.766
tors. eta vs tors. theta energy: -1.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -108.953079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.953079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.953079 (E_RNA)
where:
Base-Base interactions energy: -44.517
where: short stacking energy: -44.517
Base-Backbone interact. energy: -0.022
local terms energy: -64.413929
where:
bonds (distance) C4'-P energy: -13.972
bonds (distance) P-C4' energy: -13.310
flat angles C4'-P-C4' energy: -17.407
flat angles P-C4'-P energy: -10.493
tors. eta vs tors. theta energy: -9.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -97.385271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.385271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.385271 (E_RNA)
where:
Base-Base interactions energy: -39.571
where: short stacking energy: -39.571
Base-Backbone interact. energy: -0.214
local terms energy: -57.601195
where:
bonds (distance) C4'-P energy: -13.018
bonds (distance) P-C4' energy: -16.779
flat angles C4'-P-C4' energy: -18.845
flat angles P-C4'-P energy: -3.709
tors. eta vs tors. theta energy: -5.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -89.586604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.586604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.586604 (E_RNA)
where:
Base-Base interactions energy: -37.168
where: short stacking energy: -37.168
Base-Backbone interact. energy: -0.048
local terms energy: -52.370106
where:
bonds (distance) C4'-P energy: -12.817
bonds (distance) P-C4' energy: -14.141
flat angles C4'-P-C4' energy: -9.491
flat angles P-C4'-P energy: -11.426
tors. eta vs tors. theta energy: -4.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -295.259616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.259616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.259616 (E_RNA)
where:
Base-Base interactions energy: -198.285
where: short stacking energy: -77.114
Base-Backbone interact. energy: -0.040
local terms energy: -96.934582
where:
bonds (distance) C4'-P energy: -15.136
bonds (distance) P-C4' energy: -21.114
flat angles C4'-P-C4' energy: -22.025
flat angles P-C4'-P energy: -15.195
tors. eta vs tors. theta energy: -23.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -282.438424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.438424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.438424 (E_RNA)
where:
Base-Base interactions energy: -191.311
where: short stacking energy: -75.349
Base-Backbone interact. energy: -1.547
local terms energy: -89.580966
where:
bonds (distance) C4'-P energy: -19.138
bonds (distance) P-C4' energy: -16.256
flat angles C4'-P-C4' energy: -17.595
flat angles P-C4'-P energy: -13.209
tors. eta vs tors. theta energy: -23.383
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: 5
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -293.832620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.832620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.832620 (E_RNA)
where:
Base-Base interactions energy: -195.912
where: short stacking energy: -78.351
Base-Backbone interact. energy: -0.046
local terms energy: -97.874225
where:
bonds (distance) C4'-P energy: -18.230
bonds (distance) P-C4' energy: -18.702
flat angles C4'-P-C4' energy: -22.307
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: -26.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -280.228895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.228895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.228895 (E_RNA)
where:
Base-Base interactions energy: -193.312
where: short stacking energy: -72.099
Base-Backbone interact. energy: -0.181
local terms energy: -86.735596
where:
bonds (distance) C4'-P energy: -19.702
bonds (distance) P-C4' energy: -13.665
flat angles C4'-P-C4' energy: -18.425
flat angles P-C4'-P energy: -13.497
tors. eta vs tors. theta energy: -21.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -270.162839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.162839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.162839 (E_RNA)
where:
Base-Base interactions energy: -182.015
where: short stacking energy: -72.226
Base-Backbone interact. energy: -0.212
local terms energy: -87.936508
where:
bonds (distance) C4'-P energy: -19.201
bonds (distance) P-C4' energy: -15.879
flat angles C4'-P-C4' energy: -15.515
flat angles P-C4'-P energy: -15.276
tors. eta vs tors. theta energy: -22.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -199.626969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.626969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.626969 (E_RNA)
where:
Base-Base interactions energy: -117.720
where: short stacking energy: -60.712
Base-Backbone interact. energy: -0.051
local terms energy: -81.855311
where:
bonds (distance) C4'-P energy: -19.023
bonds (distance) P-C4' energy: -17.584
flat angles C4'-P-C4' energy: -17.087
flat angles P-C4'-P energy: -12.260
tors. eta vs tors. theta energy: -15.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -101.040956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.040956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.040956 (E_RNA)
where:
Base-Base interactions energy: -36.609
where: short stacking energy: -36.809
Base-Backbone interact. energy: -0.404
local terms energy: -64.028312
where:
bonds (distance) C4'-P energy: -13.964
bonds (distance) P-C4' energy: -14.687
flat angles C4'-P-C4' energy: -18.981
flat angles P-C4'-P energy: -12.820
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: 8, replica: 6
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -101.365377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.365377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.365377 (E_RNA)
where:
Base-Base interactions energy: -37.312
where: short stacking energy: -37.312
Base-Backbone interact. energy: 0.223
local terms energy: -64.276285
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -19.505
flat angles C4'-P-C4' energy: -13.172
flat angles P-C4'-P energy: -11.558
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: 9, replica: 4
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -100.862392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.862392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.862392 (E_RNA)
where:
Base-Base interactions energy: -51.393
where: short stacking energy: -26.957
Base-Backbone interact. energy: -1.026
local terms energy: -48.443113
where:
bonds (distance) C4'-P energy: -10.837
bonds (distance) P-C4' energy: -13.170
flat angles C4'-P-C4' energy: -20.078
flat angles P-C4'-P energy: -5.979
tors. eta vs tors. theta energy: 1.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -107.719526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.719526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.719526 (E_RNA)
where:
Base-Base interactions energy: -43.026
where: short stacking energy: -20.832
Base-Backbone interact. energy: -0.372
local terms energy: -64.321540
where:
bonds (distance) C4'-P energy: -15.333
bonds (distance) P-C4' energy: -18.831
flat angles C4'-P-C4' energy: -15.711
flat angles P-C4'-P energy: -10.992
tors. eta vs tors. theta energy: -3.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -300.442056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.442056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.442056 (E_RNA)
where:
Base-Base interactions energy: -208.570
where: short stacking energy: -86.011
Base-Backbone interact. energy: -0.048
local terms energy: -91.824584
where:
bonds (distance) C4'-P energy: -17.524
bonds (distance) P-C4' energy: -15.707
flat angles C4'-P-C4' energy: -19.751
flat angles P-C4'-P energy: -14.537
tors. eta vs tors. theta energy: -24.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -284.677176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.677176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.677176 (E_RNA)
where:
Base-Base interactions energy: -195.997
where: short stacking energy: -73.615
Base-Backbone interact. energy: -1.318
local terms energy: -87.362618
where:
bonds (distance) C4'-P energy: -16.733
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -21.174
flat angles P-C4'-P energy: -12.877
tors. eta vs tors. theta energy: -18.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -279.980144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.980144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.980144 (E_RNA)
where:
Base-Base interactions energy: -190.114
where: short stacking energy: -72.034
Base-Backbone interact. energy: -0.511
local terms energy: -89.355280
where:
bonds (distance) C4'-P energy: -18.087
bonds (distance) P-C4' energy: -18.443
flat angles C4'-P-C4' energy: -18.990
flat angles P-C4'-P energy: -11.098
tors. eta vs tors. theta energy: -22.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -280.251218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.251218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.251218 (E_RNA)
where:
Base-Base interactions energy: -181.501
where: short stacking energy: -70.322
Base-Backbone interact. energy: -0.486
local terms energy: -98.263741
where:
bonds (distance) C4'-P energy: -17.482
bonds (distance) P-C4' energy: -21.961
flat angles C4'-P-C4' energy: -20.337
flat angles P-C4'-P energy: -12.948
tors. eta vs tors. theta energy: -25.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -277.458072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.458072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.458072 (E_RNA)
where:
Base-Base interactions energy: -192.533
where: short stacking energy: -81.078
Base-Backbone interact. energy: 0.092
local terms energy: -85.016575
where:
bonds (distance) C4'-P energy: -11.943
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -18.477
flat angles P-C4'-P energy: -14.685
tors. eta vs tors. theta energy: -25.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -147.859121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.859121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.859121 (E_RNA)
where:
Base-Base interactions energy: -84.460
where: short stacking energy: -37.898
Base-Backbone interact. energy: -0.206
local terms energy: -63.193857
where:
bonds (distance) C4'-P energy: -11.914
bonds (distance) P-C4' energy: -16.884
flat angles C4'-P-C4' energy: -18.038
flat angles P-C4'-P energy: -13.352
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: 7, replica: 6
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -121.677855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.677855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.677855 (E_RNA)
where:
Base-Base interactions energy: -64.100
where: short stacking energy: -40.743
Base-Backbone interact. energy: -0.339
local terms energy: -57.238642
where:
bonds (distance) C4'-P energy: -10.539
bonds (distance) P-C4' energy: -13.367
flat angles C4'-P-C4' energy: -18.785
flat angles P-C4'-P energy: -11.742
tors. eta vs tors. theta energy: -2.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -101.398958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.398958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.398958 (E_RNA)
where:
Base-Base interactions energy: -38.810
where: short stacking energy: -34.579
Base-Backbone interact. energy: -0.071
local terms energy: -62.518140
where:
bonds (distance) C4'-P energy: -11.781
bonds (distance) P-C4' energy: -22.184
flat angles C4'-P-C4' energy: -14.391
flat angles P-C4'-P energy: -7.704
tors. eta vs tors. theta energy: -6.458
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: 4
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -90.121754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.121754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.121754 (E_RNA)
where:
Base-Base interactions energy: -30.266
where: short stacking energy: -21.864
Base-Backbone interact. energy: -0.473
local terms energy: -59.383010
where:
bonds (distance) C4'-P energy: -20.016
bonds (distance) P-C4' energy: -17.878
flat angles C4'-P-C4' energy: -13.455
flat angles P-C4'-P energy: -7.476
tors. eta vs tors. theta energy: -0.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -108.496951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.496951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.496951 (E_RNA)
where:
Base-Base interactions energy: -40.610
where: short stacking energy: -28.327
Base-Backbone interact. energy: -0.911
local terms energy: -66.975995
where:
bonds (distance) C4'-P energy: -17.074
bonds (distance) P-C4' energy: -18.921
flat angles C4'-P-C4' energy: -17.463
flat angles P-C4'-P energy: -9.366
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: 1, replica: 10
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -297.525720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.525720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.525720 (E_RNA)
where:
Base-Base interactions energy: -195.636
where: short stacking energy: -84.445
Base-Backbone interact. energy: -0.008
local terms energy: -101.881395
where:
bonds (distance) C4'-P energy: -20.210
bonds (distance) P-C4' energy: -21.179
flat angles C4'-P-C4' energy: -20.187
flat angles P-C4'-P energy: -15.387
tors. eta vs tors. theta energy: -24.918
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: 1
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -290.048396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.048396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.048396 (E_RNA)
where:
Base-Base interactions energy: -203.649
where: short stacking energy: -70.188
Base-Backbone interact. energy: -0.061
local terms energy: -86.338477
where:
bonds (distance) C4'-P energy: -17.074
bonds (distance) P-C4' energy: -20.782
flat angles C4'-P-C4' energy: -20.459
flat angles P-C4'-P energy: -6.826
tors. eta vs tors. theta energy: -21.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -282.826201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.826201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.826201 (E_RNA)
where:
Base-Base interactions energy: -189.062
where: short stacking energy: -89.801
Base-Backbone interact. energy: -0.024
local terms energy: -93.740323
where:
bonds (distance) C4'-P energy: -14.604
bonds (distance) P-C4' energy: -19.936
flat angles C4'-P-C4' energy: -19.089
flat angles P-C4'-P energy: -15.322
tors. eta vs tors. theta energy: -24.789
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: 9
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -282.258054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.258054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.258054 (E_RNA)
where:
Base-Base interactions energy: -189.481
where: short stacking energy: -77.920
Base-Backbone interact. energy: -0.928
local terms energy: -91.849267
where:
bonds (distance) C4'-P energy: -18.177
bonds (distance) P-C4' energy: -16.054
flat angles C4'-P-C4' energy: -16.521
flat angles P-C4'-P energy: -15.421
tors. eta vs tors. theta energy: -25.677
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: 5
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -267.337666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.337666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.337666 (E_RNA)
where:
Base-Base interactions energy: -178.345
where: short stacking energy: -70.654
Base-Backbone interact. energy: -0.559
local terms energy: -88.433198
where:
bonds (distance) C4'-P energy: -16.874
bonds (distance) P-C4' energy: -13.708
flat angles C4'-P-C4' energy: -17.486
flat angles P-C4'-P energy: -15.876
tors. eta vs tors. theta energy: -24.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -153.225851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.225851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.225851 (E_RNA)
where:
Base-Base interactions energy: -87.716
where: short stacking energy: -51.672
Base-Backbone interact. energy: -0.178
local terms energy: -65.332031
where:
bonds (distance) C4'-P energy: -14.452
bonds (distance) P-C4' energy: -13.418
flat angles C4'-P-C4' energy: -16.472
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -11.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 49
Temperature: 1.200000
Total energy: -106.944361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.944361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.944361 (E_RNA)
where:
Base-Base interactions energy: -40.115
where: short stacking energy: -36.097
Base-Backbone interact. energy: 0.390
local terms energy: -67.219026
where:
bonds (distance) C4'-P energy: -15.061
bonds (distance) P-C4' energy: -16.064
flat angles C4'-P-C4' energy: -17.383
flat angles P-C4'-P energy: -8.777
tors. eta vs tors. theta energy: -9.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -95.354911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.354911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.354911 (E_RNA)
where:
Base-Base interactions energy: -39.492
where: short stacking energy: -25.982
Base-Backbone interact. energy: -0.342
local terms energy: -55.520347
where:
bonds (distance) C4'-P energy: -16.866
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -15.688
flat angles P-C4'-P energy: -6.135
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: 9, replica: 4
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -101.226575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.226575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.226575 (E_RNA)
where:
Base-Base interactions energy: -39.171
where: short stacking energy: -39.171
Base-Backbone interact. energy: -0.146
local terms energy: -61.909303
where:
bonds (distance) C4'-P energy: -18.344
bonds (distance) P-C4' energy: -16.296
flat angles C4'-P-C4' energy: -12.073
flat angles P-C4'-P energy: -11.476
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: 10, replica: 8
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -89.501463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.501463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.501463 (E_RNA)
where:
Base-Base interactions energy: -37.031
where: short stacking energy: -12.652
Base-Backbone interact. energy: -0.132
local terms energy: -52.338781
where:
bonds (distance) C4'-P energy: -17.316
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -8.796
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: 1, replica: 1
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -291.647286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.647286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.647286 (E_RNA)
where:
Base-Base interactions energy: -193.731
where: short stacking energy: -75.754
Base-Backbone interact. energy: -1.500
local terms energy: -96.416343
where:
bonds (distance) C4'-P energy: -20.099
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -19.250
flat angles P-C4'-P energy: -15.110
tors. eta vs tors. theta energy: -24.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 50
Temperature: 0.950000
Total energy: -293.069240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.069240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.069240 (E_RNA)
where:
Base-Base interactions energy: -198.114
where: short stacking energy: -84.230
Base-Backbone interact. energy: 0.490
local terms energy: -95.445197
where:
bonds (distance) C4'-P energy: -21.013
bonds (distance) P-C4' energy: -16.605
flat angles C4'-P-C4' energy: -17.950
flat angles P-C4'-P energy: -11.182
tors. eta vs tors. theta energy: -28.695
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: 7
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -282.035627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.035627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.035627 (E_RNA)
where:
Base-Base interactions energy: -191.790
where: short stacking energy: -79.609
Base-Backbone interact. energy: -0.226
local terms energy: -90.018879
where:
bonds (distance) C4'-P energy: -17.904
bonds (distance) P-C4' energy: -19.166
flat angles C4'-P-C4' energy: -18.623
flat angles P-C4'-P energy: -9.338
tors. eta vs tors. theta energy: -24.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -281.504707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.504707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.504707 (E_RNA)
where:
Base-Base interactions energy: -187.444
where: short stacking energy: -74.910
Base-Backbone interact. energy: -0.061
local terms energy: -94.000068
where:
bonds (distance) C4'-P energy: -18.675
bonds (distance) P-C4' energy: -16.077
flat angles C4'-P-C4' energy: -18.509
flat angles P-C4'-P energy: -16.993
tors. eta vs tors. theta energy: -23.746
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: 5
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -264.771102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.771102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.771102 (E_RNA)
where:
Base-Base interactions energy: -179.601
where: short stacking energy: -71.297
Base-Backbone interact. energy: -0.302
local terms energy: -84.868621
where:
bonds (distance) C4'-P energy: -16.008
bonds (distance) P-C4' energy: -17.502
flat angles C4'-P-C4' energy: -20.587
flat angles P-C4'-P energy: -8.278
tors. eta vs tors. theta energy: -22.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -159.819264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.819264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.819264 (E_RNA)
where:
Base-Base interactions energy: -80.622
where: short stacking energy: -57.943
Base-Backbone interact. energy: -1.255
local terms energy: -77.942220
where:
bonds (distance) C4'-P energy: -15.364
bonds (distance) P-C4' energy: -18.785
flat angles C4'-P-C4' energy: -14.305
flat angles P-C4'-P energy: -12.891
tors. eta vs tors. theta energy: -16.597
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: 50
Temperature: 1.200000
Total energy: -100.756222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.756222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.756222 (E_RNA)
where:
Base-Base interactions energy: -45.725
where: short stacking energy: -36.051
Base-Backbone interact. energy: -0.115
local terms energy: -54.916032
where:
bonds (distance) C4'-P energy: -7.294
bonds (distance) P-C4' energy: -18.511
flat angles C4'-P-C4' energy: -14.239
flat angles P-C4'-P energy: -6.317
tors. eta vs tors. theta energy: -8.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -102.055726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.055726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.055726 (E_RNA)
where:
Base-Base interactions energy: -44.298
where: short stacking energy: -30.309
Base-Backbone interact. energy: 0.027
local terms energy: -57.785164
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -18.455
flat angles C4'-P-C4' energy: -9.092
flat angles P-C4'-P energy: -10.430
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: 9, replica: 8
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -94.157338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.157338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.157338 (E_RNA)
where:
Base-Base interactions energy: -31.546
where: short stacking energy: -29.485
Base-Backbone interact. energy: 0.204
local terms energy: -62.815730
where:
bonds (distance) C4'-P energy: -17.008
bonds (distance) P-C4' energy: -19.932
flat angles C4'-P-C4' energy: -14.896
flat angles P-C4'-P energy: -7.848
tors. eta vs tors. theta energy: -3.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -80.705962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.705962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.705962 (E_RNA)
where:
Base-Base interactions energy: -28.085
where: short stacking energy: -28.085
Base-Backbone interact. energy: -0.114
local terms energy: -52.507684
where:
bonds (distance) C4'-P energy: -15.985
bonds (distance) P-C4' energy: -13.782
flat angles C4'-P-C4' energy: -10.652
flat angles P-C4'-P energy: -11.314
tors. eta vs tors. theta energy: -0.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -294.895501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.895501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.895501 (E_RNA)
where:
Base-Base interactions energy: -208.333
where: short stacking energy: -77.311
Base-Backbone interact. energy: -1.114
local terms energy: -85.447623
where:
bonds (distance) C4'-P energy: -17.797
bonds (distance) P-C4' energy: -13.656
flat angles C4'-P-C4' energy: -18.198
flat angles P-C4'-P energy: -11.551
tors. eta vs tors. theta energy: -24.246
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: 51
Temperature: 0.950000
Total energy: -287.477947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.477947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.477947 (E_RNA)
where:
Base-Base interactions energy: -194.548
where: short stacking energy: -74.043
Base-Backbone interact. energy: -1.293
local terms energy: -91.637257
where:
bonds (distance) C4'-P energy: -20.191
bonds (distance) P-C4' energy: -14.275
flat angles C4'-P-C4' energy: -20.845
flat angles P-C4'-P energy: -11.820
tors. eta vs tors. theta energy: -24.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -288.345773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.345773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.345773 (E_RNA)
where:
Base-Base interactions energy: -194.053
where: short stacking energy: -77.875
Base-Backbone interact. energy: -0.661
local terms energy: -93.632058
where:
bonds (distance) C4'-P energy: -19.644
bonds (distance) P-C4' energy: -18.837
flat angles C4'-P-C4' energy: -21.384
flat angles P-C4'-P energy: -8.219
tors. eta vs tors. theta energy: -25.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -276.183981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.183981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.183981 (E_RNA)
where:
Base-Base interactions energy: -183.871
where: short stacking energy: -71.083
Base-Backbone interact. energy: -0.521
local terms energy: -91.791567
where:
bonds (distance) C4'-P energy: -16.328
bonds (distance) P-C4' energy: -13.734
flat angles C4'-P-C4' energy: -20.501
flat angles P-C4'-P energy: -17.105
tors. eta vs tors. theta energy: -24.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -272.727479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.727479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.727479 (E_RNA)
where:
Base-Base interactions energy: -180.235
where: short stacking energy: -76.426
Base-Backbone interact. energy: -0.749
local terms energy: -91.743559
where:
bonds (distance) C4'-P energy: -18.386
bonds (distance) P-C4' energy: -19.797
flat angles C4'-P-C4' energy: -19.990
flat angles P-C4'-P energy: -9.697
tors. eta vs tors. theta energy: -23.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -115.492196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.492196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.492196 (E_RNA)
where:
Base-Base interactions energy: -57.957
where: short stacking energy: -39.206
Base-Backbone interact. energy: -0.084
local terms energy: -57.451047
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -19.823
flat angles C4'-P-C4' energy: -14.449
flat angles P-C4'-P energy: -7.283
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: 7, replica: 6
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -106.315041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.315041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.315041 (E_RNA)
where:
Base-Base interactions energy: -46.586
where: short stacking energy: -36.318
Base-Backbone interact. energy: -0.071
local terms energy: -59.658543
where:
bonds (distance) C4'-P energy: -13.711
bonds (distance) P-C4' energy: -22.202
flat angles C4'-P-C4' energy: -14.584
flat angles P-C4'-P energy: -5.539
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: 8, replica: 8
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -94.345594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.345594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.345594 (E_RNA)
where:
Base-Base interactions energy: -34.979
where: short stacking energy: -29.372
Base-Backbone interact. energy: -0.141
local terms energy: -59.225681
where:
bonds (distance) C4'-P energy: -13.760
bonds (distance) P-C4' energy: -13.661
flat angles C4'-P-C4' energy: -12.329
flat angles P-C4'-P energy: -12.736
tors. eta vs tors. theta energy: -6.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 3
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -90.483717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.483717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.483717 (E_RNA)
where:
Base-Base interactions energy: -25.300
where: short stacking energy: -24.083
Base-Backbone interact. energy: -1.575
local terms energy: -63.608911
where:
bonds (distance) C4'-P energy: -19.772
bonds (distance) P-C4' energy: -16.221
flat angles C4'-P-C4' energy: -14.673
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -1.651
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: 10, replica: 4
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -83.475851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.475851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.475851 (E_RNA)
where:
Base-Base interactions energy: -22.763
where: short stacking energy: -15.291
Base-Backbone interact. energy: -0.109
local terms energy: -60.603092
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -16.504
flat angles C4'-P-C4' energy: -18.055
flat angles P-C4'-P energy: -10.466
tors. eta vs tors. theta energy: 0.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -294.192757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.192757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.192757 (E_RNA)
where:
Base-Base interactions energy: -195.199
where: short stacking energy: -80.587
Base-Backbone interact. energy: -0.001
local terms energy: -98.993139
where:
bonds (distance) C4'-P energy: -19.594
bonds (distance) P-C4' energy: -20.019
flat angles C4'-P-C4' energy: -20.708
flat angles P-C4'-P energy: -11.647
tors. eta vs tors. theta energy: -27.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -289.663153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.663153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.663153 (E_RNA)
where:
Base-Base interactions energy: -197.290
where: short stacking energy: -81.590
Base-Backbone interact. energy: -0.834
local terms energy: -91.538548
where:
bonds (distance) C4'-P energy: -12.328
bonds (distance) P-C4' energy: -17.920
flat angles C4'-P-C4' energy: -19.374
flat angles P-C4'-P energy: -17.809
tors. eta vs tors. theta energy: -24.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -287.342067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.342067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.342067 (E_RNA)
where:
Base-Base interactions energy: -188.894
where: short stacking energy: -68.634
Base-Backbone interact. energy: -0.850
local terms energy: -97.598076
where:
bonds (distance) C4'-P energy: -19.706
bonds (distance) P-C4' energy: -19.574
flat angles C4'-P-C4' energy: -17.661
flat angles P-C4'-P energy: -13.074
tors. eta vs tors. theta energy: -27.583
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: 10
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -270.202437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.202437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.202437 (E_RNA)
where:
Base-Base interactions energy: -178.837
where: short stacking energy: -70.443
Base-Backbone interact. energy: -0.376
local terms energy: -90.989367
where:
bonds (distance) C4'-P energy: -14.947
bonds (distance) P-C4' energy: -22.910
flat angles C4'-P-C4' energy: -20.831
flat angles P-C4'-P energy: -11.005
tors. eta vs tors. theta energy: -21.296
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: 9
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -272.914086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.914086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.914086 (E_RNA)
where:
Base-Base interactions energy: -180.643
where: short stacking energy: -72.540
Base-Backbone interact. energy: -1.522
local terms energy: -90.748849
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -17.021
flat angles C4'-P-C4' energy: -17.206
flat angles P-C4'-P energy: -14.751
tors. eta vs tors. theta energy: -26.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -109.338416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.338416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.338416 (E_RNA)
where:
Base-Base interactions energy: -45.669
where: short stacking energy: -44.821
Base-Backbone interact. energy: -0.222
local terms energy: -63.448087
where:
bonds (distance) C4'-P energy: -17.760
bonds (distance) P-C4' energy: -13.432
flat angles C4'-P-C4' energy: -12.990
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: -8.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -113.383126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.383126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.383126 (E_RNA)
where:
Base-Base interactions energy: -43.863
where: short stacking energy: -43.001
Base-Backbone interact. energy: -0.026
local terms energy: -69.494656
where:
bonds (distance) C4'-P energy: -13.629
bonds (distance) P-C4' energy: -19.865
flat angles C4'-P-C4' energy: -18.351
flat angles P-C4'-P energy: -10.417
tors. eta vs tors. theta energy: -7.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -114.744212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.744212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.744212 (E_RNA)
where:
Base-Base interactions energy: -51.295
where: short stacking energy: -35.336
Base-Backbone interact. energy: -1.215
local terms energy: -62.234069
where:
bonds (distance) C4'-P energy: -16.394
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -16.726
flat angles P-C4'-P energy: -6.801
tors. eta vs tors. theta energy: -5.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -99.922526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.922526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.922526 (E_RNA)
where:
Base-Base interactions energy: -34.259
where: short stacking energy: -34.259
Base-Backbone interact. energy: 0.081
local terms energy: -65.744569
where:
bonds (distance) C4'-P energy: -12.801
bonds (distance) P-C4' energy: -20.233
flat angles C4'-P-C4' energy: -17.765
flat angles P-C4'-P energy: -10.477
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: 3
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -80.862118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.862118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.862118 (E_RNA)
where:
Base-Base interactions energy: -34.600
where: short stacking energy: -31.178
Base-Backbone interact. energy: 1.124
local terms energy: -47.387032
where:
bonds (distance) C4'-P energy: -13.703
bonds (distance) P-C4' energy: -12.075
flat angles C4'-P-C4' energy: -10.660
flat angles P-C4'-P energy: -9.213
tors. eta vs tors. theta energy: -1.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -296.201184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.201184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.201184 (E_RNA)
where:
Base-Base interactions energy: -196.531
where: short stacking energy: -84.687
Base-Backbone interact. energy: -0.288
local terms energy: -99.382125
where:
bonds (distance) C4'-P energy: -18.476
bonds (distance) P-C4' energy: -19.344
flat angles C4'-P-C4' energy: -18.643
flat angles P-C4'-P energy: -16.771
tors. eta vs tors. theta energy: -26.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -286.633785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.633785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.633785 (E_RNA)
where:
Base-Base interactions energy: -197.154
where: short stacking energy: -71.770
Base-Backbone interact. energy: -0.204
local terms energy: -89.276223
where:
bonds (distance) C4'-P energy: -16.507
bonds (distance) P-C4' energy: -18.441
flat angles C4'-P-C4' energy: -19.726
flat angles P-C4'-P energy: -12.570
tors. eta vs tors. theta energy: -22.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -286.320557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.320557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.320557 (E_RNA)
where:
Base-Base interactions energy: -191.717
where: short stacking energy: -82.005
Base-Backbone interact. energy: -0.031
local terms energy: -94.572840
where:
bonds (distance) C4'-P energy: -19.370
bonds (distance) P-C4' energy: -19.026
flat angles C4'-P-C4' energy: -18.343
flat angles P-C4'-P energy: -10.887
tors. eta vs tors. theta energy: -26.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -285.222477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.222477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.222477 (E_RNA)
where:
Base-Base interactions energy: -188.653
where: short stacking energy: -78.906
Base-Backbone interact. energy: -1.242
local terms energy: -95.327441
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -19.468
flat angles C4'-P-C4' energy: -20.260
flat angles P-C4'-P energy: -13.653
tors. eta vs tors. theta energy: -26.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -279.547184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.547184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.547184 (E_RNA)
where:
Base-Base interactions energy: -189.015
where: short stacking energy: -76.993
Base-Backbone interact. energy: -0.778
local terms energy: -89.754260
where:
bonds (distance) C4'-P energy: -17.756
bonds (distance) P-C4' energy: -14.665
flat angles C4'-P-C4' energy: -16.122
flat angles P-C4'-P energy: -12.483
tors. eta vs tors. theta energy: -28.728
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: 8
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -109.115697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.115697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.115697 (E_RNA)
where:
Base-Base interactions energy: -44.490
where: short stacking energy: -40.046
Base-Backbone interact. energy: 0.626
local terms energy: -65.251504
where:
bonds (distance) C4'-P energy: -19.422
bonds (distance) P-C4' energy: -14.497
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -8.770
tors. eta vs tors. theta energy: -9.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -97.251578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.251578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.251578 (E_RNA)
where:
Base-Base interactions energy: -40.743
where: short stacking energy: -27.364
Base-Backbone interact. energy: -0.711
local terms energy: -55.797086
where:
bonds (distance) C4'-P energy: -12.713
bonds (distance) P-C4' energy: -20.501
flat angles C4'-P-C4' energy: -13.993
flat angles P-C4'-P energy: -10.047
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: 8, replica: 4
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -101.394936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.394936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.394936 (E_RNA)
where:
Base-Base interactions energy: -34.687
where: short stacking energy: -33.962
Base-Backbone interact. energy: -0.145
local terms energy: -66.563264
where:
bonds (distance) C4'-P energy: -18.992
bonds (distance) P-C4' energy: -19.278
flat angles C4'-P-C4' energy: -18.712
flat angles P-C4'-P energy: -7.297
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: 9, replica: 6
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -93.871181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.871181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.871181 (E_RNA)
where:
Base-Base interactions energy: -44.986
where: short stacking energy: -24.913
Base-Backbone interact. energy: 0.968
local terms energy: -49.853047
where:
bonds (distance) C4'-P energy: -14.610
bonds (distance) P-C4' energy: -15.341
flat angles C4'-P-C4' energy: -12.334
flat angles P-C4'-P energy: -10.294
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: 10, replica: 3
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -88.541670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.541670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.541670 (E_RNA)
where:
Base-Base interactions energy: -43.825
where: short stacking energy: -21.835
Base-Backbone interact. energy: -2.643
local terms energy: -42.073356
where:
bonds (distance) C4'-P energy: -14.642
bonds (distance) P-C4' energy: -20.202
flat angles C4'-P-C4' energy: -9.758
flat angles P-C4'-P energy: 0.964
tors. eta vs tors. theta energy: 1.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -293.928503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.928503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.928503 (E_RNA)
where:
Base-Base interactions energy: -202.074
where: short stacking energy: -72.902
Base-Backbone interact. energy: -0.174
local terms energy: -91.680825
where:
bonds (distance) C4'-P energy: -21.435
bonds (distance) P-C4' energy: -19.180
flat angles C4'-P-C4' energy: -16.506
flat angles P-C4'-P energy: -12.890
tors. eta vs tors. theta energy: -21.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -290.417020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.417020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.417020 (E_RNA)
where:
Base-Base interactions energy: -197.391
where: short stacking energy: -80.495
Base-Backbone interact. energy: -0.090
local terms energy: -92.936090
where:
bonds (distance) C4'-P energy: -17.870
bonds (distance) P-C4' energy: -18.054
flat angles C4'-P-C4' energy: -17.192
flat angles P-C4'-P energy: -15.111
tors. eta vs tors. theta energy: -24.708
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: 1
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -278.524055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.524055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.524055 (E_RNA)
where:
Base-Base interactions energy: -188.748
where: short stacking energy: -78.122
Base-Backbone interact. energy: -0.833
local terms energy: -88.943739
where:
bonds (distance) C4'-P energy: -18.142
bonds (distance) P-C4' energy: -19.041
flat angles C4'-P-C4' energy: -17.517
flat angles P-C4'-P energy: -8.144
tors. eta vs tors. theta energy: -26.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -281.106541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.106541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.106541 (E_RNA)
where:
Base-Base interactions energy: -183.723
where: short stacking energy: -78.451
Base-Backbone interact. energy: -0.003
local terms energy: -97.379926
where:
bonds (distance) C4'-P energy: -20.956
bonds (distance) P-C4' energy: -19.388
flat angles C4'-P-C4' energy: -20.265
flat angles P-C4'-P energy: -11.008
tors. eta vs tors. theta energy: -25.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -279.943315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.943315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.943315 (E_RNA)
where:
Base-Base interactions energy: -191.781
where: short stacking energy: -75.574
Base-Backbone interact. energy: -0.335
local terms energy: -87.827079
where:
bonds (distance) C4'-P energy: -16.100
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -15.511
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -28.251
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: 8
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -112.060432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.060432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.060432 (E_RNA)
where:
Base-Base interactions energy: -42.006
where: short stacking energy: -41.808
Base-Backbone interact. energy: -0.231
local terms energy: -69.823628
where:
bonds (distance) C4'-P energy: -19.297
bonds (distance) P-C4' energy: -19.729
flat angles C4'-P-C4' energy: -13.903
flat angles P-C4'-P energy: -10.155
tors. eta vs tors. theta energy: -6.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -137.487705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.487705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.487705 (E_RNA)
where:
Base-Base interactions energy: -70.673
where: short stacking energy: -33.932
Base-Backbone interact. energy: 0.988
local terms energy: -67.802123
where:
bonds (distance) C4'-P energy: -17.586
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -16.039
flat angles P-C4'-P energy: -13.375
tors. eta vs tors. theta energy: -4.922
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: 4
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -107.403914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.403914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.403914 (E_RNA)
where:
Base-Base interactions energy: -43.896
where: short stacking energy: -43.896
Base-Backbone interact. energy: -0.040
local terms energy: -63.468388
where:
bonds (distance) C4'-P energy: -12.375
bonds (distance) P-C4' energy: -17.359
flat angles C4'-P-C4' energy: -17.030
flat angles P-C4'-P energy: -11.295
tors. eta vs tors. theta energy: -5.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -95.287872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.287872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.287872 (E_RNA)
where:
Base-Base interactions energy: -42.220
where: short stacking energy: -24.590
Base-Backbone interact. energy: -0.588
local terms energy: -52.480361
where:
bonds (distance) C4'-P energy: -19.731
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -14.697
flat angles P-C4'-P energy: -10.227
tors. eta vs tors. theta energy: 5.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -91.750479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.750479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.750479 (E_RNA)
where:
Base-Base interactions energy: -28.631
where: short stacking energy: -26.821
Base-Backbone interact. energy: -1.243
local terms energy: -61.877130
where:
bonds (distance) C4'-P energy: -17.913
bonds (distance) P-C4' energy: -18.350
flat angles C4'-P-C4' energy: -15.259
flat angles P-C4'-P energy: -9.589
tors. eta vs tors. theta energy: -0.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -296.250368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.250368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.250368 (E_RNA)
where:
Base-Base interactions energy: -204.576
where: short stacking energy: -78.377
Base-Backbone interact. energy: 0.382
local terms energy: -92.056683
where:
bonds (distance) C4'-P energy: -19.826
bonds (distance) P-C4' energy: -16.376
flat angles C4'-P-C4' energy: -19.299
flat angles P-C4'-P energy: -12.618
tors. eta vs tors. theta energy: -23.938
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: 55
Temperature: 0.950000
Total energy: -291.842896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.842896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.842896 (E_RNA)
where:
Base-Base interactions energy: -189.239
where: short stacking energy: -81.606
Base-Backbone interact. energy: -0.765
local terms energy: -101.838641
where:
bonds (distance) C4'-P energy: -20.021
bonds (distance) P-C4' energy: -21.067
flat angles C4'-P-C4' energy: -19.240
flat angles P-C4'-P energy: -13.952
tors. eta vs tors. theta energy: -27.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -290.997772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.997772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.997772 (E_RNA)
where:
Base-Base interactions energy: -197.809
where: short stacking energy: -82.905
Base-Backbone interact. energy: -2.519
local terms energy: -90.669848
where:
bonds (distance) C4'-P energy: -12.507
bonds (distance) P-C4' energy: -18.513
flat angles C4'-P-C4' energy: -20.776
flat angles P-C4'-P energy: -13.152
tors. eta vs tors. theta energy: -25.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -276.643371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.643371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.643371 (E_RNA)
where:
Base-Base interactions energy: -198.701
where: short stacking energy: -75.897
Base-Backbone interact. energy: -0.404
local terms energy: -77.538222
where:
bonds (distance) C4'-P energy: -16.758
bonds (distance) P-C4' energy: -12.434
flat angles C4'-P-C4' energy: -16.749
flat angles P-C4'-P energy: -7.958
tors. eta vs tors. theta energy: -23.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -270.871749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.871749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.871749 (E_RNA)
where:
Base-Base interactions energy: -186.947
where: short stacking energy: -68.772
Base-Backbone interact. energy: -0.273
local terms energy: -83.651829
where:
bonds (distance) C4'-P energy: -13.443
bonds (distance) P-C4' energy: -18.911
flat angles C4'-P-C4' energy: -14.598
flat angles P-C4'-P energy: -11.151
tors. eta vs tors. theta energy: -25.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -148.575343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.575343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.575343 (E_RNA)
where:
Base-Base interactions energy: -74.687
where: short stacking energy: -46.363
Base-Backbone interact. energy: -0.096
local terms energy: -73.792425
where:
bonds (distance) C4'-P energy: -11.297
bonds (distance) P-C4' energy: -19.952
flat angles C4'-P-C4' energy: -17.544
flat angles P-C4'-P energy: -11.219
tors. eta vs tors. theta energy: -13.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -105.585674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.585674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.585674 (E_RNA)
where:
Base-Base interactions energy: -42.132
where: short stacking energy: -34.739
Base-Backbone interact. energy: -1.258
local terms energy: -62.195253
where:
bonds (distance) C4'-P energy: -12.441
bonds (distance) P-C4' energy: -20.842
flat angles C4'-P-C4' energy: -17.659
flat angles P-C4'-P energy: -10.946
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: 8, replica: 6
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -104.170726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.170726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.170726 (E_RNA)
where:
Base-Base interactions energy: -43.917
where: short stacking energy: -43.811
Base-Backbone interact. energy: -0.215
local terms energy: -60.038295
where:
bonds (distance) C4'-P energy: -12.191
bonds (distance) P-C4' energy: -16.349
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -8.005
tors. eta vs tors. theta energy: -8.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -92.092225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.092225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.092225 (E_RNA)
where:
Base-Base interactions energy: -30.076
where: short stacking energy: -23.904
Base-Backbone interact. energy: -0.918
local terms energy: -61.097882
where:
bonds (distance) C4'-P energy: -13.877
bonds (distance) P-C4' energy: -17.546
flat angles C4'-P-C4' energy: -14.297
flat angles P-C4'-P energy: -13.314
tors. eta vs tors. theta energy: -2.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 3
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -99.975745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.975745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.975745 (E_RNA)
where:
Base-Base interactions energy: -50.730
where: short stacking energy: -20.830
Base-Backbone interact. energy: -1.075
local terms energy: -48.170268
where:
bonds (distance) C4'-P energy: -11.460
bonds (distance) P-C4' energy: -14.887
flat angles C4'-P-C4' energy: -17.599
flat angles P-C4'-P energy: -8.004
tors. eta vs tors. theta energy: 3.780
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: 1, replica: 1
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -294.008039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.008039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.008039 (E_RNA)
where:
Base-Base interactions energy: -190.159
where: short stacking energy: -82.689
Base-Backbone interact. energy: -0.013
local terms energy: -103.835922
where:
bonds (distance) C4'-P energy: -20.485
bonds (distance) P-C4' energy: -19.756
flat angles C4'-P-C4' energy: -20.121
flat angles P-C4'-P energy: -15.853
tors. eta vs tors. theta energy: -27.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -302.071951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.071951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.071951 (E_RNA)
where:
Base-Base interactions energy: -211.743
where: short stacking energy: -75.583
Base-Backbone interact. energy: -0.738
local terms energy: -89.591601
where:
bonds (distance) C4'-P energy: -16.822
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -18.836
flat angles P-C4'-P energy: -14.821
tors. eta vs tors. theta energy: -21.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -283.907094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.907094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.907094 (E_RNA)
where:
Base-Base interactions energy: -195.560
where: short stacking energy: -84.042
Base-Backbone interact. energy: -0.322
local terms energy: -88.025099
where:
bonds (distance) C4'-P energy: -14.299
bonds (distance) P-C4' energy: -17.158
flat angles C4'-P-C4' energy: -16.959
flat angles P-C4'-P energy: -15.118
tors. eta vs tors. theta energy: -24.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -280.389778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.389778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.389778 (E_RNA)
where:
Base-Base interactions energy: -195.066
where: short stacking energy: -79.457
Base-Backbone interact. energy: -0.933
local terms energy: -84.390786
where:
bonds (distance) C4'-P energy: -13.954
bonds (distance) P-C4' energy: -16.222
flat angles C4'-P-C4' energy: -14.228
flat angles P-C4'-P energy: -13.789
tors. eta vs tors. theta energy: -26.198
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: 10
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -278.293031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.293031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.293031 (E_RNA)
where:
Base-Base interactions energy: -191.696
where: short stacking energy: -77.469
Base-Backbone interact. energy: -0.308
local terms energy: -86.289490
where:
bonds (distance) C4'-P energy: -15.098
bonds (distance) P-C4' energy: -17.250
flat angles C4'-P-C4' energy: -19.962
flat angles P-C4'-P energy: -11.194
tors. eta vs tors. theta energy: -22.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -177.541329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.541329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.541329 (E_RNA)
where:
Base-Base interactions energy: -107.362
where: short stacking energy: -56.031
Base-Backbone interact. energy: -0.152
local terms energy: -70.026835
where:
bonds (distance) C4'-P energy: -9.250
bonds (distance) P-C4' energy: -21.148
flat angles C4'-P-C4' energy: -14.649
flat angles P-C4'-P energy: -13.167
tors. eta vs tors. theta energy: -11.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -128.940373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.940373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.940373 (E_RNA)
where:
Base-Base interactions energy: -57.560
where: short stacking energy: -58.250
Base-Backbone interact. energy: -0.017
local terms energy: -71.363302
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -15.372
flat angles C4'-P-C4' energy: -13.274
flat angles P-C4'-P energy: -11.446
tors. eta vs tors. theta energy: -16.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -100.214014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.214014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.214014 (E_RNA)
where:
Base-Base interactions energy: -45.211
where: short stacking energy: -29.768
Base-Backbone interact. energy: -0.233
local terms energy: -54.770095
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -16.766
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -5.217
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: 9, replica: 3
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -90.133719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.133719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.133719 (E_RNA)
where:
Base-Base interactions energy: -32.010
where: short stacking energy: -30.138
Base-Backbone interact. energy: -0.254
local terms energy: -57.869491
where:
bonds (distance) C4'-P energy: -19.292
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -15.887
flat angles P-C4'-P energy: -9.250
tors. eta vs tors. theta energy: -0.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -86.106158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.106158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.106158 (E_RNA)
where:
Base-Base interactions energy: -32.122
where: short stacking energy: -30.110
Base-Backbone interact. energy: -0.319
local terms energy: -53.665731
where:
bonds (distance) C4'-P energy: -10.624
bonds (distance) P-C4' energy: -19.402
flat angles C4'-P-C4' energy: -14.093
flat angles P-C4'-P energy: -7.790
tors. eta vs tors. theta energy: -1.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -290.300114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.300114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.300114 (E_RNA)
where:
Base-Base interactions energy: -204.219
where: short stacking energy: -84.814
Base-Backbone interact. energy: -1.523
local terms energy: -84.558803
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -19.247
flat angles P-C4'-P energy: -11.035
tors. eta vs tors. theta energy: -21.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -290.377444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.377444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.377444 (E_RNA)
where:
Base-Base interactions energy: -198.820
where: short stacking energy: -86.464
Base-Backbone interact. energy: -0.741
local terms energy: -90.816606
where:
bonds (distance) C4'-P energy: -19.975
bonds (distance) P-C4' energy: -16.943
flat angles C4'-P-C4' energy: -17.091
flat angles P-C4'-P energy: -9.217
tors. eta vs tors. theta energy: -27.591
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: 7
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -283.911541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.911541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.911541 (E_RNA)
where:
Base-Base interactions energy: -194.254
where: short stacking energy: -82.385
Base-Backbone interact. energy: -0.000
local terms energy: -89.656593
where:
bonds (distance) C4'-P energy: -17.288
bonds (distance) P-C4' energy: -18.663
flat angles C4'-P-C4' energy: -16.624
flat angles P-C4'-P energy: -12.446
tors. eta vs tors. theta energy: -24.635
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: 57
Temperature: 1.050000
Total energy: -282.819707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.819707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.819707 (E_RNA)
where:
Base-Base interactions energy: -190.848
where: short stacking energy: -79.743
Base-Backbone interact. energy: -0.275
local terms energy: -91.696063
where:
bonds (distance) C4'-P energy: -16.295
bonds (distance) P-C4' energy: -18.655
flat angles C4'-P-C4' energy: -20.016
flat angles P-C4'-P energy: -10.759
tors. eta vs tors. theta energy: -25.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -276.690613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.690613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.690613 (E_RNA)
where:
Base-Base interactions energy: -182.381
where: short stacking energy: -74.966
Base-Backbone interact. energy: -0.006
local terms energy: -94.303588
where:
bonds (distance) C4'-P energy: -14.620
bonds (distance) P-C4' energy: -19.855
flat angles C4'-P-C4' energy: -20.782
flat angles P-C4'-P energy: -15.016
tors. eta vs tors. theta energy: -24.032
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: 2
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -162.896509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.896509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.896509 (E_RNA)
where:
Base-Base interactions energy: -86.441
where: short stacking energy: -46.497
Base-Backbone interact. energy: -0.292
local terms energy: -76.163627
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -20.769
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -14.391
tors. eta vs tors. theta energy: -9.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -110.833556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.833556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.833556 (E_RNA)
where:
Base-Base interactions energy: -47.808
where: short stacking energy: -28.950
Base-Backbone interact. energy: -0.766
local terms energy: -62.259159
where:
bonds (distance) C4'-P energy: -12.687
bonds (distance) P-C4' energy: -20.373
flat angles C4'-P-C4' energy: -16.570
flat angles P-C4'-P energy: -5.632
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: 8, replica: 3
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -104.918209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.918209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.918209 (E_RNA)
where:
Base-Base interactions energy: -43.324
where: short stacking energy: -43.324
Base-Backbone interact. energy: -0.266
local terms energy: -61.328073
where:
bonds (distance) C4'-P energy: -5.022
bonds (distance) P-C4' energy: -18.148
flat angles C4'-P-C4' energy: -16.982
flat angles P-C4'-P energy: -12.624
tors. eta vs tors. theta energy: -8.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -109.582484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.582484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.582484 (E_RNA)
where:
Base-Base interactions energy: -38.179
where: short stacking energy: -20.443
Base-Backbone interact. energy: -0.485
local terms energy: -70.917787
where:
bonds (distance) C4'-P energy: -20.369
bonds (distance) P-C4' energy: -19.158
flat angles C4'-P-C4' energy: -14.678
flat angles P-C4'-P energy: -12.581
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: 10, replica: 4
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -85.454144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.454144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.454144 (E_RNA)
where:
Base-Base interactions energy: -28.158
where: short stacking energy: -21.576
Base-Backbone interact. energy: -0.791
local terms energy: -56.505618
where:
bonds (distance) C4'-P energy: -18.795
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -14.125
flat angles P-C4'-P energy: -6.030
tors. eta vs tors. theta energy: -0.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -290.602013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.602013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.602013 (E_RNA)
where:
Base-Base interactions energy: -196.788
where: short stacking energy: -78.354
Base-Backbone interact. energy: -0.992
local terms energy: -92.821620
where:
bonds (distance) C4'-P energy: -19.847
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -20.066
flat angles P-C4'-P energy: -15.414
tors. eta vs tors. theta energy: -20.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -282.249187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.249187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.249187 (E_RNA)
where:
Base-Base interactions energy: -185.798
where: short stacking energy: -74.635
Base-Backbone interact. energy: -0.618
local terms energy: -95.833245
where:
bonds (distance) C4'-P energy: -20.843
bonds (distance) P-C4' energy: -19.915
flat angles C4'-P-C4' energy: -17.948
flat angles P-C4'-P energy: -15.828
tors. eta vs tors. theta energy: -21.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -284.573060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.573060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.573060 (E_RNA)
where:
Base-Base interactions energy: -185.806
where: short stacking energy: -74.584
Base-Backbone interact. energy: -0.007
local terms energy: -98.760112
where:
bonds (distance) C4'-P energy: -20.698
bonds (distance) P-C4' energy: -18.199
flat angles C4'-P-C4' energy: -19.803
flat angles P-C4'-P energy: -15.482
tors. eta vs tors. theta energy: -24.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -278.670116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.670116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.670116 (E_RNA)
where:
Base-Base interactions energy: -191.511
where: short stacking energy: -75.290
Base-Backbone interact. energy: -2.005
local terms energy: -85.154236
where:
bonds (distance) C4'-P energy: -17.590
bonds (distance) P-C4' energy: -17.906
flat angles C4'-P-C4' energy: -14.818
flat angles P-C4'-P energy: -11.963
tors. eta vs tors. theta energy: -22.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -272.531224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.531224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.531224 (E_RNA)
where:
Base-Base interactions energy: -180.778
where: short stacking energy: -80.523
Base-Backbone interact. energy: -0.018
local terms energy: -91.735277
where:
bonds (distance) C4'-P energy: -16.179
bonds (distance) P-C4' energy: -19.379
flat angles C4'-P-C4' energy: -18.677
flat angles P-C4'-P energy: -11.170
tors. eta vs tors. theta energy: -26.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -120.773614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.773614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.773614 (E_RNA)
where:
Base-Base interactions energy: -60.190
where: short stacking energy: -30.690
Base-Backbone interact. energy: -0.353
local terms energy: -60.230678
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -15.619
flat angles C4'-P-C4' energy: -18.756
flat angles P-C4'-P energy: -13.005
tors. eta vs tors. theta energy: -0.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -105.377103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.377103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.377103 (E_RNA)
where:
Base-Base interactions energy: -34.694
where: short stacking energy: -30.033
Base-Backbone interact. energy: -0.339
local terms energy: -70.344165
where:
bonds (distance) C4'-P energy: -19.955
bonds (distance) P-C4' energy: -19.700
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -8.858
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: 8, replica: 6
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -93.292234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.292234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.292234 (E_RNA)
where:
Base-Base interactions energy: -33.280
where: short stacking energy: -31.752
Base-Backbone interact. energy: -0.007
local terms energy: -60.005575
where:
bonds (distance) C4'-P energy: -16.918
bonds (distance) P-C4' energy: -17.404
flat angles C4'-P-C4' energy: -14.019
flat angles P-C4'-P energy: -4.038
tors. eta vs tors. theta energy: -7.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -96.518893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.518893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.518893 (E_RNA)
where:
Base-Base interactions energy: -38.584
where: short stacking energy: -26.627
Base-Backbone interact. energy: 0.045
local terms energy: -57.980296
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -20.877
flat angles C4'-P-C4' energy: -15.448
flat angles P-C4'-P energy: -2.014
tors. eta vs tors. theta energy: -5.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -80.377350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.377350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.377350 (E_RNA)
where:
Base-Base interactions energy: -22.759
where: short stacking energy: -22.680
Base-Backbone interact. energy: -0.107
local terms energy: -57.510520
where:
bonds (distance) C4'-P energy: -17.677
bonds (distance) P-C4' energy: -16.752
flat angles C4'-P-C4' energy: -19.884
flat angles P-C4'-P energy: -5.192
tors. eta vs tors. theta energy: 1.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -292.911847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.911847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.911847 (E_RNA)
where:
Base-Base interactions energy: -207.177
where: short stacking energy: -76.686
Base-Backbone interact. energy: -0.357
local terms energy: -85.377516
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -19.664
flat angles C4'-P-C4' energy: -18.489
flat angles P-C4'-P energy: -13.654
tors. eta vs tors. theta energy: -18.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -289.793009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.793009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.793009 (E_RNA)
where:
Base-Base interactions energy: -192.410
where: short stacking energy: -72.819
Base-Backbone interact. energy: -0.030
local terms energy: -97.353781
where:
bonds (distance) C4'-P energy: -17.720
bonds (distance) P-C4' energy: -20.341
flat angles C4'-P-C4' energy: -20.784
flat angles P-C4'-P energy: -12.914
tors. eta vs tors. theta energy: -25.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -289.141584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.141584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.141584 (E_RNA)
where:
Base-Base interactions energy: -193.887
where: short stacking energy: -80.480
Base-Backbone interact. energy: -0.738
local terms energy: -94.516306
where:
bonds (distance) C4'-P energy: -19.793
bonds (distance) P-C4' energy: -15.962
flat angles C4'-P-C4' energy: -19.013
flat angles P-C4'-P energy: -13.055
tors. eta vs tors. theta energy: -26.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -274.832351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.832351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.832351 (E_RNA)
where:
Base-Base interactions energy: -198.197
where: short stacking energy: -79.316
Base-Backbone interact. energy: 0.288
local terms energy: -76.923244
where:
bonds (distance) C4'-P energy: -14.647
bonds (distance) P-C4' energy: -12.540
flat angles C4'-P-C4' energy: -13.167
flat angles P-C4'-P energy: -14.518
tors. eta vs tors. theta energy: -22.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -277.498344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.498344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.498344 (E_RNA)
where:
Base-Base interactions energy: -190.646
where: short stacking energy: -74.404
Base-Backbone interact. energy: -0.036
local terms energy: -86.816865
where:
bonds (distance) C4'-P energy: -15.747
bonds (distance) P-C4' energy: -16.845
flat angles C4'-P-C4' energy: -16.923
flat angles P-C4'-P energy: -13.038
tors. eta vs tors. theta energy: -24.263
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: 59
Temperature: 1.150000
Total energy: -174.277098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.277098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.277098 (E_RNA)
where:
Base-Base interactions energy: -104.205
where: short stacking energy: -51.396
Base-Backbone interact. energy: 0.384
local terms energy: -70.456383
where:
bonds (distance) C4'-P energy: -18.158
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -16.442
flat angles P-C4'-P energy: -10.736
tors. eta vs tors. theta energy: -10.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -89.955695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.955695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.955695 (E_RNA)
where:
Base-Base interactions energy: -27.897
where: short stacking energy: -26.613
Base-Backbone interact. energy: -0.218
local terms energy: -61.840626
where:
bonds (distance) C4'-P energy: -19.711
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -8.233
tors. eta vs tors. theta energy: -2.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -105.147277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.147277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.147277 (E_RNA)
where:
Base-Base interactions energy: -47.116
where: short stacking energy: -29.585
Base-Backbone interact. energy: -0.555
local terms energy: -57.476903
where:
bonds (distance) C4'-P energy: -14.928
bonds (distance) P-C4' energy: -22.377
flat angles C4'-P-C4' energy: -12.783
flat angles P-C4'-P energy: -4.607
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: 9, replica: 6
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -89.130762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.130762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.130762 (E_RNA)
where:
Base-Base interactions energy: -36.853
where: short stacking energy: -23.296
Base-Backbone interact. energy: -0.702
local terms energy: -51.576126
where:
bonds (distance) C4'-P energy: -12.747
bonds (distance) P-C4' energy: -16.961
flat angles C4'-P-C4' energy: -16.777
flat angles P-C4'-P energy: -5.285
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: 10, replica: 8
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -81.437974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.437974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.437974 (E_RNA)
where:
Base-Base interactions energy: -19.985
where: short stacking energy: -13.239
Base-Backbone interact. energy: 0.008
local terms energy: -61.460763
where:
bonds (distance) C4'-P energy: -16.730
bonds (distance) P-C4' energy: -17.302
flat angles C4'-P-C4' energy: -17.792
flat angles P-C4'-P energy: -7.273
tors. eta vs tors. theta energy: -2.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -294.874739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.874739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.874739 (E_RNA)
where:
Base-Base interactions energy: -200.912
where: short stacking energy: -77.090
Base-Backbone interact. energy: 0.480
local terms energy: -94.442928
where:
bonds (distance) C4'-P energy: -15.612
bonds (distance) P-C4' energy: -21.592
flat angles C4'-P-C4' energy: -19.482
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -25.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -281.166048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.166048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.166048 (E_RNA)
where:
Base-Base interactions energy: -195.418
where: short stacking energy: -69.053
Base-Backbone interact. energy: -0.342
local terms energy: -85.405649
where:
bonds (distance) C4'-P energy: -19.268
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -13.700
flat angles P-C4'-P energy: -12.843
tors. eta vs tors. theta energy: -23.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -284.163783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.163783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.163783 (E_RNA)
where:
Base-Base interactions energy: -195.935
where: short stacking energy: -72.956
Base-Backbone interact. energy: -1.369
local terms energy: -86.858952
where:
bonds (distance) C4'-P energy: -14.027
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -18.597
flat angles P-C4'-P energy: -13.073
tors. eta vs tors. theta energy: -22.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -284.424849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.424849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.424849 (E_RNA)
where:
Base-Base interactions energy: -195.451
where: short stacking energy: -80.574
Base-Backbone interact. energy: -0.450
local terms energy: -88.524044
where:
bonds (distance) C4'-P energy: -13.629
bonds (distance) P-C4' energy: -14.704
flat angles C4'-P-C4' energy: -21.838
flat angles P-C4'-P energy: -11.391
tors. eta vs tors. theta energy: -26.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -263.159265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.159265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.159265 (E_RNA)
where:
Base-Base interactions energy: -174.262
where: short stacking energy: -75.656
Base-Backbone interact. energy: 1.161
local terms energy: -90.058691
where:
bonds (distance) C4'-P energy: -15.649
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -18.822
flat angles P-C4'-P energy: -12.321
tors. eta vs tors. theta energy: -26.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -198.117850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.117850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.117850 (E_RNA)
where:
Base-Base interactions energy: -116.936
where: short stacking energy: -57.246
Base-Backbone interact. energy: -0.360
local terms energy: -80.821868
where:
bonds (distance) C4'-P energy: -20.812
bonds (distance) P-C4' energy: -15.781
flat angles C4'-P-C4' energy: -15.220
flat angles P-C4'-P energy: -11.884
tors. eta vs tors. theta energy: -17.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -169.668178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.668178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.668178 (E_RNA)
where:
Base-Base interactions energy: -99.510
where: short stacking energy: -49.510
Base-Backbone interact. energy: -0.189
local terms energy: -69.968371
where:
bonds (distance) C4'-P energy: -15.702
bonds (distance) P-C4' energy: -18.873
flat angles C4'-P-C4' energy: -18.587
flat angles P-C4'-P energy: -8.962
tors. eta vs tors. theta energy: -7.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -98.877507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.877507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.877507 (E_RNA)
where:
Base-Base interactions energy: -34.768
where: short stacking energy: -29.676
Base-Backbone interact. energy: -0.205
local terms energy: -63.904236
where:
bonds (distance) C4'-P energy: -18.516
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -13.132
flat angles P-C4'-P energy: -12.705
tors. eta vs tors. theta energy: -3.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -102.871920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.871920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.871920 (E_RNA)
where:
Base-Base interactions energy: -36.860
where: short stacking energy: -32.693
Base-Backbone interact. energy: -0.167
local terms energy: -65.845083
where:
bonds (distance) C4'-P energy: -17.611
bonds (distance) P-C4' energy: -20.531
flat angles C4'-P-C4' energy: -19.377
flat angles P-C4'-P energy: -6.718
tors. eta vs tors. theta energy: -1.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -87.906932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.906932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.906932 (E_RNA)
where:
Base-Base interactions energy: -39.361
where: short stacking energy: -35.680
Base-Backbone interact. energy: 0.604
local terms energy: -49.149833
where:
bonds (distance) C4'-P energy: -7.993
bonds (distance) P-C4' energy: -13.055
flat angles C4'-P-C4' energy: -10.027
flat angles P-C4'-P energy: -15.282
tors. eta vs tors. theta energy: -2.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -290.319160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.319160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.319160 (E_RNA)
where:
Base-Base interactions energy: -202.932
where: short stacking energy: -84.533
Base-Backbone interact. energy: -1.919
local terms energy: -85.468699
where:
bonds (distance) C4'-P energy: -13.331
bonds (distance) P-C4' energy: -14.065
flat angles C4'-P-C4' energy: -17.807
flat angles P-C4'-P energy: -14.219
tors. eta vs tors. theta energy: -26.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -287.692329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.692329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.692329 (E_RNA)
where:
Base-Base interactions energy: -199.272
where: short stacking energy: -76.855
Base-Backbone interact. energy: -0.779
local terms energy: -87.641595
where:
bonds (distance) C4'-P energy: -16.035
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -17.951
flat angles P-C4'-P energy: -11.946
tors. eta vs tors. theta energy: -23.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -276.900634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.900634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.900634 (E_RNA)
where:
Base-Base interactions energy: -185.795
where: short stacking energy: -79.540
Base-Backbone interact. energy: -0.767
local terms energy: -90.338224
where:
bonds (distance) C4'-P energy: -15.214
bonds (distance) P-C4' energy: -19.548
flat angles C4'-P-C4' energy: -22.099
flat angles P-C4'-P energy: -13.097
tors. eta vs tors. theta energy: -20.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -279.213472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.213472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.213472 (E_RNA)
where:
Base-Base interactions energy: -190.274
where: short stacking energy: -78.481
Base-Backbone interact. energy: -0.298
local terms energy: -88.641261
where:
bonds (distance) C4'-P energy: -15.409
bonds (distance) P-C4' energy: -21.328
flat angles C4'-P-C4' energy: -14.729
flat angles P-C4'-P energy: -14.494
tors. eta vs tors. theta energy: -22.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -265.369383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.369383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.369383 (E_RNA)
where:
Base-Base interactions energy: -179.946
where: short stacking energy: -69.268
Base-Backbone interact. energy: -0.382
local terms energy: -85.042026
where:
bonds (distance) C4'-P energy: -17.137
bonds (distance) P-C4' energy: -12.741
flat angles C4'-P-C4' energy: -18.092
flat angles P-C4'-P energy: -12.384
tors. eta vs tors. theta energy: -24.688
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: 61
Temperature: 1.150000
Total energy: -199.903724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.903724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.903724 (E_RNA)
where:
Base-Base interactions energy: -129.138
where: short stacking energy: -50.425
Base-Backbone interact. energy: -0.186
local terms energy: -70.579892
where:
bonds (distance) C4'-P energy: -11.036
bonds (distance) P-C4' energy: -14.136
flat angles C4'-P-C4' energy: -20.281
flat angles P-C4'-P energy: -10.228
tors. eta vs tors. theta energy: -14.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -147.202779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.202779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.202779 (E_RNA)
where:
Base-Base interactions energy: -78.280
where: short stacking energy: -40.560
Base-Backbone interact. energy: -0.002
local terms energy: -68.920794
where:
bonds (distance) C4'-P energy: -19.334
bonds (distance) P-C4' energy: -18.305
flat angles C4'-P-C4' energy: -17.158
flat angles P-C4'-P energy: -6.974
tors. eta vs tors. theta energy: -7.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -110.945168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.945168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.945168 (E_RNA)
where:
Base-Base interactions energy: -44.959
where: short stacking energy: -44.959
Base-Backbone interact. energy: -0.060
local terms energy: -65.926267
where:
bonds (distance) C4'-P energy: -18.559
bonds (distance) P-C4' energy: -12.833
flat angles C4'-P-C4' energy: -16.485
flat angles P-C4'-P energy: -7.674
tors. eta vs tors. theta energy: -10.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 61
Temperature: 1.300000
Total energy: -102.946811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.946811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.946811 (E_RNA)
where:
Base-Base interactions energy: -38.553
where: short stacking energy: -33.453
Base-Backbone interact. energy: -1.867
local terms energy: -62.527504
where:
bonds (distance) C4'-P energy: -18.742
bonds (distance) P-C4' energy: -14.630
flat angles C4'-P-C4' energy: -12.816
flat angles P-C4'-P energy: -11.657
tors. eta vs tors. theta energy: -4.684
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: 6
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -92.029254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.029254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.029254 (E_RNA)
where:
Base-Base interactions energy: -37.763
where: short stacking energy: -24.994
Base-Backbone interact. energy: -0.079
local terms energy: -54.187355
where:
bonds (distance) C4'-P energy: -19.651
bonds (distance) P-C4' energy: -15.435
flat angles C4'-P-C4' energy: -11.679
flat angles P-C4'-P energy: -10.060
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: 1, replica: 9
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -286.182347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.182347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.182347 (E_RNA)
where:
Base-Base interactions energy: -195.795
where: short stacking energy: -72.823
Base-Backbone interact. energy: -0.147
local terms energy: -90.239692
where:
bonds (distance) C4'-P energy: -18.585
bonds (distance) P-C4' energy: -16.538
flat angles C4'-P-C4' energy: -16.745
flat angles P-C4'-P energy: -15.076
tors. eta vs tors. theta energy: -23.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -296.590625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.590625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.590625 (E_RNA)
where:
Base-Base interactions energy: -205.079
where: short stacking energy: -86.630
Base-Backbone interact. energy: -0.592
local terms energy: -90.920036
where:
bonds (distance) C4'-P energy: -17.329
bonds (distance) P-C4' energy: -17.293
flat angles C4'-P-C4' energy: -14.581
flat angles P-C4'-P energy: -16.143
tors. eta vs tors. theta energy: -25.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -275.742173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.742173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.742173 (E_RNA)
where:
Base-Base interactions energy: -194.585
where: short stacking energy: -79.309
Base-Backbone interact. energy: -0.260
local terms energy: -80.897628
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -15.404
flat angles C4'-P-C4' energy: -17.992
flat angles P-C4'-P energy: -13.543
tors. eta vs tors. theta energy: -19.430
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: 1
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -261.297731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.297731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.297731 (E_RNA)
where:
Base-Base interactions energy: -171.286
where: short stacking energy: -77.041
Base-Backbone interact. energy: -0.405
local terms energy: -89.606818
where:
bonds (distance) C4'-P energy: -16.167
bonds (distance) P-C4' energy: -17.505
flat angles C4'-P-C4' energy: -21.756
flat angles P-C4'-P energy: -11.283
tors. eta vs tors. theta energy: -22.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -274.598831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.598831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.598831 (E_RNA)
where:
Base-Base interactions energy: -183.950
where: short stacking energy: -71.354
Base-Backbone interact. energy: -0.779
local terms energy: -89.870036
where:
bonds (distance) C4'-P energy: -17.047
bonds (distance) P-C4' energy: -18.056
flat angles C4'-P-C4' energy: -19.470
flat angles P-C4'-P energy: -10.024
tors. eta vs tors. theta energy: -25.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -256.332410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.332410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.332410 (E_RNA)
where:
Base-Base interactions energy: -170.823
where: short stacking energy: -62.781
Base-Backbone interact. energy: -0.787
local terms energy: -84.721478
where:
bonds (distance) C4'-P energy: -15.430
bonds (distance) P-C4' energy: -18.505
flat angles C4'-P-C4' energy: -17.825
flat angles P-C4'-P energy: -13.239
tors. eta vs tors. theta energy: -19.722
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: 7, replica: 4
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -99.898806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.898806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.898806 (E_RNA)
where:
Base-Base interactions energy: -33.564
where: short stacking energy: -28.341
Base-Backbone interact. energy: -0.953
local terms energy: -65.381218
where:
bonds (distance) C4'-P energy: -16.109
bonds (distance) P-C4' energy: -15.279
flat angles C4'-P-C4' energy: -16.233
flat angles P-C4'-P energy: -13.376
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: 8, replica: 3
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -145.741987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.741987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.741987 (E_RNA)
where:
Base-Base interactions energy: -78.082
where: short stacking energy: -30.084
Base-Backbone interact. energy: 0.230
local terms energy: -67.890029
where:
bonds (distance) C4'-P energy: -19.118
bonds (distance) P-C4' energy: -15.652
flat angles C4'-P-C4' energy: -18.291
flat angles P-C4'-P energy: -15.193
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: 9, replica: 6
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -89.952367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.952367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.952367 (E_RNA)
where:
Base-Base interactions energy: -33.354
where: short stacking energy: -33.269
Base-Backbone interact. energy: -0.164
local terms energy: -56.434113
where:
bonds (distance) C4'-P energy: -11.236
bonds (distance) P-C4' energy: -13.622
flat angles C4'-P-C4' energy: -17.415
flat angles P-C4'-P energy: -11.988
tors. eta vs tors. theta energy: -2.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -105.848063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.848063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.848063 (E_RNA)
where:
Base-Base interactions energy: -51.118
where: short stacking energy: -28.727
Base-Backbone interact. energy: 0.109
local terms energy: -54.838716
where:
bonds (distance) C4'-P energy: -15.367
bonds (distance) P-C4' energy: -12.850
flat angles C4'-P-C4' energy: -14.968
flat angles P-C4'-P energy: -10.150
tors. eta vs tors. theta energy: -1.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -299.721533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.721533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.721533 (E_RNA)
where:
Base-Base interactions energy: -199.335
where: short stacking energy: -75.067
Base-Backbone interact. energy: -0.504
local terms energy: -99.882424
where:
bonds (distance) C4'-P energy: -19.553
bonds (distance) P-C4' energy: -22.595
flat angles C4'-P-C4' energy: -21.685
flat angles P-C4'-P energy: -15.265
tors. eta vs tors. theta energy: -20.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -293.797318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.797318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.797318 (E_RNA)
where:
Base-Base interactions energy: -202.634
where: short stacking energy: -83.385
Base-Backbone interact. energy: -0.002
local terms energy: -91.161066
where:
bonds (distance) C4'-P energy: -14.321
bonds (distance) P-C4' energy: -13.705
flat angles C4'-P-C4' energy: -18.586
flat angles P-C4'-P energy: -17.041
tors. eta vs tors. theta energy: -27.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -273.205496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.205496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.205496 (E_RNA)
where:
Base-Base interactions energy: -197.182
where: short stacking energy: -79.578
Base-Backbone interact. energy: -0.127
local terms energy: -75.896652
where:
bonds (distance) C4'-P energy: -12.212
bonds (distance) P-C4' energy: -15.054
flat angles C4'-P-C4' energy: -17.342
flat angles P-C4'-P energy: -11.206
tors. eta vs tors. theta energy: -20.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -267.128116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.128116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.128116 (E_RNA)
where:
Base-Base interactions energy: -184.856
where: short stacking energy: -78.990
Base-Backbone interact. energy: -0.005
local terms energy: -82.267064
where:
bonds (distance) C4'-P energy: -13.077
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -19.354
flat angles P-C4'-P energy: -12.788
tors. eta vs tors. theta energy: -23.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -267.495848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.495848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.495848 (E_RNA)
where:
Base-Base interactions energy: -177.313
where: short stacking energy: -67.256
Base-Backbone interact. energy: -0.149
local terms energy: -90.033846
where:
bonds (distance) C4'-P energy: -19.723
bonds (distance) P-C4' energy: -18.752
flat angles C4'-P-C4' energy: -17.947
flat angles P-C4'-P energy: -13.299
tors. eta vs tors. theta energy: -20.313
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: 2
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -264.874055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.874055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.874055 (E_RNA)
where:
Base-Base interactions energy: -181.607
where: short stacking energy: -71.761
Base-Backbone interact. energy: -0.085
local terms energy: -83.181696
where:
bonds (distance) C4'-P energy: -14.527
bonds (distance) P-C4' energy: -17.089
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -24.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -102.761164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.761164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.761164 (E_RNA)
where:
Base-Base interactions energy: -44.672
where: short stacking energy: -42.693
Base-Backbone interact. energy: -0.589
local terms energy: -57.500830
where:
bonds (distance) C4'-P energy: -15.736
bonds (distance) P-C4' energy: -19.946
flat angles C4'-P-C4' energy: -6.286
flat angles P-C4'-P energy: -11.410
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: 8, replica: 3
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -142.942813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.942813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.942813 (E_RNA)
where:
Base-Base interactions energy: -80.666
where: short stacking energy: -35.706
Base-Backbone interact. energy: -0.425
local terms energy: -61.851085
where:
bonds (distance) C4'-P energy: -14.079
bonds (distance) P-C4' energy: -15.427
flat angles C4'-P-C4' energy: -14.173
flat angles P-C4'-P energy: -12.314
tors. eta vs tors. theta energy: -5.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -109.574151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.574151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.574151 (E_RNA)
where:
Base-Base interactions energy: -42.014
where: short stacking energy: -41.281
Base-Backbone interact. energy: 0.276
local terms energy: -67.835914
where:
bonds (distance) C4'-P energy: -11.803
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -13.329
flat angles P-C4'-P energy: -12.626
tors. eta vs tors. theta energy: -12.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -84.452382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.452382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.452382 (E_RNA)
where:
Base-Base interactions energy: -38.452
where: short stacking energy: -24.608
Base-Backbone interact. energy: -0.506
local terms energy: -45.493957
where:
bonds (distance) C4'-P energy: -13.283
bonds (distance) P-C4' energy: -12.561
flat angles C4'-P-C4' energy: -15.807
flat angles P-C4'-P energy: -2.717
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: 1, replica: 9
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -291.863886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.863886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.863886 (E_RNA)
where:
Base-Base interactions energy: -198.038
where: short stacking energy: -79.484
Base-Backbone interact. energy: -0.108
local terms energy: -93.717839
where:
bonds (distance) C4'-P energy: -16.095
bonds (distance) P-C4' energy: -22.194
flat angles C4'-P-C4' energy: -19.286
flat angles P-C4'-P energy: -13.204
tors. eta vs tors. theta energy: -22.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -276.572403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.572403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.572403 (E_RNA)
where:
Base-Base interactions energy: -201.001
where: short stacking energy: -79.334
Base-Backbone interact. energy: -0.170
local terms energy: -75.401104
where:
bonds (distance) C4'-P energy: -7.828
bonds (distance) P-C4' energy: -14.746
flat angles C4'-P-C4' energy: -18.028
flat angles P-C4'-P energy: -13.268
tors. eta vs tors. theta energy: -21.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -272.497535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.497535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.497535 (E_RNA)
where:
Base-Base interactions energy: -191.275
where: short stacking energy: -78.121
Base-Backbone interact. energy: -0.109
local terms energy: -81.113421
where:
bonds (distance) C4'-P energy: -12.903
bonds (distance) P-C4' energy: -20.479
flat angles C4'-P-C4' energy: -18.930
flat angles P-C4'-P energy: -13.687
tors. eta vs tors. theta energy: -15.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -278.619808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.619808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.619808 (E_RNA)
where:
Base-Base interactions energy: -190.242
where: short stacking energy: -78.390
Base-Backbone interact. energy: -0.938
local terms energy: -87.439531
where:
bonds (distance) C4'-P energy: -16.225
bonds (distance) P-C4' energy: -18.324
flat angles C4'-P-C4' energy: -18.495
flat angles P-C4'-P energy: -9.326
tors. eta vs tors. theta energy: -25.069
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: 2
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -271.208786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.208786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.208786 (E_RNA)
where:
Base-Base interactions energy: -193.969
where: short stacking energy: -71.833
Base-Backbone interact. energy: -0.029
local terms energy: -77.210816
where:
bonds (distance) C4'-P energy: -11.777
bonds (distance) P-C4' energy: -15.496
flat angles C4'-P-C4' energy: -13.340
flat angles P-C4'-P energy: -13.120
tors. eta vs tors. theta energy: -23.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -270.504028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.504028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.504028 (E_RNA)
where:
Base-Base interactions energy: -177.040
where: short stacking energy: -76.730
Base-Backbone interact. energy: -0.818
local terms energy: -92.646367
where:
bonds (distance) C4'-P energy: -18.914
bonds (distance) P-C4' energy: -15.690
flat angles C4'-P-C4' energy: -17.919
flat angles P-C4'-P energy: -15.636
tors. eta vs tors. theta energy: -24.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -180.813329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.813329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.813329 (E_RNA)
where:
Base-Base interactions energy: -104.839
where: short stacking energy: -52.066
Base-Backbone interact. energy: -0.030
local terms energy: -75.943698
where:
bonds (distance) C4'-P energy: -16.189
bonds (distance) P-C4' energy: -19.712
flat angles C4'-P-C4' energy: -15.626
flat angles P-C4'-P energy: -12.599
tors. eta vs tors. theta energy: -11.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -103.056575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.056575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.056575 (E_RNA)
where:
Base-Base interactions energy: -45.115
where: short stacking energy: -35.395
Base-Backbone interact. energy: -0.109
local terms energy: -57.832234
where:
bonds (distance) C4'-P energy: -20.691
bonds (distance) P-C4' energy: -13.210
flat angles C4'-P-C4' energy: -12.691
flat angles P-C4'-P energy: -7.321
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: 9, replica: 8
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -90.099902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.099902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.099902 (E_RNA)
where:
Base-Base interactions energy: -47.167
where: short stacking energy: -30.440
Base-Backbone interact. energy: 0.655
local terms energy: -43.586968
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -17.404
flat angles C4'-P-C4' energy: -9.112
flat angles P-C4'-P energy: -4.436
tors. eta vs tors. theta energy: -0.868
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: 6
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -92.071006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.071006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.071006 (E_RNA)
where:
Base-Base interactions energy: -30.379
where: short stacking energy: -28.700
Base-Backbone interact. energy: -0.323
local terms energy: -61.368713
where:
bonds (distance) C4'-P energy: -13.964
bonds (distance) P-C4' energy: -14.848
flat angles C4'-P-C4' energy: -19.251
flat angles P-C4'-P energy: -12.019
tors. eta vs tors. theta energy: -1.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -281.325333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.325333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.325333 (E_RNA)
where:
Base-Base interactions energy: -194.751
where: short stacking energy: -74.375
Base-Backbone interact. energy: -0.191
local terms energy: -86.383630
where:
bonds (distance) C4'-P energy: -20.778
bonds (distance) P-C4' energy: -18.081
flat angles C4'-P-C4' energy: -19.424
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: -18.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -284.712817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.712817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.712817 (E_RNA)
where:
Base-Base interactions energy: -202.815
where: short stacking energy: -84.673
Base-Backbone interact. energy: -0.480
local terms energy: -81.417417
where:
bonds (distance) C4'-P energy: -15.078
bonds (distance) P-C4' energy: -18.295
flat angles C4'-P-C4' energy: -11.838
flat angles P-C4'-P energy: -10.413
tors. eta vs tors. theta energy: -25.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -282.436660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.436660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.436660 (E_RNA)
where:
Base-Base interactions energy: -189.505
where: short stacking energy: -72.339
Base-Backbone interact. energy: -0.491
local terms energy: -92.439908
where:
bonds (distance) C4'-P energy: -18.588
bonds (distance) P-C4' energy: -19.586
flat angles C4'-P-C4' energy: -14.694
flat angles P-C4'-P energy: -12.727
tors. eta vs tors. theta energy: -26.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -277.727508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.727508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.727508 (E_RNA)
where:
Base-Base interactions energy: -192.631
where: short stacking energy: -75.583
Base-Backbone interact. energy: -0.343
local terms energy: -84.753627
where:
bonds (distance) C4'-P energy: -18.377
bonds (distance) P-C4' energy: -18.816
flat angles C4'-P-C4' energy: -15.013
flat angles P-C4'-P energy: -12.381
tors. eta vs tors. theta energy: -20.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -267.717864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.717864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.717864 (E_RNA)
where:
Base-Base interactions energy: -184.657
where: short stacking energy: -68.861
Base-Backbone interact. energy: -0.490
local terms energy: -82.570907
where:
bonds (distance) C4'-P energy: -16.870
bonds (distance) P-C4' energy: -19.939
flat angles C4'-P-C4' energy: -17.438
flat angles P-C4'-P energy: -5.476
tors. eta vs tors. theta energy: -22.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -274.174102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.174102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.174102 (E_RNA)
where:
Base-Base interactions energy: -182.151
where: short stacking energy: -72.037
Base-Backbone interact. energy: -0.483
local terms energy: -91.540054
where:
bonds (distance) C4'-P energy: -15.458
bonds (distance) P-C4' energy: -22.187
flat angles C4'-P-C4' energy: -18.041
flat angles P-C4'-P energy: -13.917
tors. eta vs tors. theta energy: -21.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -147.973904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.973904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.973904 (E_RNA)
where:
Base-Base interactions energy: -86.690
where: short stacking energy: -36.523
Base-Backbone interact. energy: -0.838
local terms energy: -60.446446
where:
bonds (distance) C4'-P energy: -15.513
bonds (distance) P-C4' energy: -15.300
flat angles C4'-P-C4' energy: -16.612
flat angles P-C4'-P energy: -12.747
tors. eta vs tors. theta energy: -0.274
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: 8, replica: 8
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -91.835209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.835209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.835209 (E_RNA)
where:
Base-Base interactions energy: -24.299
where: short stacking energy: -24.299
Base-Backbone interact. energy: 0.227
local terms energy: -67.763764
where:
bonds (distance) C4'-P energy: -18.356
bonds (distance) P-C4' energy: -18.636
flat angles C4'-P-C4' energy: -12.270
flat angles P-C4'-P energy: -16.228
tors. eta vs tors. theta energy: -2.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -101.162853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.162853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.162853 (E_RNA)
where:
Base-Base interactions energy: -41.306
where: short stacking energy: -33.740
Base-Backbone interact. energy: -0.242
local terms energy: -59.614743
where:
bonds (distance) C4'-P energy: -12.143
bonds (distance) P-C4' energy: -19.417
flat angles C4'-P-C4' energy: -17.356
flat angles P-C4'-P energy: -9.657
tors. eta vs tors. theta energy: -1.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -89.831016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.831016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.831016 (E_RNA)
where:
Base-Base interactions energy: -26.294
where: short stacking energy: -26.294
Base-Backbone interact. energy: -0.141
local terms energy: -63.396067
where:
bonds (distance) C4'-P energy: -14.241
bonds (distance) P-C4' energy: -15.463
flat angles C4'-P-C4' energy: -14.198
flat angles P-C4'-P energy: -14.368
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: 1, replica: 9
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -292.281334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.281334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.281334 (E_RNA)
where:
Base-Base interactions energy: -203.721
where: short stacking energy: -74.609
Base-Backbone interact. energy: -0.253
local terms energy: -88.307343
where:
bonds (distance) C4'-P energy: -18.592
bonds (distance) P-C4' energy: -17.794
flat angles C4'-P-C4' energy: -16.662
flat angles P-C4'-P energy: -15.313
tors. eta vs tors. theta energy: -19.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -297.023148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.023148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.023148 (E_RNA)
where:
Base-Base interactions energy: -204.397
where: short stacking energy: -86.181
Base-Backbone interact. energy: -2.212
local terms energy: -90.413594
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -14.337
flat angles C4'-P-C4' energy: -20.147
flat angles P-C4'-P energy: -12.304
tors. eta vs tors. theta energy: -26.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -273.202073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.202073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.202073 (E_RNA)
where:
Base-Base interactions energy: -178.857
where: short stacking energy: -81.383
Base-Backbone interact. energy: -0.855
local terms energy: -93.489684
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -18.320
flat angles C4'-P-C4' energy: -20.437
flat angles P-C4'-P energy: -13.378
tors. eta vs tors. theta energy: -25.120
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: 4, replica: 2
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -274.232759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.232759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.232759 (E_RNA)
where:
Base-Base interactions energy: -192.165
where: short stacking energy: -72.568
Base-Backbone interact. energy: -0.913
local terms energy: -81.154109
where:
bonds (distance) C4'-P energy: -13.422
bonds (distance) P-C4' energy: -14.179
flat angles C4'-P-C4' energy: -17.126
flat angles P-C4'-P energy: -14.555
tors. eta vs tors. theta energy: -21.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -286.351659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.351659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.351659 (E_RNA)
where:
Base-Base interactions energy: -187.943
where: short stacking energy: -79.184
Base-Backbone interact. energy: -1.615
local terms energy: -96.793067
where:
bonds (distance) C4'-P energy: -17.984
bonds (distance) P-C4' energy: -19.521
flat angles C4'-P-C4' energy: -19.896
flat angles P-C4'-P energy: -14.810
tors. eta vs tors. theta energy: -24.583
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: 7
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -263.945686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.945686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.945686 (E_RNA)
where:
Base-Base interactions energy: -177.033
where: short stacking energy: -69.430
Base-Backbone interact. energy: -1.594
local terms energy: -85.317861
where:
bonds (distance) C4'-P energy: -17.236
bonds (distance) P-C4' energy: -19.580
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: -10.309
tors. eta vs tors. theta energy: -22.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -179.412904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.412904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.412904 (E_RNA)
where:
Base-Base interactions energy: -112.704
where: short stacking energy: -55.974
Base-Backbone interact. energy: -1.011
local terms energy: -65.698094
where:
bonds (distance) C4'-P energy: -10.496
bonds (distance) P-C4' energy: -21.281
flat angles C4'-P-C4' energy: -9.039
flat angles P-C4'-P energy: -11.602
tors. eta vs tors. theta energy: -13.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -96.321909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.321909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.321909 (E_RNA)
where:
Base-Base interactions energy: -34.528
where: short stacking energy: -30.029
Base-Backbone interact. energy: 0.774
local terms energy: -62.567464
where:
bonds (distance) C4'-P energy: -18.525
bonds (distance) P-C4' energy: -16.478
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -12.472
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: 9, replica: 6
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -92.284273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.284273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.284273 (E_RNA)
where:
Base-Base interactions energy: -32.127
where: short stacking energy: -31.435
Base-Backbone interact. energy: -0.180
local terms energy: -59.976436
where:
bonds (distance) C4'-P energy: -11.332
bonds (distance) P-C4' energy: -12.493
flat angles C4'-P-C4' energy: -16.506
flat angles P-C4'-P energy: -14.786
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: 10, replica: 4
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -92.799865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.799865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.799865 (E_RNA)
where:
Base-Base interactions energy: -30.845
where: short stacking energy: -30.845
Base-Backbone interact. energy: 0.538
local terms energy: -62.493613
where:
bonds (distance) C4'-P energy: -16.115
bonds (distance) P-C4' energy: -15.615
flat angles C4'-P-C4' energy: -16.788
flat angles P-C4'-P energy: -9.701
tors. eta vs tors. theta energy: -4.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -288.825060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.825060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.825060 (E_RNA)
where:
Base-Base interactions energy: -196.101
where: short stacking energy: -75.482
Base-Backbone interact. energy: -0.204
local terms energy: -92.520614
where:
bonds (distance) C4'-P energy: -20.351
bonds (distance) P-C4' energy: -19.473
flat angles C4'-P-C4' energy: -18.310
flat angles P-C4'-P energy: -15.934
tors. eta vs tors. theta energy: -18.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -290.208544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.208544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.208544 (E_RNA)
where:
Base-Base interactions energy: -199.502
where: short stacking energy: -70.819
Base-Backbone interact. energy: -0.061
local terms energy: -90.645290
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -16.987
flat angles C4'-P-C4' energy: -17.423
flat angles P-C4'-P energy: -12.161
tors. eta vs tors. theta energy: -27.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -281.218827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.218827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.218827 (E_RNA)
where:
Base-Base interactions energy: -185.807
where: short stacking energy: -77.957
Base-Backbone interact. energy: -0.001
local terms energy: -95.410365
where:
bonds (distance) C4'-P energy: -16.440
bonds (distance) P-C4' energy: -18.673
flat angles C4'-P-C4' energy: -23.054
flat angles P-C4'-P energy: -12.802
tors. eta vs tors. theta energy: -24.441
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: 1
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -279.528759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.528759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.528759 (E_RNA)
where:
Base-Base interactions energy: -182.437
where: short stacking energy: -77.506
Base-Backbone interact. energy: -0.961
local terms energy: -96.130488
where:
bonds (distance) C4'-P energy: -17.809
bonds (distance) P-C4' energy: -19.280
flat angles C4'-P-C4' energy: -21.928
flat angles P-C4'-P energy: -14.750
tors. eta vs tors. theta energy: -22.363
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: 5, replica: 2
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -273.862698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.862698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.862698 (E_RNA)
where:
Base-Base interactions energy: -183.217
where: short stacking energy: -81.356
Base-Backbone interact. energy: -0.013
local terms energy: -90.632762
where:
bonds (distance) C4'-P energy: -15.963
bonds (distance) P-C4' energy: -15.288
flat angles C4'-P-C4' energy: -19.762
flat angles P-C4'-P energy: -15.120
tors. eta vs tors. theta energy: -24.501
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: 6, replica: 7
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -261.208249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.208249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.208249 (E_RNA)
where:
Base-Base interactions energy: -177.182
where: short stacking energy: -71.396
Base-Backbone interact. energy: -0.097
local terms energy: -83.928863
where:
bonds (distance) C4'-P energy: -17.715
bonds (distance) P-C4' energy: -16.220
flat angles C4'-P-C4' energy: -17.652
flat angles P-C4'-P energy: -10.206
tors. eta vs tors. theta energy: -22.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -153.549473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.549473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.549473 (E_RNA)
where:
Base-Base interactions energy: -89.655
where: short stacking energy: -42.250
Base-Backbone interact. energy: 0.135
local terms energy: -64.029982
where:
bonds (distance) C4'-P energy: -12.553
bonds (distance) P-C4' energy: -16.122
flat angles C4'-P-C4' energy: -18.520
flat angles P-C4'-P energy: -10.590
tors. eta vs tors. theta energy: -6.245
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: 8, replica: 6
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -94.063466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.063466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.063466 (E_RNA)
where:
Base-Base interactions energy: -37.404
where: short stacking energy: -36.225
Base-Backbone interact. energy: -0.090
local terms energy: -56.569919
where:
bonds (distance) C4'-P energy: -13.905
bonds (distance) P-C4' energy: -14.908
flat angles C4'-P-C4' energy: -17.475
flat angles P-C4'-P energy: -7.560
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: 8
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -87.420772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.420772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.420772 (E_RNA)
where:
Base-Base interactions energy: -21.493
where: short stacking energy: -20.764
Base-Backbone interact. energy: -0.033
local terms energy: -65.894845
where:
bonds (distance) C4'-P energy: -16.063
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -16.945
flat angles P-C4'-P energy: -11.365
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: 10, replica: 4
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -86.999346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.999346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.999346 (E_RNA)
where:
Base-Base interactions energy: -31.443
where: short stacking energy: -26.182
Base-Backbone interact. energy: -0.026
local terms energy: -55.530654
where:
bonds (distance) C4'-P energy: -16.403
bonds (distance) P-C4' energy: -19.039
flat angles C4'-P-C4' energy: -9.569
flat angles P-C4'-P energy: -6.706
tors. eta vs tors. theta energy: -3.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -293.291563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.291563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.291563 (E_RNA)
where:
Base-Base interactions energy: -202.588
where: short stacking energy: -76.258
Base-Backbone interact. energy: -0.737
local terms energy: -89.966647
where:
bonds (distance) C4'-P energy: -12.726
bonds (distance) P-C4' energy: -19.465
flat angles C4'-P-C4' energy: -19.552
flat angles P-C4'-P energy: -10.421
tors. eta vs tors. theta energy: -27.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -289.260051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.260051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.260051 (E_RNA)
where:
Base-Base interactions energy: -206.796
where: short stacking energy: -89.949
Base-Backbone interact. energy: -0.174
local terms energy: -82.290022
where:
bonds (distance) C4'-P energy: -7.359
bonds (distance) P-C4' energy: -18.546
flat angles C4'-P-C4' energy: -19.316
flat angles P-C4'-P energy: -10.544
tors. eta vs tors. theta energy: -26.526
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: 1
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -281.725450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.725450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.725450 (E_RNA)
where:
Base-Base interactions energy: -195.519
where: short stacking energy: -80.019
Base-Backbone interact. energy: -0.987
local terms energy: -85.219388
where:
bonds (distance) C4'-P energy: -12.758
bonds (distance) P-C4' energy: -19.580
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: -13.721
tors. eta vs tors. theta energy: -24.232
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: 10
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -280.791569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.791569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.791569 (E_RNA)
where:
Base-Base interactions energy: -188.714
where: short stacking energy: -79.077
Base-Backbone interact. energy: -0.015
local terms energy: -92.062224
where:
bonds (distance) C4'-P energy: -17.091
bonds (distance) P-C4' energy: -17.364
flat angles C4'-P-C4' energy: -19.887
flat angles P-C4'-P energy: -15.003
tors. eta vs tors. theta energy: -22.718
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: 68
Temperature: 1.100000
Total energy: -267.509022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.509022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.509022 (E_RNA)
where:
Base-Base interactions energy: -178.635
where: short stacking energy: -73.444
Base-Backbone interact. energy: -0.375
local terms energy: -88.498754
where:
bonds (distance) C4'-P energy: -19.353
bonds (distance) P-C4' energy: -19.916
flat angles C4'-P-C4' energy: -18.810
flat angles P-C4'-P energy: -13.980
tors. eta vs tors. theta energy: -16.440
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: 2
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -271.435528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.435528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.435528 (E_RNA)
where:
Base-Base interactions energy: -180.890
where: short stacking energy: -82.956
Base-Backbone interact. energy: -0.063
local terms energy: -90.481967
where:
bonds (distance) C4'-P energy: -18.331
bonds (distance) P-C4' energy: -17.458
flat angles C4'-P-C4' energy: -17.271
flat angles P-C4'-P energy: -14.630
tors. eta vs tors. theta energy: -22.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -173.012626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.012626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.012626 (E_RNA)
where:
Base-Base interactions energy: -99.292
where: short stacking energy: -50.801
Base-Backbone interact. energy: 0.853
local terms energy: -74.573708
where:
bonds (distance) C4'-P energy: -16.772
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -17.949
flat angles P-C4'-P energy: -14.447
tors. eta vs tors. theta energy: -9.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -109.274206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.274206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.274206 (E_RNA)
where:
Base-Base interactions energy: -47.509
where: short stacking energy: -36.591
Base-Backbone interact. energy: -1.272
local terms energy: -60.493303
where:
bonds (distance) C4'-P energy: -15.971
bonds (distance) P-C4' energy: -16.545
flat angles C4'-P-C4' energy: -13.811
flat angles P-C4'-P energy: -9.902
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: 9, replica: 4
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -93.816847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.816847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.816847 (E_RNA)
where:
Base-Base interactions energy: -34.197
where: short stacking energy: -31.247
Base-Backbone interact. energy: 0.047
local terms energy: -59.666830
where:
bonds (distance) C4'-P energy: -12.164
bonds (distance) P-C4' energy: -20.148
flat angles C4'-P-C4' energy: -12.092
flat angles P-C4'-P energy: -11.565
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: 10, replica: 8
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -93.708186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.708186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.708186 (E_RNA)
where:
Base-Base interactions energy: -31.483
where: short stacking energy: -28.294
Base-Backbone interact. energy: -0.136
local terms energy: -62.088940
where:
bonds (distance) C4'-P energy: -14.949
bonds (distance) P-C4' energy: -17.675
flat angles C4'-P-C4' energy: -14.622
flat angles P-C4'-P energy: -13.037
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: 1, replica: 5
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -296.747728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.747728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.747728 (E_RNA)
where:
Base-Base interactions energy: -205.616
where: short stacking energy: -81.786
Base-Backbone interact. energy: -2.097
local terms energy: -89.034064
where:
bonds (distance) C4'-P energy: -17.359
bonds (distance) P-C4' energy: -15.445
flat angles C4'-P-C4' energy: -17.317
flat angles P-C4'-P energy: -13.825
tors. eta vs tors. theta energy: -25.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -285.511595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.511595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.511595 (E_RNA)
where:
Base-Base interactions energy: -194.923
where: short stacking energy: -81.207
Base-Backbone interact. energy: -0.003
local terms energy: -90.585111
where:
bonds (distance) C4'-P energy: -21.524
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -15.779
flat angles P-C4'-P energy: -11.843
tors. eta vs tors. theta energy: -24.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -280.339896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.339896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.339896 (E_RNA)
where:
Base-Base interactions energy: -187.693
where: short stacking energy: -80.989
Base-Backbone interact. energy: -0.188
local terms energy: -92.459354
where:
bonds (distance) C4'-P energy: -14.916
bonds (distance) P-C4' energy: -19.027
flat angles C4'-P-C4' energy: -17.539
flat angles P-C4'-P energy: -15.839
tors. eta vs tors. theta energy: -25.138
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: 4, replica: 10
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -279.254490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.254490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.254490 (E_RNA)
where:
Base-Base interactions energy: -193.604
where: short stacking energy: -85.809
Base-Backbone interact. energy: -1.144
local terms energy: -84.506726
where:
bonds (distance) C4'-P energy: -14.617
bonds (distance) P-C4' energy: -14.662
flat angles C4'-P-C4' energy: -19.731
flat angles P-C4'-P energy: -9.303
tors. eta vs tors. theta energy: -26.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -280.176026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.176026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.176026 (E_RNA)
where:
Base-Base interactions energy: -195.244
where: short stacking energy: -81.080
Base-Backbone interact. energy: -0.468
local terms energy: -84.464086
where:
bonds (distance) C4'-P energy: -15.679
bonds (distance) P-C4' energy: -14.640
flat angles C4'-P-C4' energy: -19.213
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -23.910
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: 6, replica: 2
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -282.466903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.466903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.466903 (E_RNA)
where:
Base-Base interactions energy: -190.724
where: short stacking energy: -77.576
Base-Backbone interact. energy: -0.003
local terms energy: -91.739880
where:
bonds (distance) C4'-P energy: -18.406
bonds (distance) P-C4' energy: -18.234
flat angles C4'-P-C4' energy: -16.010
flat angles P-C4'-P energy: -10.218
tors. eta vs tors. theta energy: -28.872
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: 3
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -192.266728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.266728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.266728 (E_RNA)
where:
Base-Base interactions energy: -114.837
where: short stacking energy: -67.222
Base-Backbone interact. energy: -0.305
local terms energy: -77.125232
where:
bonds (distance) C4'-P energy: -10.983
bonds (distance) P-C4' energy: -16.279
flat angles C4'-P-C4' energy: -19.210
flat angles P-C4'-P energy: -8.628
tors. eta vs tors. theta energy: -22.024
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: 69
Temperature: 1.250000
Total energy: -103.457922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.457922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.457922 (E_RNA)
where:
Base-Base interactions energy: -40.462
where: short stacking energy: -40.462
Base-Backbone interact. energy: -0.192
local terms energy: -62.803362
where:
bonds (distance) C4'-P energy: -18.336
bonds (distance) P-C4' energy: -13.729
flat angles C4'-P-C4' energy: -16.305
flat angles P-C4'-P energy: -11.014
tors. eta vs tors. theta energy: -3.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -96.619256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.619256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.619256 (E_RNA)
where:
Base-Base interactions energy: -35.543
where: short stacking energy: -35.486
Base-Backbone interact. energy: -0.060
local terms energy: -61.016756
where:
bonds (distance) C4'-P energy: -17.644
bonds (distance) P-C4' energy: -12.253
flat angles C4'-P-C4' energy: -16.688
flat angles P-C4'-P energy: -6.910
tors. eta vs tors. theta energy: -7.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 69
Temperature: 1.350000
Total energy: -92.978974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.978974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.978974 (E_RNA)
where:
Base-Base interactions energy: -30.731
where: short stacking energy: -30.731
Base-Backbone interact. energy: -0.404
local terms energy: -61.844514
where:
bonds (distance) C4'-P energy: -18.352
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -8.279
flat angles P-C4'-P energy: -10.532
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: 1, replica: 1
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -290.972604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.972604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.972604 (E_RNA)
where:
Base-Base interactions energy: -197.504
where: short stacking energy: -85.465
Base-Backbone interact. energy: -0.019
local terms energy: -93.449252
where:
bonds (distance) C4'-P energy: -15.640
bonds (distance) P-C4' energy: -17.236
flat angles C4'-P-C4' energy: -17.271
flat angles P-C4'-P energy: -14.211
tors. eta vs tors. theta energy: -29.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -288.350213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.350213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.350213 (E_RNA)
where:
Base-Base interactions energy: -195.112
where: short stacking energy: -80.043
Base-Backbone interact. energy: -0.006
local terms energy: -93.231625
where:
bonds (distance) C4'-P energy: -19.247
bonds (distance) P-C4' energy: -17.456
flat angles C4'-P-C4' energy: -22.191
flat angles P-C4'-P energy: -10.976
tors. eta vs tors. theta energy: -23.362
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: 10
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -286.501147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.501147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.501147 (E_RNA)
where:
Base-Base interactions energy: -196.134
where: short stacking energy: -79.209
Base-Backbone interact. energy: -0.002
local terms energy: -90.365081
where:
bonds (distance) C4'-P energy: -10.501
bonds (distance) P-C4' energy: -17.381
flat angles C4'-P-C4' energy: -17.837
flat angles P-C4'-P energy: -16.343
tors. eta vs tors. theta energy: -28.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -276.927556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.927556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.927556 (E_RNA)
where:
Base-Base interactions energy: -190.748
where: short stacking energy: -75.319
Base-Backbone interact. energy: -0.075
local terms energy: -86.104391
where:
bonds (distance) C4'-P energy: -11.578
bonds (distance) P-C4' energy: -19.756
flat angles C4'-P-C4' energy: -18.298
flat angles P-C4'-P energy: -14.650
tors. eta vs tors. theta energy: -21.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -263.053042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.053042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.053042 (E_RNA)
where:
Base-Base interactions energy: -174.156
where: short stacking energy: -73.080
Base-Backbone interact. energy: -0.008
local terms energy: -88.889114
where:
bonds (distance) C4'-P energy: -10.272
bonds (distance) P-C4' energy: -18.253
flat angles C4'-P-C4' energy: -20.056
flat angles P-C4'-P energy: -14.514
tors. eta vs tors. theta energy: -25.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -273.091877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.091877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.091877 (E_RNA)
where:
Base-Base interactions energy: -182.362
where: short stacking energy: -79.472
Base-Backbone interact. energy: -0.245
local terms energy: -90.484900
where:
bonds (distance) C4'-P energy: -16.977
bonds (distance) P-C4' energy: -20.851
flat angles C4'-P-C4' energy: -16.197
flat angles P-C4'-P energy: -11.639
tors. eta vs tors. theta energy: -24.821
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: 3
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -175.493585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.493585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.493585 (E_RNA)
where:
Base-Base interactions energy: -102.950
where: short stacking energy: -51.937
Base-Backbone interact. energy: -0.058
local terms energy: -72.484676
where:
bonds (distance) C4'-P energy: -15.091
bonds (distance) P-C4' energy: -17.681
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -9.854
tors. eta vs tors. theta energy: -14.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -110.333049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.333049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.333049 (E_RNA)
where:
Base-Base interactions energy: -44.672
where: short stacking energy: -39.258
Base-Backbone interact. energy: -0.102
local terms energy: -65.559068
where:
bonds (distance) C4'-P energy: -12.172
bonds (distance) P-C4' energy: -20.165
flat angles C4'-P-C4' energy: -16.114
flat angles P-C4'-P energy: -6.923
tors. eta vs tors. theta energy: -10.185
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: 8
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -88.996740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.996740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.996740 (E_RNA)
where:
Base-Base interactions energy: -29.131
where: short stacking energy: -29.131
Base-Backbone interact. energy: -0.270
local terms energy: -59.595301
where:
bonds (distance) C4'-P energy: -16.109
bonds (distance) P-C4' energy: -16.733
flat angles C4'-P-C4' energy: -14.114
flat angles P-C4'-P energy: -11.200
tors. eta vs tors. theta energy: -1.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -88.679650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.679650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.679650 (E_RNA)
where:
Base-Base interactions energy: -36.263
where: short stacking energy: -28.652
Base-Backbone interact. energy: 0.506
local terms energy: -52.922238
where:
bonds (distance) C4'-P energy: -15.579
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -15.801
flat angles P-C4'-P energy: -8.603
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: 1, replica: 1
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -291.323638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.323638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.323638 (E_RNA)
where:
Base-Base interactions energy: -190.198
where: short stacking energy: -75.311
Base-Backbone interact. energy: -0.112
local terms energy: -101.013835
where:
bonds (distance) C4'-P energy: -20.795
bonds (distance) P-C4' energy: -19.041
flat angles C4'-P-C4' energy: -19.665
flat angles P-C4'-P energy: -13.741
tors. eta vs tors. theta energy: -27.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -283.259550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.259550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.259550 (E_RNA)
where:
Base-Base interactions energy: -185.376
where: short stacking energy: -67.250
Base-Backbone interact. energy: -0.055
local terms energy: -97.828348
where:
bonds (distance) C4'-P energy: -17.619
bonds (distance) P-C4' energy: -18.400
flat angles C4'-P-C4' energy: -19.652
flat angles P-C4'-P energy: -15.218
tors. eta vs tors. theta energy: -26.939
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: 10
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -286.952533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.952533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.952533 (E_RNA)
where:
Base-Base interactions energy: -190.673
where: short stacking energy: -84.574
Base-Backbone interact. energy: -0.047
local terms energy: -96.233234
where:
bonds (distance) C4'-P energy: -18.493
bonds (distance) P-C4' energy: -19.594
flat angles C4'-P-C4' energy: -20.749
flat angles P-C4'-P energy: -12.898
tors. eta vs tors. theta energy: -24.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -282.205618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.205618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.205618 (E_RNA)
where:
Base-Base interactions energy: -191.000
where: short stacking energy: -68.171
Base-Backbone interact. energy: -0.080
local terms energy: -91.125994
where:
bonds (distance) C4'-P energy: -13.835
bonds (distance) P-C4' energy: -19.838
flat angles C4'-P-C4' energy: -22.050
flat angles P-C4'-P energy: -14.081
tors. eta vs tors. theta energy: -21.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -257.487346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.487346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.487346 (E_RNA)
where:
Base-Base interactions energy: -174.648
where: short stacking energy: -70.994
Base-Backbone interact. energy: -0.004
local terms energy: -82.835116
where:
bonds (distance) C4'-P energy: -16.307
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -16.580
flat angles P-C4'-P energy: -10.181
tors. eta vs tors. theta energy: -25.213
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: 7
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -269.212131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.212131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.212131 (E_RNA)
where:
Base-Base interactions energy: -180.823
where: short stacking energy: -71.072
Base-Backbone interact. energy: -0.199
local terms energy: -88.190227
where:
bonds (distance) C4'-P energy: -13.654
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -18.847
flat angles P-C4'-P energy: -15.066
tors. eta vs tors. theta energy: -24.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -192.876043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.876043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.876043 (E_RNA)
where:
Base-Base interactions energy: -121.366
where: short stacking energy: -53.423
Base-Backbone interact. energy: -0.202
local terms energy: -71.307717
where:
bonds (distance) C4'-P energy: -13.728
bonds (distance) P-C4' energy: -13.423
flat angles C4'-P-C4' energy: -17.682
flat angles P-C4'-P energy: -10.460
tors. eta vs tors. theta energy: -16.015
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: 8
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -101.665489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.665489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.665489 (E_RNA)
where:
Base-Base interactions energy: -37.354
where: short stacking energy: -28.932
Base-Backbone interact. energy: -0.024
local terms energy: -64.287675
where:
bonds (distance) C4'-P energy: -17.567
bonds (distance) P-C4' energy: -19.520
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -9.764
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: 9, replica: 4
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -86.694223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.694223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.694223 (E_RNA)
where:
Base-Base interactions energy: -28.870
where: short stacking energy: -20.996
Base-Backbone interact. energy: -0.329
local terms energy: -57.495070
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -17.197
flat angles C4'-P-C4' energy: -16.677
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: -0.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -91.615187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.615187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.615187 (E_RNA)
where:
Base-Base interactions energy: -35.909
where: short stacking energy: -28.246
Base-Backbone interact. energy: 0.285
local terms energy: -55.991024
where:
bonds (distance) C4'-P energy: -15.110
bonds (distance) P-C4' energy: -13.515
flat angles C4'-P-C4' energy: -15.888
flat angles P-C4'-P energy: -11.095
tors. eta vs tors. theta energy: -0.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -284.678781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.678781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.678781 (E_RNA)
where:
Base-Base interactions energy: -188.584
where: short stacking energy: -79.976
Base-Backbone interact. energy: -0.105
local terms energy: -95.989825
where:
bonds (distance) C4'-P energy: -16.949
bonds (distance) P-C4' energy: -20.599
flat angles C4'-P-C4' energy: -21.435
flat angles P-C4'-P energy: -13.536
tors. eta vs tors. theta energy: -23.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -285.529619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.529619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.529619 (E_RNA)
where:
Base-Base interactions energy: -191.924
where: short stacking energy: -72.614
Base-Backbone interact. energy: -0.310
local terms energy: -93.295692
where:
bonds (distance) C4'-P energy: -18.717
bonds (distance) P-C4' energy: -14.341
flat angles C4'-P-C4' energy: -21.777
flat angles P-C4'-P energy: -13.901
tors. eta vs tors. theta energy: -24.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -276.252365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.252365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.252365 (E_RNA)
where:
Base-Base interactions energy: -185.993
where: short stacking energy: -87.457
Base-Backbone interact. energy: -0.296
local terms energy: -89.963028
where:
bonds (distance) C4'-P energy: -17.695
bonds (distance) P-C4' energy: -15.166
flat angles C4'-P-C4' energy: -16.044
flat angles P-C4'-P energy: -14.610
tors. eta vs tors. theta energy: -26.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -271.538441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.538441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.538441 (E_RNA)
where:
Base-Base interactions energy: -181.830
where: short stacking energy: -79.064
Base-Backbone interact. energy: -2.858
local terms energy: -86.850405
where:
bonds (distance) C4'-P energy: -18.225
bonds (distance) P-C4' energy: -20.454
flat angles C4'-P-C4' energy: -17.610
flat angles P-C4'-P energy: -8.188
tors. eta vs tors. theta energy: -22.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -276.169158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.169158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.169158 (E_RNA)
where:
Base-Base interactions energy: -186.449
where: short stacking energy: -80.688
Base-Backbone interact. energy: -0.002
local terms energy: -89.717479
where:
bonds (distance) C4'-P energy: -18.633
bonds (distance) P-C4' energy: -12.536
flat angles C4'-P-C4' energy: -16.287
flat angles P-C4'-P energy: -14.076
tors. eta vs tors. theta energy: -28.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -269.114148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.114148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.114148 (E_RNA)
where:
Base-Base interactions energy: -185.479
where: short stacking energy: -78.281
Base-Backbone interact. energy: -0.654
local terms energy: -82.981705
where:
bonds (distance) C4'-P energy: -10.126
bonds (distance) P-C4' energy: -18.557
flat angles C4'-P-C4' energy: -17.303
flat angles P-C4'-P energy: -12.125
tors. eta vs tors. theta energy: -24.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -220.183759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.183759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.183759 (E_RNA)
where:
Base-Base interactions energy: -141.439
where: short stacking energy: -55.098
Base-Backbone interact. energy: -0.193
local terms energy: -78.551973
where:
bonds (distance) C4'-P energy: -15.315
bonds (distance) P-C4' energy: -20.926
flat angles C4'-P-C4' energy: -16.436
flat angles P-C4'-P energy: -8.359
tors. eta vs tors. theta energy: -17.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -116.417138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.417138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.417138 (E_RNA)
where:
Base-Base interactions energy: -43.103
where: short stacking energy: -43.073
Base-Backbone interact. energy: 0.204
local terms energy: -73.517597
where:
bonds (distance) C4'-P energy: -19.385
bonds (distance) P-C4' energy: -20.021
flat angles C4'-P-C4' energy: -16.965
flat angles P-C4'-P energy: -9.595
tors. eta vs tors. theta energy: -7.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -92.454887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.454887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.454887 (E_RNA)
where:
Base-Base interactions energy: -35.433
where: short stacking energy: -30.002
Base-Backbone interact. energy: -0.253
local terms energy: -56.768776
where:
bonds (distance) C4'-P energy: -15.955
bonds (distance) P-C4' energy: -19.583
flat angles C4'-P-C4' energy: -16.328
flat angles P-C4'-P energy: -9.101
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: 10, replica: 6
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -88.308104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.308104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.308104 (E_RNA)
where:
Base-Base interactions energy: -35.641
where: short stacking energy: -31.252
Base-Backbone interact. energy: -0.162
local terms energy: -52.504747
where:
bonds (distance) C4'-P energy: -12.826
bonds (distance) P-C4' energy: -21.945
flat angles C4'-P-C4' energy: -11.502
flat angles P-C4'-P energy: -5.661
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: 1, replica: 1
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -291.262045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.262045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.262045 (E_RNA)
where:
Base-Base interactions energy: -188.965
where: short stacking energy: -86.166
Base-Backbone interact. energy: -1.148
local terms energy: -101.149586
where:
bonds (distance) C4'-P energy: -20.037
bonds (distance) P-C4' energy: -18.201
flat angles C4'-P-C4' energy: -20.491
flat angles P-C4'-P energy: -15.008
tors. eta vs tors. theta energy: -27.412
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: 10
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -280.205630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.205630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.205630 (E_RNA)
where:
Base-Base interactions energy: -186.222
where: short stacking energy: -82.243
Base-Backbone interact. energy: -0.366
local terms energy: -93.617659
where:
bonds (distance) C4'-P energy: -17.826
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -21.018
flat angles P-C4'-P energy: -13.649
tors. eta vs tors. theta energy: -25.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -278.704827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.704827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.704827 (E_RNA)
where:
Base-Base interactions energy: -188.276
where: short stacking energy: -74.080
Base-Backbone interact. energy: -0.696
local terms energy: -89.733205
where:
bonds (distance) C4'-P energy: -17.481
bonds (distance) P-C4' energy: -14.311
flat angles C4'-P-C4' energy: -20.250
flat angles P-C4'-P energy: -12.379
tors. eta vs tors. theta energy: -25.312
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: 4, replica: 9
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -276.322493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.322493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.322493 (E_RNA)
where:
Base-Base interactions energy: -192.274
where: short stacking energy: -74.304
Base-Backbone interact. energy: -0.284
local terms energy: -83.764111
where:
bonds (distance) C4'-P energy: -16.977
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -20.396
flat angles P-C4'-P energy: -9.277
tors. eta vs tors. theta energy: -23.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -272.896070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.896070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.896070 (E_RNA)
where:
Base-Base interactions energy: -177.586
where: short stacking energy: -77.696
Base-Backbone interact. energy: -0.025
local terms energy: -95.284726
where:
bonds (distance) C4'-P energy: -19.512
bonds (distance) P-C4' energy: -18.860
flat angles C4'-P-C4' energy: -18.939
flat angles P-C4'-P energy: -14.194
tors. eta vs tors. theta energy: -23.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -252.984309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.984309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.984309 (E_RNA)
where:
Base-Base interactions energy: -169.401
where: short stacking energy: -68.538
Base-Backbone interact. energy: -0.090
local terms energy: -83.492899
where:
bonds (distance) C4'-P energy: -13.093
bonds (distance) P-C4' energy: -21.263
flat angles C4'-P-C4' energy: -17.782
flat angles P-C4'-P energy: -11.340
tors. eta vs tors. theta energy: -20.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -239.931653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.931653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.931653 (E_RNA)
where:
Base-Base interactions energy: -160.975
where: short stacking energy: -64.325
Base-Backbone interact. energy: -0.108
local terms energy: -78.848013
where:
bonds (distance) C4'-P energy: -15.392
bonds (distance) P-C4' energy: -16.651
flat angles C4'-P-C4' energy: -17.068
flat angles P-C4'-P energy: -12.211
tors. eta vs tors. theta energy: -17.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -118.189135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.189135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.189135 (E_RNA)
where:
Base-Base interactions energy: -45.550
where: short stacking energy: -41.650
Base-Backbone interact. energy: -0.404
local terms energy: -72.234782
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -14.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -109.080105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.080105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.080105 (E_RNA)
where:
Base-Base interactions energy: -48.924
where: short stacking energy: -24.733
Base-Backbone interact. energy: -1.279
local terms energy: -58.877221
where:
bonds (distance) C4'-P energy: -13.707
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -19.429
flat angles P-C4'-P energy: -7.305
tors. eta vs tors. theta energy: -1.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -90.990056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.990056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.990056 (E_RNA)
where:
Base-Base interactions energy: -30.432
where: short stacking energy: -30.432
Base-Backbone interact. energy: -0.353
local terms energy: -60.204295
where:
bonds (distance) C4'-P energy: -19.752
bonds (distance) P-C4' energy: -13.839
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -9.174
tors. eta vs tors. theta energy: -4.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -285.233384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.233384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.233384 (E_RNA)
where:
Base-Base interactions energy: -187.216
where: short stacking energy: -76.657
Base-Backbone interact. energy: -0.175
local terms energy: -97.843205
where:
bonds (distance) C4'-P energy: -17.698
bonds (distance) P-C4' energy: -17.697
flat angles C4'-P-C4' energy: -19.857
flat angles P-C4'-P energy: -14.865
tors. eta vs tors. theta energy: -27.727
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: 1
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -284.425928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.425928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.425928 (E_RNA)
where:
Base-Base interactions energy: -199.416
where: short stacking energy: -71.657
Base-Backbone interact. energy: -0.794
local terms energy: -84.215954
where:
bonds (distance) C4'-P energy: -16.590
bonds (distance) P-C4' energy: -15.112
flat angles C4'-P-C4' energy: -18.727
flat angles P-C4'-P energy: -11.198
tors. eta vs tors. theta energy: -22.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -279.818207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.818207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.818207 (E_RNA)
where:
Base-Base interactions energy: -187.743
where: short stacking energy: -70.231
Base-Backbone interact. energy: -0.653
local terms energy: -91.422030
where:
bonds (distance) C4'-P energy: -19.143
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -19.981
flat angles P-C4'-P energy: -10.643
tors. eta vs tors. theta energy: -23.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -278.007453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.007453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.007453 (E_RNA)
where:
Base-Base interactions energy: -186.665
where: short stacking energy: -71.594
Base-Backbone interact. energy: -0.085
local terms energy: -91.257360
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -21.206
flat angles C4'-P-C4' energy: -21.390
flat angles P-C4'-P energy: -13.390
tors. eta vs tors. theta energy: -21.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -274.560921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.560921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.560921 (E_RNA)
where:
Base-Base interactions energy: -182.528
where: short stacking energy: -70.331
Base-Backbone interact. energy: -0.226
local terms energy: -91.807162
where:
bonds (distance) C4'-P energy: -14.121
bonds (distance) P-C4' energy: -20.316
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -16.129
tors. eta vs tors. theta energy: -24.213
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: 2
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -247.698107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.698107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.698107 (E_RNA)
where:
Base-Base interactions energy: -156.684
where: short stacking energy: -66.680
Base-Backbone interact. energy: -0.228
local terms energy: -90.786147
where:
bonds (distance) C4'-P energy: -16.502
bonds (distance) P-C4' energy: -19.917
flat angles C4'-P-C4' energy: -19.414
flat angles P-C4'-P energy: -12.566
tors. eta vs tors. theta energy: -22.387
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: 3
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -261.640983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.640983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.640983 (E_RNA)
where:
Base-Base interactions energy: -178.536
where: short stacking energy: -77.331
Base-Backbone interact. energy: -0.170
local terms energy: -82.935450
where:
bonds (distance) C4'-P energy: -12.995
bonds (distance) P-C4' energy: -15.626
flat angles C4'-P-C4' energy: -15.598
flat angles P-C4'-P energy: -11.866
tors. eta vs tors. theta energy: -26.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -108.303453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.303453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.303453 (E_RNA)
where:
Base-Base interactions energy: -40.230
where: short stacking energy: -35.771
Base-Backbone interact. energy: -0.078
local terms energy: -67.995901
where:
bonds (distance) C4'-P energy: -15.988
bonds (distance) P-C4' energy: -20.296
flat angles C4'-P-C4' energy: -17.731
flat angles P-C4'-P energy: -7.971
tors. eta vs tors. theta energy: -6.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -98.661674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.661674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.661674 (E_RNA)
where:
Base-Base interactions energy: -33.891
where: short stacking energy: -28.217
Base-Backbone interact. energy: 0.681
local terms energy: -65.451354
where:
bonds (distance) C4'-P energy: -14.308
bonds (distance) P-C4' energy: -17.068
flat angles C4'-P-C4' energy: -16.685
flat angles P-C4'-P energy: -14.063
tors. eta vs tors. theta energy: -3.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -85.760020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.760020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.760020 (E_RNA)
where:
Base-Base interactions energy: -27.049
where: short stacking energy: -25.621
Base-Backbone interact. energy: -0.661
local terms energy: -58.049473
where:
bonds (distance) C4'-P energy: -16.813
bonds (distance) P-C4' energy: -19.175
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -5.636
tors. eta vs tors. theta energy: -1.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -289.150611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.150611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.150611 (E_RNA)
where:
Base-Base interactions energy: -197.292
where: short stacking energy: -81.628
Base-Backbone interact. energy: -1.267
local terms energy: -90.592291
where:
bonds (distance) C4'-P energy: -17.747
bonds (distance) P-C4' energy: -19.390
flat angles C4'-P-C4' energy: -16.159
flat angles P-C4'-P energy: -14.708
tors. eta vs tors. theta energy: -22.588
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: 5
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -285.358009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.358009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.358009 (E_RNA)
where:
Base-Base interactions energy: -185.565
where: short stacking energy: -80.543
Base-Backbone interact. energy: -1.498
local terms energy: -98.294558
where:
bonds (distance) C4'-P energy: -21.176
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -19.537
flat angles P-C4'-P energy: -15.197
tors. eta vs tors. theta energy: -24.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -283.508685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.508685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.508685 (E_RNA)
where:
Base-Base interactions energy: -188.150
where: short stacking energy: -79.699
Base-Backbone interact. energy: -0.085
local terms energy: -95.273807
where:
bonds (distance) C4'-P energy: -20.431
bonds (distance) P-C4' energy: -17.652
flat angles C4'-P-C4' energy: -15.238
flat angles P-C4'-P energy: -16.384
tors. eta vs tors. theta energy: -25.569
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: 7
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -276.318460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.318460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.318460 (E_RNA)
where:
Base-Base interactions energy: -198.579
where: short stacking energy: -76.781
Base-Backbone interact. energy: -1.604
local terms energy: -76.135358
where:
bonds (distance) C4'-P energy: -14.460
bonds (distance) P-C4' energy: -11.072
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -10.437
tors. eta vs tors. theta energy: -24.145
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: 9
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -264.728752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.728752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.728752 (E_RNA)
where:
Base-Base interactions energy: -179.068
where: short stacking energy: -71.092
Base-Backbone interact. energy: -0.009
local terms energy: -85.652040
where:
bonds (distance) C4'-P energy: -16.865
bonds (distance) P-C4' energy: -17.499
flat angles C4'-P-C4' energy: -14.606
flat angles P-C4'-P energy: -13.541
tors. eta vs tors. theta energy: -23.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -261.661313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.661313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.661313 (E_RNA)
where:
Base-Base interactions energy: -173.602
where: short stacking energy: -81.134
Base-Backbone interact. energy: -0.357
local terms energy: -87.702351
where:
bonds (distance) C4'-P energy: -16.303
bonds (distance) P-C4' energy: -11.830
flat angles C4'-P-C4' energy: -19.138
flat angles P-C4'-P energy: -15.114
tors. eta vs tors. theta energy: -25.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -252.849350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.849350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.849350 (E_RNA)
where:
Base-Base interactions energy: -168.063
where: short stacking energy: -67.374
Base-Backbone interact. energy: -0.100
local terms energy: -84.686040
where:
bonds (distance) C4'-P energy: -16.673
bonds (distance) P-C4' energy: -20.214
flat angles C4'-P-C4' energy: -18.350
flat angles P-C4'-P energy: -4.009
tors. eta vs tors. theta energy: -25.440
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: 4
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -98.115321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.115321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.115321 (E_RNA)
where:
Base-Base interactions energy: -38.112
where: short stacking energy: -38.112
Base-Backbone interact. energy: -0.065
local terms energy: -59.938849
where:
bonds (distance) C4'-P energy: -14.924
bonds (distance) P-C4' energy: -12.145
flat angles C4'-P-C4' energy: -16.922
flat angles P-C4'-P energy: -11.747
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: 9, replica: 8
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -89.970803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.970803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.970803 (E_RNA)
where:
Base-Base interactions energy: -35.210
where: short stacking energy: -35.210
Base-Backbone interact. energy: -0.049
local terms energy: -54.711772
where:
bonds (distance) C4'-P energy: -15.598
bonds (distance) P-C4' energy: -20.473
flat angles C4'-P-C4' energy: -18.144
flat angles P-C4'-P energy: -1.807
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: 10, replica: 6
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -84.047794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.047794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.047794 (E_RNA)
where:
Base-Base interactions energy: -29.057
where: short stacking energy: -21.231
Base-Backbone interact. energy: -0.997
local terms energy: -53.993839
where:
bonds (distance) C4'-P energy: -18.254
bonds (distance) P-C4' energy: -17.912
flat angles C4'-P-C4' energy: -13.086
flat angles P-C4'-P energy: -9.065
tors. eta vs tors. theta energy: 4.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -290.476136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.476136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.476136 (E_RNA)
where:
Base-Base interactions energy: -193.379
where: short stacking energy: -76.232
Base-Backbone interact. energy: -0.074
local terms energy: -97.023310
where:
bonds (distance) C4'-P energy: -17.893
bonds (distance) P-C4' energy: -21.419
flat angles C4'-P-C4' energy: -19.961
flat angles P-C4'-P energy: -14.896
tors. eta vs tors. theta energy: -22.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -287.315665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.315665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.315665 (E_RNA)
where:
Base-Base interactions energy: -189.153
where: short stacking energy: -85.130
Base-Backbone interact. energy: 0.878
local terms energy: -99.040156
where:
bonds (distance) C4'-P energy: -20.157
bonds (distance) P-C4' energy: -20.827
flat angles C4'-P-C4' energy: -19.713
flat angles P-C4'-P energy: -11.138
tors. eta vs tors. theta energy: -27.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -288.549474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.549474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.549474 (E_RNA)
where:
Base-Base interactions energy: -191.124
where: short stacking energy: -83.702
Base-Backbone interact. energy: -0.001
local terms energy: -97.424851
where:
bonds (distance) C4'-P energy: -20.306
bonds (distance) P-C4' energy: -19.980
flat angles C4'-P-C4' energy: -19.000
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -27.460
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: 7
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -277.281278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.281278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.281278 (E_RNA)
where:
Base-Base interactions energy: -194.300
where: short stacking energy: -74.970
Base-Backbone interact. energy: -0.397
local terms energy: -82.584599
where:
bonds (distance) C4'-P energy: -15.122
bonds (distance) P-C4' energy: -20.037
flat angles C4'-P-C4' energy: -18.434
flat angles P-C4'-P energy: -7.328
tors. eta vs tors. theta energy: -21.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -264.541335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.541335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.541335 (E_RNA)
where:
Base-Base interactions energy: -179.025
where: short stacking energy: -65.393
Base-Backbone interact. energy: -1.960
local terms energy: -83.555987
where:
bonds (distance) C4'-P energy: -15.698
bonds (distance) P-C4' energy: -21.401
flat angles C4'-P-C4' energy: -16.620
flat angles P-C4'-P energy: -8.833
tors. eta vs tors. theta energy: -21.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -261.407065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.407065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.407065 (E_RNA)
where:
Base-Base interactions energy: -173.575
where: short stacking energy: -76.073
Base-Backbone interact. energy: -0.280
local terms energy: -87.552551
where:
bonds (distance) C4'-P energy: -13.860
bonds (distance) P-C4' energy: -18.853
flat angles C4'-P-C4' energy: -17.161
flat angles P-C4'-P energy: -13.404
tors. eta vs tors. theta energy: -24.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -240.360494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.360494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.360494 (E_RNA)
where:
Base-Base interactions energy: -159.538
where: short stacking energy: -62.216
Base-Backbone interact. energy: -0.118
local terms energy: -80.703792
where:
bonds (distance) C4'-P energy: -17.826
bonds (distance) P-C4' energy: -19.742
flat angles C4'-P-C4' energy: -8.711
flat angles P-C4'-P energy: -13.952
tors. eta vs tors. theta energy: -20.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -109.803057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.803057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.803057 (E_RNA)
where:
Base-Base interactions energy: -45.978
where: short stacking energy: -39.503
Base-Backbone interact. energy: -0.249
local terms energy: -63.576727
where:
bonds (distance) C4'-P energy: -16.499
bonds (distance) P-C4' energy: -18.062
flat angles C4'-P-C4' energy: -13.023
flat angles P-C4'-P energy: -10.246
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: 9, replica: 6
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -86.848145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.848145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.848145 (E_RNA)
where:
Base-Base interactions energy: -34.342
where: short stacking energy: -32.682
Base-Backbone interact. energy: -0.542
local terms energy: -51.964136
where:
bonds (distance) C4'-P energy: -16.835
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -14.803
flat angles P-C4'-P energy: -4.383
tors. eta vs tors. theta energy: -0.262
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: 76
Temperature: 1.350000
Total energy: -84.429484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.429484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.429484 (E_RNA)
where:
Base-Base interactions energy: -21.082
where: short stacking energy: -21.082
Base-Backbone interact. energy: -0.289
local terms energy: -63.058828
where:
bonds (distance) C4'-P energy: -18.357
bonds (distance) P-C4' energy: -17.521
flat angles C4'-P-C4' energy: -15.147
flat angles P-C4'-P energy: -11.062
tors. eta vs tors. theta energy: -0.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -295.723631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.723631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.723631 (E_RNA)
where:
Base-Base interactions energy: -203.297
where: short stacking energy: -79.858
Base-Backbone interact. energy: -1.629
local terms energy: -90.797571
where:
bonds (distance) C4'-P energy: -13.777
bonds (distance) P-C4' energy: -19.535
flat angles C4'-P-C4' energy: -19.326
flat angles P-C4'-P energy: -13.868
tors. eta vs tors. theta energy: -24.293
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: 1
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -287.183251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.183251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.183251 (E_RNA)
where:
Base-Base interactions energy: -198.810
where: short stacking energy: -82.442
Base-Backbone interact. energy: -1.559
local terms energy: -86.814301
where:
bonds (distance) C4'-P energy: -17.521
bonds (distance) P-C4' energy: -15.075
flat angles C4'-P-C4' energy: -19.045
flat angles P-C4'-P energy: -10.156
tors. eta vs tors. theta energy: -25.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -284.364629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.364629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.364629 (E_RNA)
where:
Base-Base interactions energy: -192.146
where: short stacking energy: -78.018
Base-Backbone interact. energy: -0.109
local terms energy: -92.109427
where:
bonds (distance) C4'-P energy: -19.699
bonds (distance) P-C4' energy: -15.162
flat angles C4'-P-C4' energy: -21.287
flat angles P-C4'-P energy: -12.063
tors. eta vs tors. theta energy: -23.898
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: 77
Temperature: 1.050000
Total energy: -285.363488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.363488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.363488 (E_RNA)
where:
Base-Base interactions energy: -189.009
where: short stacking energy: -82.428
Base-Backbone interact. energy: -0.358
local terms energy: -95.996201
where:
bonds (distance) C4'-P energy: -18.455
bonds (distance) P-C4' energy: -18.119
flat angles C4'-P-C4' energy: -17.556
flat angles P-C4'-P energy: -12.699
tors. eta vs tors. theta energy: -29.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -276.036143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.036143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.036143 (E_RNA)
where:
Base-Base interactions energy: -185.583
where: short stacking energy: -82.974
Base-Backbone interact. energy: 1.127
local terms energy: -91.579965
where:
bonds (distance) C4'-P energy: -17.619
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -19.918
flat angles P-C4'-P energy: -12.064
tors. eta vs tors. theta energy: -25.198
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: 6, replica: 9
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -242.247884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.247884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.247884 (E_RNA)
where:
Base-Base interactions energy: -158.467
where: short stacking energy: -63.266
Base-Backbone interact. energy: -1.231
local terms energy: -82.549907
where:
bonds (distance) C4'-P energy: -15.886
bonds (distance) P-C4' energy: -16.857
flat angles C4'-P-C4' energy: -19.166
flat angles P-C4'-P energy: -13.904
tors. eta vs tors. theta energy: -16.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 77
Temperature: 1.200000
Total energy: -265.108462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.108462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.108462 (E_RNA)
where:
Base-Base interactions energy: -179.918
where: short stacking energy: -68.462
Base-Backbone interact. energy: -0.262
local terms energy: -84.928217
where:
bonds (distance) C4'-P energy: -15.175
bonds (distance) P-C4' energy: -16.934
flat angles C4'-P-C4' energy: -18.203
flat angles P-C4'-P energy: -10.013
tors. eta vs tors. theta energy: -24.603
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: 6
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -95.096351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.096351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.096351 (E_RNA)
where:
Base-Base interactions energy: -38.736
where: short stacking energy: -36.534
Base-Backbone interact. energy: -0.114
local terms energy: -56.247075
where:
bonds (distance) C4'-P energy: -8.588
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -12.138
flat angles P-C4'-P energy: -9.572
tors. eta vs tors. theta energy: -11.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -104.673939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.673939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.673939 (E_RNA)
where:
Base-Base interactions energy: -37.242
where: short stacking energy: -37.242
Base-Backbone interact. energy: 1.074
local terms energy: -68.505051
where:
bonds (distance) C4'-P energy: -16.401
bonds (distance) P-C4' energy: -14.797
flat angles C4'-P-C4' energy: -18.472
flat angles P-C4'-P energy: -9.935
tors. eta vs tors. theta energy: -8.901
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: 10, replica: 8
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -87.659975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.659975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.659975 (E_RNA)
where:
Base-Base interactions energy: -30.477
where: short stacking energy: -26.785
Base-Backbone interact. energy: -0.221
local terms energy: -56.962509
where:
bonds (distance) C4'-P energy: -13.553
bonds (distance) P-C4' energy: -12.695
flat angles C4'-P-C4' energy: -17.549
flat angles P-C4'-P energy: -12.903
tors. eta vs tors. theta energy: -0.262
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: 1
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -287.154830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.154830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.154830 (E_RNA)
where:
Base-Base interactions energy: -194.982
where: short stacking energy: -78.491
Base-Backbone interact. energy: -0.004
local terms energy: -92.168761
where:
bonds (distance) C4'-P energy: -20.982
bonds (distance) P-C4' energy: -19.979
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -9.324
tors. eta vs tors. theta energy: -26.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -293.676479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.676479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.676479 (E_RNA)
where:
Base-Base interactions energy: -200.154
where: short stacking energy: -85.912
Base-Backbone interact. energy: -1.135
local terms energy: -92.388053
where:
bonds (distance) C4'-P energy: -15.429
bonds (distance) P-C4' energy: -18.012
flat angles C4'-P-C4' energy: -20.216
flat angles P-C4'-P energy: -11.365
tors. eta vs tors. theta energy: -27.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -296.295553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.295553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.295553 (E_RNA)
where:
Base-Base interactions energy: -200.734
where: short stacking energy: -87.368
Base-Backbone interact. energy: -0.007
local terms energy: -95.554770
where:
bonds (distance) C4'-P energy: -19.688
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -20.848
flat angles P-C4'-P energy: -13.194
tors. eta vs tors. theta energy: -24.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -279.833780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.833780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.833780 (E_RNA)
where:
Base-Base interactions energy: -190.438
where: short stacking energy: -69.397
Base-Backbone interact. energy: -0.072
local terms energy: -89.324035
where:
bonds (distance) C4'-P energy: -18.791
bonds (distance) P-C4' energy: -18.552
flat angles C4'-P-C4' energy: -16.824
flat angles P-C4'-P energy: -15.838
tors. eta vs tors. theta energy: -19.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -278.702782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.702782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.702782 (E_RNA)
where:
Base-Base interactions energy: -186.812
where: short stacking energy: -74.379
Base-Backbone interact. energy: 0.091
local terms energy: -91.981786
where:
bonds (distance) C4'-P energy: -16.717
bonds (distance) P-C4' energy: -17.446
flat angles C4'-P-C4' energy: -20.254
flat angles P-C4'-P energy: -16.147
tors. eta vs tors. theta energy: -21.418
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: 6, replica: 9
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -240.126360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.126360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.126360 (E_RNA)
where:
Base-Base interactions energy: -169.769
where: short stacking energy: -63.751
Base-Backbone interact. energy: -0.311
local terms energy: -70.046849
where:
bonds (distance) C4'-P energy: -14.428
bonds (distance) P-C4' energy: -16.276
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -10.733
tors. eta vs tors. theta energy: -12.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 78
Temperature: 1.200000
Total energy: -260.584317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.584317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.584317 (E_RNA)
where:
Base-Base interactions energy: -173.829
where: short stacking energy: -66.727
Base-Backbone interact. energy: -0.025
local terms energy: -86.730170
where:
bonds (distance) C4'-P energy: -18.206
bonds (distance) P-C4' energy: -14.105
flat angles C4'-P-C4' energy: -19.313
flat angles P-C4'-P energy: -11.953
tors. eta vs tors. theta energy: -23.153
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: 6
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -100.669255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.669255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.669255 (E_RNA)
where:
Base-Base interactions energy: -34.545
where: short stacking energy: -32.976
Base-Backbone interact. energy: 0.191
local terms energy: -66.315376
where:
bonds (distance) C4'-P energy: -16.162
bonds (distance) P-C4' energy: -18.918
flat angles C4'-P-C4' energy: -11.268
flat angles P-C4'-P energy: -11.148
tors. eta vs tors. theta energy: -8.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -89.603051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.603051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.603051 (E_RNA)
where:
Base-Base interactions energy: -23.921
where: short stacking energy: -19.406
Base-Backbone interact. energy: 1.672
local terms energy: -67.354372
where:
bonds (distance) C4'-P energy: -19.454
bonds (distance) P-C4' energy: -13.696
flat angles C4'-P-C4' energy: -19.015
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -5.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -94.332511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.332511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.332511 (E_RNA)
where:
Base-Base interactions energy: -36.159
where: short stacking energy: -33.938
Base-Backbone interact. energy: -0.139
local terms energy: -58.033793
where:
bonds (distance) C4'-P energy: -14.982
bonds (distance) P-C4' energy: -19.362
flat angles C4'-P-C4' energy: -7.786
flat angles P-C4'-P energy: -8.591
tors. eta vs tors. theta energy: -7.313
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: 1
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -294.482792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.482792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.482792 (E_RNA)
where:
Base-Base interactions energy: -198.345
where: short stacking energy: -81.655
Base-Backbone interact. energy: 0.645
local terms energy: -96.783049
where:
bonds (distance) C4'-P energy: -18.186
bonds (distance) P-C4' energy: -18.396
flat angles C4'-P-C4' energy: -18.166
flat angles P-C4'-P energy: -15.491
tors. eta vs tors. theta energy: -26.544
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: 5
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -287.909220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.909220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.909220 (E_RNA)
where:
Base-Base interactions energy: -194.394
where: short stacking energy: -82.769
Base-Backbone interact. energy: -0.410
local terms energy: -93.105760
where:
bonds (distance) C4'-P energy: -15.086
bonds (distance) P-C4' energy: -14.175
flat angles C4'-P-C4' energy: -21.406
flat angles P-C4'-P energy: -12.686
tors. eta vs tors. theta energy: -29.753
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: 2
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -287.664845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.664845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.664845 (E_RNA)
where:
Base-Base interactions energy: -194.489
where: short stacking energy: -78.557
Base-Backbone interact. energy: 0.031
local terms energy: -93.206726
where:
bonds (distance) C4'-P energy: -19.545
bonds (distance) P-C4' energy: -17.898
flat angles C4'-P-C4' energy: -20.132
flat angles P-C4'-P energy: -9.753
tors. eta vs tors. theta energy: -25.879
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: 79
Temperature: 1.050000
Total energy: -273.834848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.834848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.834848 (E_RNA)
where:
Base-Base interactions energy: -185.183
where: short stacking energy: -77.915
Base-Backbone interact. energy: -0.030
local terms energy: -88.621660
where:
bonds (distance) C4'-P energy: -18.420
bonds (distance) P-C4' energy: -18.642
flat angles C4'-P-C4' energy: -15.966
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -25.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -267.428818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.428818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.428818 (E_RNA)
where:
Base-Base interactions energy: -172.532
where: short stacking energy: -69.678
Base-Backbone interact. energy: -0.086
local terms energy: -94.810474
where:
bonds (distance) C4'-P energy: -19.705
bonds (distance) P-C4' energy: -18.223
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -16.064
tors. eta vs tors. theta energy: -24.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -267.727759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.727759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.727759 (E_RNA)
where:
Base-Base interactions energy: -187.367
where: short stacking energy: -76.202
Base-Backbone interact. energy: -0.438
local terms energy: -79.922282
where:
bonds (distance) C4'-P energy: -13.339
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -11.544
tors. eta vs tors. theta energy: -22.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -241.748458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.748458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.748458 (E_RNA)
where:
Base-Base interactions energy: -168.316
where: short stacking energy: -65.145
Base-Backbone interact. energy: -1.404
local terms energy: -72.028739
where:
bonds (distance) C4'-P energy: -8.806
bonds (distance) P-C4' energy: -17.614
flat angles C4'-P-C4' energy: -16.767
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -17.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -99.892890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.892890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.892890 (E_RNA)
where:
Base-Base interactions energy: -41.326
where: short stacking energy: -35.885
Base-Backbone interact. energy: -0.122
local terms energy: -58.444386
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -12.320
flat angles C4'-P-C4' energy: -15.545
flat angles P-C4'-P energy: -10.766
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: 9, replica: 6
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -85.328097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.328097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.328097 (E_RNA)
where:
Base-Base interactions energy: -33.122
where: short stacking energy: -20.125
Base-Backbone interact. energy: -0.927
local terms energy: -51.278986
where:
bonds (distance) C4'-P energy: -9.849
bonds (distance) P-C4' energy: -19.963
flat angles C4'-P-C4' energy: -6.378
flat angles P-C4'-P energy: -14.996
tors. eta vs tors. theta energy: -0.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -79.363194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.363194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.363194 (E_RNA)
where:
Base-Base interactions energy: -20.617
where: short stacking energy: -20.617
Base-Backbone interact. energy: -0.312
local terms energy: -58.433939
where:
bonds (distance) C4'-P energy: -14.626
bonds (distance) P-C4' energy: -19.830
flat angles C4'-P-C4' energy: -13.081
flat angles P-C4'-P energy: -10.312
tors. eta vs tors. theta energy: -0.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -291.006569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.006569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.006569 (E_RNA)
where:
Base-Base interactions energy: -191.444
where: short stacking energy: -83.287
Base-Backbone interact. energy: -0.056
local terms energy: -99.507318
where:
bonds (distance) C4'-P energy: -19.304
bonds (distance) P-C4' energy: -19.878
flat angles C4'-P-C4' energy: -22.240
flat angles P-C4'-P energy: -12.510
tors. eta vs tors. theta energy: -25.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -284.280288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.280288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.280288 (E_RNA)
where:
Base-Base interactions energy: -190.707
where: short stacking energy: -79.470
Base-Backbone interact. energy: -0.034
local terms energy: -93.538381
where:
bonds (distance) C4'-P energy: -16.882
bonds (distance) P-C4' energy: -16.631
flat angles C4'-P-C4' energy: -19.082
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -29.395
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: 7
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -281.551533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.551533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.551533 (E_RNA)
where:
Base-Base interactions energy: -192.868
where: short stacking energy: -77.874
Base-Backbone interact. energy: -0.632
local terms energy: -88.052468
where:
bonds (distance) C4'-P energy: -18.153
bonds (distance) P-C4' energy: -18.012
flat angles C4'-P-C4' energy: -16.780
flat angles P-C4'-P energy: -9.940
tors. eta vs tors. theta energy: -25.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -275.279403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.279403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.279403 (E_RNA)
where:
Base-Base interactions energy: -188.801
where: short stacking energy: -83.224
Base-Backbone interact. energy: 0.099
local terms energy: -86.577608
where:
bonds (distance) C4'-P energy: -16.149
bonds (distance) P-C4' energy: -16.992
flat angles C4'-P-C4' energy: -18.412
flat angles P-C4'-P energy: -9.171
tors. eta vs tors. theta energy: -25.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -276.671798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.671798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.671798 (E_RNA)
where:
Base-Base interactions energy: -183.643
where: short stacking energy: -75.007
Base-Backbone interact. energy: 1.053
local terms energy: -94.082310
where:
bonds (distance) C4'-P energy: -20.099
bonds (distance) P-C4' energy: -15.630
flat angles C4'-P-C4' energy: -21.659
flat angles P-C4'-P energy: -14.856
tors. eta vs tors. theta energy: -21.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 80
Temperature: 1.150000
Total energy: -268.469363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.469363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.469363 (E_RNA)
where:
Base-Base interactions energy: -186.282
where: short stacking energy: -76.834
Base-Backbone interact. energy: -0.025
local terms energy: -82.162434
where:
bonds (distance) C4'-P energy: -17.909
bonds (distance) P-C4' energy: -12.637
flat angles C4'-P-C4' energy: -15.858
flat angles P-C4'-P energy: -11.391
tors. eta vs tors. theta energy: -24.366
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: 7, replica: 9
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -246.086836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.086836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.086836 (E_RNA)
where:
Base-Base interactions energy: -181.493
where: short stacking energy: -69.631
Base-Backbone interact. energy: 0.013
local terms energy: -64.607006
where:
bonds (distance) C4'-P energy: -17.032
bonds (distance) P-C4' energy: -11.742
flat angles C4'-P-C4' energy: -13.067
flat angles P-C4'-P energy: -7.333
tors. eta vs tors. theta energy: -15.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -93.597034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.597034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.597034 (E_RNA)
where:
Base-Base interactions energy: -38.362
where: short stacking energy: -34.208
Base-Backbone interact. energy: 2.576
local terms energy: -57.810812
where:
bonds (distance) C4'-P energy: -11.987
bonds (distance) P-C4' energy: -18.259
flat angles C4'-P-C4' energy: -18.894
flat angles P-C4'-P energy: -7.887
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: 9, replica: 6
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -96.843341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.843341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.843341 (E_RNA)
where:
Base-Base interactions energy: -31.352
where: short stacking energy: -31.352
Base-Backbone interact. energy: -0.133
local terms energy: -65.359169
where:
bonds (distance) C4'-P energy: -18.709
bonds (distance) P-C4' energy: -19.335
flat angles C4'-P-C4' energy: -13.452
flat angles P-C4'-P energy: -8.214
tors. eta vs tors. theta energy: -5.649
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: 8
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -97.690681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.690681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.690681 (E_RNA)
where:
Base-Base interactions energy: -33.421
where: short stacking energy: -25.291
Base-Backbone interact. energy: -0.120
local terms energy: -64.149475
where:
bonds (distance) C4'-P energy: -15.529
bonds (distance) P-C4' energy: -18.243
flat angles C4'-P-C4' energy: -17.672
flat angles P-C4'-P energy: -10.884
tors. eta vs tors. theta energy: -1.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -292.127685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.127685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.127685 (E_RNA)
where:
Base-Base interactions energy: -200.535
where: short stacking energy: -84.939
Base-Backbone interact. energy: -2.172
local terms energy: -89.420787
where:
bonds (distance) C4'-P energy: -19.847
bonds (distance) P-C4' energy: -12.960
flat angles C4'-P-C4' energy: -18.243
flat angles P-C4'-P energy: -13.689
tors. eta vs tors. theta energy: -24.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -286.764186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.764186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.764186 (E_RNA)
where:
Base-Base interactions energy: -192.914
where: short stacking energy: -83.451
Base-Backbone interact. energy: 0.504
local terms energy: -94.354027
where:
bonds (distance) C4'-P energy: -16.532
bonds (distance) P-C4' energy: -18.963
flat angles C4'-P-C4' energy: -19.570
flat angles P-C4'-P energy: -11.032
tors. eta vs tors. theta energy: -28.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -279.792760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.792760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.792760 (E_RNA)
where:
Base-Base interactions energy: -187.753
where: short stacking energy: -83.207
Base-Backbone interact. energy: -0.007
local terms energy: -92.033185
where:
bonds (distance) C4'-P energy: -18.835
bonds (distance) P-C4' energy: -17.137
flat angles C4'-P-C4' energy: -15.723
flat angles P-C4'-P energy: -12.962
tors. eta vs tors. theta energy: -27.376
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: 3
=====================================
Write number: 81
Temperature: 1.050000
Total energy: -271.417671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.417671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.417671 (E_RNA)
where:
Base-Base interactions energy: -189.128
where: short stacking energy: -75.328
Base-Backbone interact. energy: -0.189
local terms energy: -82.100421
where:
bonds (distance) C4'-P energy: -11.567
bonds (distance) P-C4' energy: -18.365
flat angles C4'-P-C4' energy: -20.191
flat angles P-C4'-P energy: -11.349
tors. eta vs tors. theta energy: -20.629
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: 2
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -276.341313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.341313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.341313 (E_RNA)
where:
Base-Base interactions energy: -182.112
where: short stacking energy: -69.481
Base-Backbone interact. energy: -1.197
local terms energy: -93.031974
where:
bonds (distance) C4'-P energy: -19.440
bonds (distance) P-C4' energy: -18.765
flat angles C4'-P-C4' energy: -21.603
flat angles P-C4'-P energy: -15.187
tors. eta vs tors. theta energy: -18.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -272.481692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.481692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.481692 (E_RNA)
where:
Base-Base interactions energy: -193.476
where: short stacking energy: -79.018
Base-Backbone interact. energy: -0.468
local terms energy: -78.537346
where:
bonds (distance) C4'-P energy: -17.089
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -19.769
flat angles P-C4'-P energy: -5.379
tors. eta vs tors. theta energy: -22.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -265.831973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.831973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.831973 (E_RNA)
where:
Base-Base interactions energy: -180.740
where: short stacking energy: -67.019
Base-Backbone interact. energy: -0.138
local terms energy: -84.953986
where:
bonds (distance) C4'-P energy: -14.560
bonds (distance) P-C4' energy: -18.368
flat angles C4'-P-C4' energy: -20.049
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: -21.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -98.512021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.512021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.512021 (E_RNA)
where:
Base-Base interactions energy: -39.571
where: short stacking energy: -35.491
Base-Backbone interact. energy: -0.049
local terms energy: -58.891938
where:
bonds (distance) C4'-P energy: -20.133
bonds (distance) P-C4' energy: -17.045
flat angles C4'-P-C4' energy: -9.260
flat angles P-C4'-P energy: -12.935
tors. eta vs tors. theta energy: 0.481
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -99.364132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.364132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.364132 (E_RNA)
where:
Base-Base interactions energy: -41.045
where: short stacking energy: -30.098
Base-Backbone interact. energy: -0.240
local terms energy: -58.078747
where:
bonds (distance) C4'-P energy: -9.296
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -16.436
flat angles P-C4'-P energy: -9.571
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: 10, replica: 8
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -93.815152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.815152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.815152 (E_RNA)
where:
Base-Base interactions energy: -42.468
where: short stacking energy: -33.905
Base-Backbone interact. energy: -0.237
local terms energy: -51.110141
where:
bonds (distance) C4'-P energy: -17.332
bonds (distance) P-C4' energy: -8.895
flat angles C4'-P-C4' energy: -18.766
flat angles P-C4'-P energy: -8.654
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: 1, replica: 5
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -294.628235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.628235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.628235 (E_RNA)
where:
Base-Base interactions energy: -201.929
where: short stacking energy: -85.001
Base-Backbone interact. energy: -0.564
local terms energy: -92.135559
where:
bonds (distance) C4'-P energy: -20.852
bonds (distance) P-C4' energy: -18.690
flat angles C4'-P-C4' energy: -18.324
flat angles P-C4'-P energy: -10.834
tors. eta vs tors. theta energy: -23.435
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: 7
=====================================
Write number: 82
Temperature: 0.950000
Total energy: -282.303237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.303237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.303237 (E_RNA)
where:
Base-Base interactions energy: -192.088
where: short stacking energy: -81.097
Base-Backbone interact. energy: -0.497
local terms energy: -89.718317
where:
bonds (distance) C4'-P energy: -14.473
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -20.532
flat angles P-C4'-P energy: -12.706
tors. eta vs tors. theta energy: -23.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -272.660314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.660314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.660314 (E_RNA)
where:
Base-Base interactions energy: -187.051
where: short stacking energy: -71.090
Base-Backbone interact. energy: -0.235
local terms energy: -85.375194
where:
bonds (distance) C4'-P energy: -16.212
bonds (distance) P-C4' energy: -18.142
flat angles C4'-P-C4' energy: -17.466
flat angles P-C4'-P energy: -12.542
tors. eta vs tors. theta energy: -21.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -278.219019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.219019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.219019 (E_RNA)
where:
Base-Base interactions energy: -185.069
where: short stacking energy: -79.202
Base-Backbone interact. energy: -1.625
local terms energy: -91.524501
where:
bonds (distance) C4'-P energy: -16.162
bonds (distance) P-C4' energy: -18.822
flat angles C4'-P-C4' energy: -17.597
flat angles P-C4'-P energy: -14.153
tors. eta vs tors. theta energy: -24.790
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: 2
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -270.771538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.771538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.771538 (E_RNA)
where:
Base-Base interactions energy: -186.205
where: short stacking energy: -75.785
Base-Backbone interact. energy: 0.626
local terms energy: -85.191833
where:
bonds (distance) C4'-P energy: -17.101
bonds (distance) P-C4' energy: -17.278
flat angles C4'-P-C4' energy: -20.862
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: -20.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -267.364712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.364712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.364712 (E_RNA)
where:
Base-Base interactions energy: -177.737
where: short stacking energy: -65.704
Base-Backbone interact. energy: -0.687
local terms energy: -88.941037
where:
bonds (distance) C4'-P energy: -19.478
bonds (distance) P-C4' energy: -17.583
flat angles C4'-P-C4' energy: -16.353
flat angles P-C4'-P energy: -9.353
tors. eta vs tors. theta energy: -26.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -262.661555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.661555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.661555 (E_RNA)
where:
Base-Base interactions energy: -173.689
where: short stacking energy: -78.183
Base-Backbone interact. energy: -0.881
local terms energy: -88.091099
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -17.297
flat angles C4'-P-C4' energy: -20.817
flat angles P-C4'-P energy: -11.757
tors. eta vs tors. theta energy: -23.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -101.420813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.420813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.420813 (E_RNA)
where:
Base-Base interactions energy: -38.439
where: short stacking energy: -24.187
Base-Backbone interact. energy: -0.327
local terms energy: -62.654361
where:
bonds (distance) C4'-P energy: -13.235
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -17.587
flat angles P-C4'-P energy: -8.273
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: 9, replica: 8
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -90.626806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.626806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.626806 (E_RNA)
where:
Base-Base interactions energy: -40.732
where: short stacking energy: -30.387
Base-Backbone interact. energy: 0.073
local terms energy: -49.968042
where:
bonds (distance) C4'-P energy: -17.006
bonds (distance) P-C4' energy: -19.548
flat angles C4'-P-C4' energy: -8.463
flat angles P-C4'-P energy: -4.861
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: 10, replica: 4
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -87.880447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.880447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.880447 (E_RNA)
where:
Base-Base interactions energy: -26.029
where: short stacking energy: -25.349
Base-Backbone interact. energy: -0.531
local terms energy: -61.320836
where:
bonds (distance) C4'-P energy: -17.570
bonds (distance) P-C4' energy: -17.678
flat angles C4'-P-C4' energy: -15.289
flat angles P-C4'-P energy: -9.134
tors. eta vs tors. theta energy: -1.649
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: 5
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -290.209637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.209637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.209637 (E_RNA)
where:
Base-Base interactions energy: -196.376
where: short stacking energy: -73.924
Base-Backbone interact. energy: -0.196
local terms energy: -93.637448
where:
bonds (distance) C4'-P energy: -19.533
bonds (distance) P-C4' energy: -17.032
flat angles C4'-P-C4' energy: -20.142
flat angles P-C4'-P energy: -11.886
tors. eta vs tors. theta energy: -25.044
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: 3
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -289.734941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.734941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.734941 (E_RNA)
where:
Base-Base interactions energy: -195.683
where: short stacking energy: -77.414
Base-Backbone interact. energy: -1.155
local terms energy: -92.896114
where:
bonds (distance) C4'-P energy: -17.268
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -22.196
flat angles P-C4'-P energy: -8.808
tors. eta vs tors. theta energy: -27.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -280.979011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.979011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.979011 (E_RNA)
where:
Base-Base interactions energy: -198.198
where: short stacking energy: -75.160
Base-Backbone interact. energy: -0.072
local terms energy: -82.708842
where:
bonds (distance) C4'-P energy: -15.559
bonds (distance) P-C4' energy: -15.317
flat angles C4'-P-C4' energy: -20.486
flat angles P-C4'-P energy: -7.813
tors. eta vs tors. theta energy: -23.533
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: 83
Temperature: 1.050000
Total energy: -273.818242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.818242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.818242 (E_RNA)
where:
Base-Base interactions energy: -186.103
where: short stacking energy: -78.067
Base-Backbone interact. energy: -1.425
local terms energy: -86.289973
where:
bonds (distance) C4'-P energy: -17.421
bonds (distance) P-C4' energy: -15.411
flat angles C4'-P-C4' energy: -16.322
flat angles P-C4'-P energy: -11.606
tors. eta vs tors. theta energy: -25.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -272.977619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.977619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.977619 (E_RNA)
where:
Base-Base interactions energy: -184.406
where: short stacking energy: -77.155
Base-Backbone interact. energy: -0.149
local terms energy: -88.422768
where:
bonds (distance) C4'-P energy: -16.651
bonds (distance) P-C4' energy: -19.601
flat angles C4'-P-C4' energy: -17.953
flat angles P-C4'-P energy: -12.197
tors. eta vs tors. theta energy: -22.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -265.226591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.226591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.226591 (E_RNA)
where:
Base-Base interactions energy: -179.671
where: short stacking energy: -81.131
Base-Backbone interact. energy: -0.010
local terms energy: -85.546187
where:
bonds (distance) C4'-P energy: -17.334
bonds (distance) P-C4' energy: -13.554
flat angles C4'-P-C4' energy: -18.118
flat angles P-C4'-P energy: -14.124
tors. eta vs tors. theta energy: -22.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -250.519382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.519382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.519382 (E_RNA)
where:
Base-Base interactions energy: -170.363
where: short stacking energy: -75.006
Base-Backbone interact. energy: -0.199
local terms energy: -79.957607
where:
bonds (distance) C4'-P energy: -10.876
bonds (distance) P-C4' energy: -15.231
flat angles C4'-P-C4' energy: -19.295
flat angles P-C4'-P energy: -12.064
tors. eta vs tors. theta energy: -22.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -109.807304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.807304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.807304 (E_RNA)
where:
Base-Base interactions energy: -44.373
where: short stacking energy: -43.718
Base-Backbone interact. energy: -0.041
local terms energy: -65.393572
where:
bonds (distance) C4'-P energy: -18.221
bonds (distance) P-C4' energy: -19.943
flat angles C4'-P-C4' energy: -15.887
flat angles P-C4'-P energy: -6.936
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: 9, replica: 6
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -102.314260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.314260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.314260 (E_RNA)
where:
Base-Base interactions energy: -48.869
where: short stacking energy: -27.447
Base-Backbone interact. energy: -0.747
local terms energy: -52.698558
where:
bonds (distance) C4'-P energy: -16.676
bonds (distance) P-C4' energy: -5.536
flat angles C4'-P-C4' energy: -19.067
flat angles P-C4'-P energy: -11.987
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: 10, replica: 4
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -86.057532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.057532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.057532 (E_RNA)
where:
Base-Base interactions energy: -26.878
where: short stacking energy: -25.036
Base-Backbone interact. energy: -0.284
local terms energy: -58.895320
where:
bonds (distance) C4'-P energy: -17.267
bonds (distance) P-C4' energy: -17.698
flat angles C4'-P-C4' energy: -6.918
flat angles P-C4'-P energy: -14.511
tors. eta vs tors. theta energy: -2.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -294.271932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.271932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.271932 (E_RNA)
where:
Base-Base interactions energy: -202.121
where: short stacking energy: -87.300
Base-Backbone interact. energy: -0.591
local terms energy: -91.560223
where:
bonds (distance) C4'-P energy: -19.205
bonds (distance) P-C4' energy: -15.363
flat angles C4'-P-C4' energy: -18.193
flat angles P-C4'-P energy: -11.614
tors. eta vs tors. theta energy: -27.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -289.627111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.627111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.627111 (E_RNA)
where:
Base-Base interactions energy: -196.127
where: short stacking energy: -84.954
Base-Backbone interact. energy: 0.568
local terms energy: -94.067699
where:
bonds (distance) C4'-P energy: -12.547
bonds (distance) P-C4' energy: -18.223
flat angles C4'-P-C4' energy: -21.001
flat angles P-C4'-P energy: -14.855
tors. eta vs tors. theta energy: -27.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -273.392390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.392390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.392390 (E_RNA)
where:
Base-Base interactions energy: -191.294
where: short stacking energy: -76.772
Base-Backbone interact. energy: -0.311
local terms energy: -81.787735
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -10.325
flat angles C4'-P-C4' energy: -19.106
flat angles P-C4'-P energy: -15.422
tors. eta vs tors. theta energy: -21.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -280.279640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.279640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.279640 (E_RNA)
where:
Base-Base interactions energy: -193.049
where: short stacking energy: -80.815
Base-Backbone interact. energy: -0.376
local terms energy: -86.854839
where:
bonds (distance) C4'-P energy: -15.810
bonds (distance) P-C4' energy: -17.562
flat angles C4'-P-C4' energy: -19.826
flat angles P-C4'-P energy: -11.502
tors. eta vs tors. theta energy: -22.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -273.965316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.965316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.965316 (E_RNA)
where:
Base-Base interactions energy: -175.694
where: short stacking energy: -68.479
Base-Backbone interact. energy: -0.123
local terms energy: -98.148212
where:
bonds (distance) C4'-P energy: -19.508
bonds (distance) P-C4' energy: -16.283
flat angles C4'-P-C4' energy: -21.275
flat angles P-C4'-P energy: -16.041
tors. eta vs tors. theta energy: -25.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -257.870204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.870204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.870204 (E_RNA)
where:
Base-Base interactions energy: -181.059
where: short stacking energy: -75.674
Base-Backbone interact. energy: -1.162
local terms energy: -75.649702
where:
bonds (distance) C4'-P energy: -12.351
bonds (distance) P-C4' energy: -16.559
flat angles C4'-P-C4' energy: -17.726
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -17.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -250.579185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.579185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.579185 (E_RNA)
where:
Base-Base interactions energy: -173.342
where: short stacking energy: -73.422
Base-Backbone interact. energy: 0.584
local terms energy: -77.821356
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -17.104
flat angles C4'-P-C4' energy: -14.494
flat angles P-C4'-P energy: -13.710
tors. eta vs tors. theta energy: -20.373
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: 8
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -117.470636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.470636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.470636 (E_RNA)
where:
Base-Base interactions energy: -50.287
where: short stacking energy: -46.680
Base-Backbone interact. energy: -0.216
local terms energy: -66.967214
where:
bonds (distance) C4'-P energy: -12.461
bonds (distance) P-C4' energy: -19.340
flat angles C4'-P-C4' energy: -18.560
flat angles P-C4'-P energy: -9.551
tors. eta vs tors. theta energy: -7.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -100.309002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.309002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.309002 (E_RNA)
where:
Base-Base interactions energy: -37.442
where: short stacking energy: -37.015
Base-Backbone interact. energy: -0.481
local terms energy: -62.386428
where:
bonds (distance) C4'-P energy: -15.480
bonds (distance) P-C4' energy: -16.299
flat angles C4'-P-C4' energy: -12.787
flat angles P-C4'-P energy: -11.915
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: 10, replica: 6
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -94.994312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.994312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.994312 (E_RNA)
where:
Base-Base interactions energy: -36.231
where: short stacking energy: -36.231
Base-Backbone interact. energy: -0.347
local terms energy: -58.416610
where:
bonds (distance) C4'-P energy: -14.109
bonds (distance) P-C4' energy: -15.134
flat angles C4'-P-C4' energy: -17.713
flat angles P-C4'-P energy: -7.661
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: 1, replica: 3
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -290.122722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.122722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.122722 (E_RNA)
where:
Base-Base interactions energy: -193.174
where: short stacking energy: -77.333
Base-Backbone interact. energy: 0.979
local terms energy: -97.928409
where:
bonds (distance) C4'-P energy: -21.498
bonds (distance) P-C4' energy: -14.822
flat angles C4'-P-C4' energy: -19.425
flat angles P-C4'-P energy: -15.841
tors. eta vs tors. theta energy: -26.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -294.094843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.094843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.094843 (E_RNA)
where:
Base-Base interactions energy: -200.828
where: short stacking energy: -85.645
Base-Backbone interact. energy: -0.705
local terms energy: -92.561690
where:
bonds (distance) C4'-P energy: -18.788
bonds (distance) P-C4' energy: -17.771
flat angles C4'-P-C4' energy: -20.219
flat angles P-C4'-P energy: -7.333
tors. eta vs tors. theta energy: -28.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -283.729769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.729769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.729769 (E_RNA)
where:
Base-Base interactions energy: -197.720
where: short stacking energy: -80.747
Base-Backbone interact. energy: -0.008
local terms energy: -86.002280
where:
bonds (distance) C4'-P energy: -14.387
bonds (distance) P-C4' energy: -11.680
flat angles C4'-P-C4' energy: -19.142
flat angles P-C4'-P energy: -13.527
tors. eta vs tors. theta energy: -27.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -276.276709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.276709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.276709 (E_RNA)
where:
Base-Base interactions energy: -188.484
where: short stacking energy: -70.204
Base-Backbone interact. energy: -0.174
local terms energy: -87.618335
where:
bonds (distance) C4'-P energy: -18.386
bonds (distance) P-C4' energy: -17.207
flat angles C4'-P-C4' energy: -16.614
flat angles P-C4'-P energy: -12.018
tors. eta vs tors. theta energy: -23.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -271.548537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.548537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.548537 (E_RNA)
where:
Base-Base interactions energy: -185.963
where: short stacking energy: -77.326
Base-Backbone interact. energy: -0.231
local terms energy: -85.354681
where:
bonds (distance) C4'-P energy: -14.203
bonds (distance) P-C4' energy: -17.787
flat angles C4'-P-C4' energy: -20.082
flat angles P-C4'-P energy: -11.223
tors. eta vs tors. theta energy: -22.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -241.546446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.546446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.546446 (E_RNA)
where:
Base-Base interactions energy: -158.458
where: short stacking energy: -62.494
Base-Backbone interact. energy: -1.266
local terms energy: -81.823203
where:
bonds (distance) C4'-P energy: -13.210
bonds (distance) P-C4' energy: -20.135
flat angles C4'-P-C4' energy: -16.520
flat angles P-C4'-P energy: -13.438
tors. eta vs tors. theta energy: -18.521
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: 7, replica: 9
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -264.318556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.318556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.318556 (E_RNA)
where:
Base-Base interactions energy: -181.301
where: short stacking energy: -75.224
Base-Backbone interact. energy: -0.471
local terms energy: -82.547324
where:
bonds (distance) C4'-P energy: -13.745
bonds (distance) P-C4' energy: -10.285
flat angles C4'-P-C4' energy: -19.034
flat angles P-C4'-P energy: -12.691
tors. eta vs tors. theta energy: -26.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -99.266008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.266008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.266008 (E_RNA)
where:
Base-Base interactions energy: -41.764
where: short stacking energy: -41.764
Base-Backbone interact. energy: 0.776
local terms energy: -58.278090
where:
bonds (distance) C4'-P energy: -17.178
bonds (distance) P-C4' energy: -16.892
flat angles C4'-P-C4' energy: -10.854
flat angles P-C4'-P energy: -5.496
tors. eta vs tors. theta energy: -7.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -94.129327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.129327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.129327 (E_RNA)
where:
Base-Base interactions energy: -37.843
where: short stacking energy: -36.086
Base-Backbone interact. energy: -0.680
local terms energy: -55.607141
where:
bonds (distance) C4'-P energy: -20.595
bonds (distance) P-C4' energy: -17.218
flat angles C4'-P-C4' energy: -4.055
flat angles P-C4'-P energy: -8.710
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: 85
Temperature: 1.350000
Total energy: -85.037785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.037785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.037785 (E_RNA)
where:
Base-Base interactions energy: -30.182
where: short stacking energy: -26.760
Base-Backbone interact. energy: -0.174
local terms energy: -54.682379
where:
bonds (distance) C4'-P energy: -14.175
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -14.802
flat angles P-C4'-P energy: -9.314
tors. eta vs tors. theta energy: -1.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -283.564984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.564984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.564984 (E_RNA)
where:
Base-Base interactions energy: -195.074
where: short stacking energy: -87.657
Base-Backbone interact. energy: -0.001
local terms energy: -88.489638
where:
bonds (distance) C4'-P energy: -17.334
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -19.057
flat angles P-C4'-P energy: -9.224
tors. eta vs tors. theta energy: -25.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -294.677608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.677608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.677608 (E_RNA)
where:
Base-Base interactions energy: -198.908
where: short stacking energy: -74.992
Base-Backbone interact. energy: -0.561
local terms energy: -95.208068
where:
bonds (distance) C4'-P energy: -19.793
bonds (distance) P-C4' energy: -21.886
flat angles C4'-P-C4' energy: -17.342
flat angles P-C4'-P energy: -13.926
tors. eta vs tors. theta energy: -22.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -279.905906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.905906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.905906 (E_RNA)
where:
Base-Base interactions energy: -189.340
where: short stacking energy: -83.926
Base-Backbone interact. energy: -0.241
local terms energy: -90.324871
where:
bonds (distance) C4'-P energy: -14.933
bonds (distance) P-C4' energy: -18.068
flat angles C4'-P-C4' energy: -17.414
flat angles P-C4'-P energy: -12.310
tors. eta vs tors. theta energy: -27.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -274.375487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.375487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.375487 (E_RNA)
where:
Base-Base interactions energy: -179.344
where: short stacking energy: -73.582
Base-Backbone interact. energy: -0.776
local terms energy: -94.255463
where:
bonds (distance) C4'-P energy: -18.742
bonds (distance) P-C4' energy: -20.424
flat angles C4'-P-C4' energy: -16.325
flat angles P-C4'-P energy: -14.694
tors. eta vs tors. theta energy: -24.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -270.632508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.632508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.632508 (E_RNA)
where:
Base-Base interactions energy: -185.922
where: short stacking energy: -79.568
Base-Backbone interact. energy: -0.873
local terms energy: -83.837486
where:
bonds (distance) C4'-P energy: -12.332
bonds (distance) P-C4' energy: -20.521
flat angles C4'-P-C4' energy: -16.538
flat angles P-C4'-P energy: -13.222
tors. eta vs tors. theta energy: -21.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -245.900635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.900635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.900635 (E_RNA)
where:
Base-Base interactions energy: -162.502
where: short stacking energy: -71.401
Base-Backbone interact. energy: -0.418
local terms energy: -82.981008
where:
bonds (distance) C4'-P energy: -17.359
bonds (distance) P-C4' energy: -18.085
flat angles C4'-P-C4' energy: -15.534
flat angles P-C4'-P energy: -10.308
tors. eta vs tors. theta energy: -21.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -268.225383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.225383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.225383 (E_RNA)
where:
Base-Base interactions energy: -180.279
where: short stacking energy: -80.672
Base-Backbone interact. energy: -0.414
local terms energy: -87.532563
where:
bonds (distance) C4'-P energy: -16.054
bonds (distance) P-C4' energy: -17.444
flat angles C4'-P-C4' energy: -17.097
flat angles P-C4'-P energy: -12.101
tors. eta vs tors. theta energy: -24.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -114.331569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.331569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.331569 (E_RNA)
where:
Base-Base interactions energy: -34.760
where: short stacking energy: -34.760
Base-Backbone interact. energy: -0.375
local terms energy: -79.196882
where:
bonds (distance) C4'-P energy: -20.432
bonds (distance) P-C4' energy: -19.075
flat angles C4'-P-C4' energy: -19.516
flat angles P-C4'-P energy: -15.422
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: 9, replica: 6
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -85.765439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.765439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.765439 (E_RNA)
where:
Base-Base interactions energy: -22.041
where: short stacking energy: -18.018
Base-Backbone interact. energy: -0.614
local terms energy: -63.110753
where:
bonds (distance) C4'-P energy: -15.495
bonds (distance) P-C4' energy: -20.915
flat angles C4'-P-C4' energy: -16.174
flat angles P-C4'-P energy: -12.459
tors. eta vs tors. theta energy: 1.932
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: 10, replica: 4
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -89.450109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.450109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.450109 (E_RNA)
where:
Base-Base interactions energy: -34.329
where: short stacking energy: -29.296
Base-Backbone interact. energy: -0.126
local terms energy: -54.994794
where:
bonds (distance) C4'-P energy: -15.127
bonds (distance) P-C4' energy: -12.136
flat angles C4'-P-C4' energy: -10.693
flat angles P-C4'-P energy: -8.497
tors. eta vs tors. theta energy: -8.542
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: 1, replica: 2
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -295.692355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.692355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.692355 (E_RNA)
where:
Base-Base interactions energy: -194.291
where: short stacking energy: -87.837
Base-Backbone interact. energy: -0.001
local terms energy: -101.400614
where:
bonds (distance) C4'-P energy: -21.072
bonds (distance) P-C4' energy: -18.808
flat angles C4'-P-C4' energy: -20.408
flat angles P-C4'-P energy: -15.212
tors. eta vs tors. theta energy: -25.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -288.306337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.306337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.306337 (E_RNA)
where:
Base-Base interactions energy: -200.265
where: short stacking energy: -81.761
Base-Backbone interact. energy: -1.229
local terms energy: -86.812698
where:
bonds (distance) C4'-P energy: -14.215
bonds (distance) P-C4' energy: -16.801
flat angles C4'-P-C4' energy: -17.605
flat angles P-C4'-P energy: -13.838
tors. eta vs tors. theta energy: -24.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -280.867176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.867176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.867176 (E_RNA)
where:
Base-Base interactions energy: -193.629
where: short stacking energy: -78.215
Base-Backbone interact. energy: -2.176
local terms energy: -85.062591
where:
bonds (distance) C4'-P energy: -11.749
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -20.606
flat angles P-C4'-P energy: -14.003
tors. eta vs tors. theta energy: -21.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -275.197982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.197982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.197982 (E_RNA)
where:
Base-Base interactions energy: -195.643
where: short stacking energy: -79.774
Base-Backbone interact. energy: -0.180
local terms energy: -79.374734
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -16.007
flat angles C4'-P-C4' energy: -15.136
flat angles P-C4'-P energy: -13.501
tors. eta vs tors. theta energy: -19.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -267.829583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.829583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.829583 (E_RNA)
where:
Base-Base interactions energy: -186.408
where: short stacking energy: -79.305
Base-Backbone interact. energy: -0.490
local terms energy: -80.931691
where:
bonds (distance) C4'-P energy: -17.843
bonds (distance) P-C4' energy: -15.139
flat angles C4'-P-C4' energy: -14.226
flat angles P-C4'-P energy: -11.033
tors. eta vs tors. theta energy: -22.692
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: 87
Temperature: 1.150000
Total energy: -258.671662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.671662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.671662 (E_RNA)
where:
Base-Base interactions energy: -167.855
where: short stacking energy: -77.135
Base-Backbone interact. energy: -0.316
local terms energy: -90.500830
where:
bonds (distance) C4'-P energy: -12.188
bonds (distance) P-C4' energy: -21.098
flat angles C4'-P-C4' energy: -20.815
flat angles P-C4'-P energy: -11.449
tors. eta vs tors. theta energy: -24.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -265.955113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.955113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.955113 (E_RNA)
where:
Base-Base interactions energy: -180.976
where: short stacking energy: -76.036
Base-Backbone interact. energy: -1.902
local terms energy: -83.077657
where:
bonds (distance) C4'-P energy: -14.662
bonds (distance) P-C4' energy: -12.682
flat angles C4'-P-C4' energy: -15.999
flat angles P-C4'-P energy: -16.505
tors. eta vs tors. theta energy: -23.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -105.514270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.514270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.514270 (E_RNA)
where:
Base-Base interactions energy: -38.213
where: short stacking energy: -35.483
Base-Backbone interact. energy: 0.202
local terms energy: -67.503809
where:
bonds (distance) C4'-P energy: -18.324
bonds (distance) P-C4' energy: -18.946
flat angles C4'-P-C4' energy: -10.538
flat angles P-C4'-P energy: -11.964
tors. eta vs tors. theta energy: -7.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -101.043119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.043119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.043119 (E_RNA)
where:
Base-Base interactions energy: -45.489
where: short stacking energy: -39.288
Base-Backbone interact. energy: -0.168
local terms energy: -55.385753
where:
bonds (distance) C4'-P energy: -12.804
bonds (distance) P-C4' energy: -15.432
flat angles C4'-P-C4' energy: -14.393
flat angles P-C4'-P energy: -13.233
tors. eta vs tors. theta energy: 0.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -95.343838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.343838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.343838 (E_RNA)
where:
Base-Base interactions energy: -42.503
where: short stacking energy: -24.024
Base-Backbone interact. energy: -0.011
local terms energy: -52.829207
where:
bonds (distance) C4'-P energy: -17.494
bonds (distance) P-C4' energy: -19.764
flat angles C4'-P-C4' energy: -9.050
flat angles P-C4'-P energy: -10.482
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: 1, replica: 3
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -299.044726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.044726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.044726 (E_RNA)
where:
Base-Base interactions energy: -200.363
where: short stacking energy: -84.270
Base-Backbone interact. energy: -0.893
local terms energy: -97.789389
where:
bonds (distance) C4'-P energy: -19.896
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -19.169
flat angles P-C4'-P energy: -14.210
tors. eta vs tors. theta energy: -27.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -285.355156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.355156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.355156 (E_RNA)
where:
Base-Base interactions energy: -185.076
where: short stacking energy: -78.589
Base-Backbone interact. energy: -0.706
local terms energy: -99.572811
where:
bonds (distance) C4'-P energy: -18.178
bonds (distance) P-C4' energy: -20.421
flat angles C4'-P-C4' energy: -18.612
flat angles P-C4'-P energy: -14.590
tors. eta vs tors. theta energy: -27.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -276.301204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.301204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.301204 (E_RNA)
where:
Base-Base interactions energy: -183.185
where: short stacking energy: -77.088
Base-Backbone interact. energy: -0.122
local terms energy: -92.994633
where:
bonds (distance) C4'-P energy: -13.049
bonds (distance) P-C4' energy: -18.195
flat angles C4'-P-C4' energy: -20.594
flat angles P-C4'-P energy: -18.314
tors. eta vs tors. theta energy: -22.844
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: 10
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -280.906297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.906297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.906297 (E_RNA)
where:
Base-Base interactions energy: -182.108
where: short stacking energy: -79.365
Base-Backbone interact. energy: -0.188
local terms energy: -98.610106
where:
bonds (distance) C4'-P energy: -18.985
bonds (distance) P-C4' energy: -21.011
flat angles C4'-P-C4' energy: -18.612
flat angles P-C4'-P energy: -14.527
tors. eta vs tors. theta energy: -25.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -266.645248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.645248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.645248 (E_RNA)
where:
Base-Base interactions energy: -177.591
where: short stacking energy: -75.872
Base-Backbone interact. energy: -0.092
local terms energy: -88.962354
where:
bonds (distance) C4'-P energy: -13.588
bonds (distance) P-C4' energy: -18.229
flat angles C4'-P-C4' energy: -16.842
flat angles P-C4'-P energy: -16.410
tors. eta vs tors. theta energy: -23.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -268.896685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.896685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.896685 (E_RNA)
where:
Base-Base interactions energy: -177.267
where: short stacking energy: -81.233
Base-Backbone interact. energy: -0.014
local terms energy: -91.616223
where:
bonds (distance) C4'-P energy: -20.369
bonds (distance) P-C4' energy: -18.805
flat angles C4'-P-C4' energy: -17.534
flat angles P-C4'-P energy: -9.903
tors. eta vs tors. theta energy: -25.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -269.752491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.752491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.752491 (E_RNA)
where:
Base-Base interactions energy: -179.241
where: short stacking energy: -71.380
Base-Backbone interact. energy: -0.219
local terms energy: -90.292816
where:
bonds (distance) C4'-P energy: -12.616
bonds (distance) P-C4' energy: -18.229
flat angles C4'-P-C4' energy: -18.990
flat angles P-C4'-P energy: -16.456
tors. eta vs tors. theta energy: -24.002
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: 8
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -102.212603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.212603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.212603 (E_RNA)
where:
Base-Base interactions energy: -51.287
where: short stacking energy: -39.815
Base-Backbone interact. energy: 2.022
local terms energy: -52.947949
where:
bonds (distance) C4'-P energy: -11.992
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -9.740
flat angles P-C4'-P energy: -11.372
tors. eta vs tors. theta energy: -3.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -97.038691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.038691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.038691 (E_RNA)
where:
Base-Base interactions energy: -32.613
where: short stacking energy: -23.297
Base-Backbone interact. energy: -0.309
local terms energy: -64.116838
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -21.550
flat angles C4'-P-C4' energy: -17.431
flat angles P-C4'-P energy: -12.245
tors. eta vs tors. theta energy: 2.396
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: 88
Temperature: 1.350000
Total energy: -81.198920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.198920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.198920 (E_RNA)
where:
Base-Base interactions energy: -22.900
where: short stacking energy: -19.218
Base-Backbone interact. energy: 0.612
local terms energy: -58.910483
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -18.029
flat angles C4'-P-C4' energy: -14.989
flat angles P-C4'-P energy: -8.535
tors. eta vs tors. theta energy: -4.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -298.848842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.848842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.848842 (E_RNA)
where:
Base-Base interactions energy: -202.614
where: short stacking energy: -78.979
Base-Backbone interact. energy: -0.174
local terms energy: -96.060125
where:
bonds (distance) C4'-P energy: -19.006
bonds (distance) P-C4' energy: -19.418
flat angles C4'-P-C4' energy: -22.814
flat angles P-C4'-P energy: -9.538
tors. eta vs tors. theta energy: -25.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -286.348533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.348533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.348533 (E_RNA)
where:
Base-Base interactions energy: -191.794
where: short stacking energy: -77.931
Base-Backbone interact. energy: -0.099
local terms energy: -94.455355
where:
bonds (distance) C4'-P energy: -18.886
bonds (distance) P-C4' energy: -16.158
flat angles C4'-P-C4' energy: -20.396
flat angles P-C4'-P energy: -13.982
tors. eta vs tors. theta energy: -25.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -270.533196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.533196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.533196 (E_RNA)
where:
Base-Base interactions energy: -180.134
where: short stacking energy: -79.058
Base-Backbone interact. energy: 0.258
local terms energy: -90.657460
where:
bonds (distance) C4'-P energy: -16.274
bonds (distance) P-C4' energy: -18.358
flat angles C4'-P-C4' energy: -21.146
flat angles P-C4'-P energy: -11.316
tors. eta vs tors. theta energy: -23.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -272.550900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.550900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.550900 (E_RNA)
where:
Base-Base interactions energy: -181.124
where: short stacking energy: -74.458
Base-Backbone interact. energy: -0.599
local terms energy: -90.828279
where:
bonds (distance) C4'-P energy: -14.766
bonds (distance) P-C4' energy: -20.898
flat angles C4'-P-C4' energy: -19.000
flat angles P-C4'-P energy: -13.147
tors. eta vs tors. theta energy: -23.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -271.839650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.839650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.839650 (E_RNA)
where:
Base-Base interactions energy: -183.334
where: short stacking energy: -70.936
Base-Backbone interact. energy: -0.605
local terms energy: -87.900377
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -17.404
flat angles C4'-P-C4' energy: -21.059
flat angles P-C4'-P energy: -11.199
tors. eta vs tors. theta energy: -23.543
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: 89
Temperature: 1.150000
Total energy: -258.449734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.449734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.449734 (E_RNA)
where:
Base-Base interactions energy: -164.168
where: short stacking energy: -76.620
Base-Backbone interact. energy: -0.233
local terms energy: -94.048477
where:
bonds (distance) C4'-P energy: -15.086
bonds (distance) P-C4' energy: -20.470
flat angles C4'-P-C4' energy: -19.704
flat angles P-C4'-P energy: -12.465
tors. eta vs tors. theta energy: -26.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -258.730394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.730394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.730394 (E_RNA)
where:
Base-Base interactions energy: -172.019
where: short stacking energy: -69.617
Base-Backbone interact. energy: 0.299
local terms energy: -87.010335
where:
bonds (distance) C4'-P energy: -21.055
bonds (distance) P-C4' energy: -14.718
flat angles C4'-P-C4' energy: -17.019
flat angles P-C4'-P energy: -12.220
tors. eta vs tors. theta energy: -21.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -109.360750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.360750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.360750 (E_RNA)
where:
Base-Base interactions energy: -45.084
where: short stacking energy: -38.561
Base-Backbone interact. energy: -0.038
local terms energy: -64.239522
where:
bonds (distance) C4'-P energy: -21.146
bonds (distance) P-C4' energy: -11.962
flat angles C4'-P-C4' energy: -18.041
flat angles P-C4'-P energy: -7.397
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: 9, replica: 8
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -96.323773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.323773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.323773 (E_RNA)
where:
Base-Base interactions energy: -46.233
where: short stacking energy: -29.255
Base-Backbone interact. energy: -0.271
local terms energy: -49.820253
where:
bonds (distance) C4'-P energy: -16.453
bonds (distance) P-C4' energy: -15.203
flat angles C4'-P-C4' energy: -13.663
flat angles P-C4'-P energy: -4.919
tors. eta vs tors. theta energy: 0.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -90.517846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.517846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.517846 (E_RNA)
where:
Base-Base interactions energy: -40.797
where: short stacking energy: -40.897
Base-Backbone interact. energy: -0.282
local terms energy: -49.439073
where:
bonds (distance) C4'-P energy: -10.561
bonds (distance) P-C4' energy: -13.892
flat angles C4'-P-C4' energy: -10.124
flat angles P-C4'-P energy: -8.787
tors. eta vs tors. theta energy: -6.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -290.707475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.707475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.707475 (E_RNA)
where:
Base-Base interactions energy: -195.887
where: short stacking energy: -86.374
Base-Backbone interact. energy: -0.050
local terms energy: -94.771222
where:
bonds (distance) C4'-P energy: -18.265
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -19.914
flat angles P-C4'-P energy: -13.406
tors. eta vs tors. theta energy: -25.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -289.275140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.275140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.275140 (E_RNA)
where:
Base-Base interactions energy: -190.519
where: short stacking energy: -80.672
Base-Backbone interact. energy: -0.106
local terms energy: -98.649417
where:
bonds (distance) C4'-P energy: -19.751
bonds (distance) P-C4' energy: -17.500
flat angles C4'-P-C4' energy: -19.663
flat angles P-C4'-P energy: -17.815
tors. eta vs tors. theta energy: -23.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -280.886536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.886536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.886536 (E_RNA)
where:
Base-Base interactions energy: -194.110
where: short stacking energy: -87.455
Base-Backbone interact. energy: 2.314
local terms energy: -89.090242
where:
bonds (distance) C4'-P energy: -16.372
bonds (distance) P-C4' energy: -17.050
flat angles C4'-P-C4' energy: -16.683
flat angles P-C4'-P energy: -15.485
tors. eta vs tors. theta energy: -23.500
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: 7
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -273.261646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.261646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.261646 (E_RNA)
where:
Base-Base interactions energy: -190.436
where: short stacking energy: -76.799
Base-Backbone interact. energy: -0.053
local terms energy: -82.772678
where:
bonds (distance) C4'-P energy: -17.485
bonds (distance) P-C4' energy: -19.700
flat angles C4'-P-C4' energy: -15.587
flat angles P-C4'-P energy: -6.704
tors. eta vs tors. theta energy: -23.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -266.439319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.439319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.439319 (E_RNA)
where:
Base-Base interactions energy: -182.181
where: short stacking energy: -68.736
Base-Backbone interact. energy: -0.601
local terms energy: -83.657228
where:
bonds (distance) C4'-P energy: -13.652
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -18.773
flat angles P-C4'-P energy: -12.838
tors. eta vs tors. theta energy: -21.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -268.051849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.051849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.051849 (E_RNA)
where:
Base-Base interactions energy: -187.295
where: short stacking energy: -75.312
Base-Backbone interact. energy: 1.078
local terms energy: -81.834943
where:
bonds (distance) C4'-P energy: -16.230
bonds (distance) P-C4' energy: -18.827
flat angles C4'-P-C4' energy: -16.932
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -18.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -251.832565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.832565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.832565 (E_RNA)
where:
Base-Base interactions energy: -170.118
where: short stacking energy: -74.021
Base-Backbone interact. energy: -0.137
local terms energy: -81.576989
where:
bonds (distance) C4'-P energy: -14.958
bonds (distance) P-C4' energy: -16.978
flat angles C4'-P-C4' energy: -15.207
flat angles P-C4'-P energy: -10.773
tors. eta vs tors. theta energy: -23.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -116.239482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.239482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.239482 (E_RNA)
where:
Base-Base interactions energy: -46.694
where: short stacking energy: -41.178
Base-Backbone interact. energy: -0.261
local terms energy: -69.284178
where:
bonds (distance) C4'-P energy: -11.273
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -14.235
flat angles P-C4'-P energy: -13.279
tors. eta vs tors. theta energy: -14.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -98.002423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.002423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.002423 (E_RNA)
where:
Base-Base interactions energy: -32.592
where: short stacking energy: -27.780
Base-Backbone interact. energy: -0.324
local terms energy: -65.087138
where:
bonds (distance) C4'-P energy: -15.198
bonds (distance) P-C4' energy: -17.438
flat angles C4'-P-C4' energy: -12.815
flat angles P-C4'-P energy: -12.963
tors. eta vs tors. theta energy: -6.673
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: 8
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -84.038147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.038147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.038147 (E_RNA)
where:
Base-Base interactions energy: -21.415
where: short stacking energy: -20.075
Base-Backbone interact. energy: -0.258
local terms energy: -62.364691
where:
bonds (distance) C4'-P energy: -19.870
bonds (distance) P-C4' energy: -19.283
flat angles C4'-P-C4' energy: -13.817
flat angles P-C4'-P energy: -13.170
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: 2
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -291.085102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.085102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.085102 (E_RNA)
where:
Base-Base interactions energy: -195.982
where: short stacking energy: -84.952
Base-Backbone interact. energy: 1.407
local terms energy: -96.510384
where:
bonds (distance) C4'-P energy: -18.501
bonds (distance) P-C4' energy: -18.409
flat angles C4'-P-C4' energy: -20.907
flat angles P-C4'-P energy: -14.326
tors. eta vs tors. theta energy: -24.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -292.640789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.640789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.640789 (E_RNA)
where:
Base-Base interactions energy: -192.549
where: short stacking energy: -79.351
Base-Backbone interact. energy: -1.284
local terms energy: -98.807981
where:
bonds (distance) C4'-P energy: -14.837
bonds (distance) P-C4' energy: -21.933
flat angles C4'-P-C4' energy: -20.948
flat angles P-C4'-P energy: -14.476
tors. eta vs tors. theta energy: -26.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -277.971384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.971384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.971384 (E_RNA)
where:
Base-Base interactions energy: -189.675
where: short stacking energy: -72.467
Base-Backbone interact. energy: -0.542
local terms energy: -87.753864
where:
bonds (distance) C4'-P energy: -20.504
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -18.077
flat angles P-C4'-P energy: -11.812
tors. eta vs tors. theta energy: -23.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -281.537060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.537060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.537060 (E_RNA)
where:
Base-Base interactions energy: -195.822
where: short stacking energy: -77.401
Base-Backbone interact. energy: -0.829
local terms energy: -84.886723
where:
bonds (distance) C4'-P energy: -12.850
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -16.083
flat angles P-C4'-P energy: -13.425
tors. eta vs tors. theta energy: -27.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -272.878225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.878225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.878225 (E_RNA)
where:
Base-Base interactions energy: -187.176
where: short stacking energy: -75.437
Base-Backbone interact. energy: -0.944
local terms energy: -84.758457
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -15.432
flat angles P-C4'-P energy: -16.565
tors. eta vs tors. theta energy: -22.729
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: 9
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -267.131766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.131766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.131766 (E_RNA)
where:
Base-Base interactions energy: -181.192
where: short stacking energy: -73.492
Base-Backbone interact. energy: -1.950
local terms energy: -83.990096
where:
bonds (distance) C4'-P energy: -19.852
bonds (distance) P-C4' energy: -16.988
flat angles C4'-P-C4' energy: -18.887
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: -17.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -253.365349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.365349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.365349 (E_RNA)
where:
Base-Base interactions energy: -163.494
where: short stacking energy: -68.613
Base-Backbone interact. energy: -0.122
local terms energy: -89.749733
where:
bonds (distance) C4'-P energy: -17.109
bonds (distance) P-C4' energy: -22.470
flat angles C4'-P-C4' energy: -16.871
flat angles P-C4'-P energy: -12.918
tors. eta vs tors. theta energy: -20.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -101.711333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.711333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.711333 (E_RNA)
where:
Base-Base interactions energy: -36.938
where: short stacking energy: -27.949
Base-Backbone interact. energy: -0.282
local terms energy: -64.491150
where:
bonds (distance) C4'-P energy: -18.825
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -10.756
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: 4
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -90.220567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.220567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.220567 (E_RNA)
where:
Base-Base interactions energy: -34.175
where: short stacking energy: -32.887
Base-Backbone interact. energy: -0.088
local terms energy: -55.957194
where:
bonds (distance) C4'-P energy: -19.597
bonds (distance) P-C4' energy: -12.213
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -5.848
tors. eta vs tors. theta energy: -4.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -82.723227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.723227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.723227 (E_RNA)
where:
Base-Base interactions energy: -31.042
where: short stacking energy: -26.840
Base-Backbone interact. energy: -0.375
local terms energy: -51.306327
where:
bonds (distance) C4'-P energy: -16.167
bonds (distance) P-C4' energy: -19.256
flat angles C4'-P-C4' energy: -13.156
flat angles P-C4'-P energy: -2.712
tors. eta vs tors. theta energy: -0.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -295.677027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.677027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.677027 (E_RNA)
where:
Base-Base interactions energy: -198.477
where: short stacking energy: -81.281
Base-Backbone interact. energy: -0.235
local terms energy: -96.964738
where:
bonds (distance) C4'-P energy: -16.878
bonds (distance) P-C4' energy: -17.700
flat angles C4'-P-C4' energy: -20.719
flat angles P-C4'-P energy: -16.421
tors. eta vs tors. theta energy: -25.246
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: 3
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -293.150233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.150233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.150233 (E_RNA)
where:
Base-Base interactions energy: -199.835
where: short stacking energy: -84.276
Base-Backbone interact. energy: -0.001
local terms energy: -93.314075
where:
bonds (distance) C4'-P energy: -16.472
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -21.993
flat angles P-C4'-P energy: -11.688
tors. eta vs tors. theta energy: -25.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -289.693050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.693050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.693050 (E_RNA)
where:
Base-Base interactions energy: -194.003
where: short stacking energy: -74.808
Base-Backbone interact. energy: 0.876
local terms energy: -96.566029
where:
bonds (distance) C4'-P energy: -19.118
bonds (distance) P-C4' energy: -18.675
flat angles C4'-P-C4' energy: -18.612
flat angles P-C4'-P energy: -14.765
tors. eta vs tors. theta energy: -25.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -279.836122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.836122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.836122 (E_RNA)
where:
Base-Base interactions energy: -193.983
where: short stacking energy: -74.872
Base-Backbone interact. energy: -0.243
local terms energy: -85.609799
where:
bonds (distance) C4'-P energy: -15.194
bonds (distance) P-C4' energy: -15.639
flat angles C4'-P-C4' energy: -18.622
flat angles P-C4'-P energy: -8.048
tors. eta vs tors. theta energy: -28.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -278.220732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.220732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.220732 (E_RNA)
where:
Base-Base interactions energy: -197.054
where: short stacking energy: -84.566
Base-Backbone interact. energy: -0.728
local terms energy: -80.438656
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -13.452
flat angles C4'-P-C4' energy: -14.722
flat angles P-C4'-P energy: -13.502
tors. eta vs tors. theta energy: -23.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -265.731505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.731505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.731505 (E_RNA)
where:
Base-Base interactions energy: -181.925
where: short stacking energy: -69.272
Base-Backbone interact. energy: -0.381
local terms energy: -83.425499
where:
bonds (distance) C4'-P energy: -15.074
bonds (distance) P-C4' energy: -14.123
flat angles C4'-P-C4' energy: -18.474
flat angles P-C4'-P energy: -14.968
tors. eta vs tors. theta energy: -20.787
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: 5
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -240.839574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.839574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.839574 (E_RNA)
where:
Base-Base interactions energy: -158.294
where: short stacking energy: -67.136
Base-Backbone interact. energy: -0.127
local terms energy: -82.418257
where:
bonds (distance) C4'-P energy: -18.861
bonds (distance) P-C4' energy: -18.169
flat angles C4'-P-C4' energy: -17.442
flat angles P-C4'-P energy: -6.809
tors. eta vs tors. theta energy: -21.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -96.609252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.609252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.609252 (E_RNA)
where:
Base-Base interactions energy: -32.241
where: short stacking energy: -30.243
Base-Backbone interact. energy: 0.168
local terms energy: -64.537130
where:
bonds (distance) C4'-P energy: -18.534
bonds (distance) P-C4' energy: -17.372
flat angles C4'-P-C4' energy: -16.509
flat angles P-C4'-P energy: -10.803
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: 9, replica: 8
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -96.482192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.482192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.482192 (E_RNA)
where:
Base-Base interactions energy: -36.915
where: short stacking energy: -22.487
Base-Backbone interact. energy: -0.220
local terms energy: -59.347635
where:
bonds (distance) C4'-P energy: -17.006
bonds (distance) P-C4' energy: -12.149
flat angles C4'-P-C4' energy: -15.653
flat angles P-C4'-P energy: -10.242
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: 4
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -95.959415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.959415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.959415 (E_RNA)
where:
Base-Base interactions energy: -31.897
where: short stacking energy: -29.150
Base-Backbone interact. energy: -0.008
local terms energy: -64.053825
where:
bonds (distance) C4'-P energy: -12.977
bonds (distance) P-C4' energy: -17.844
flat angles C4'-P-C4' energy: -14.967
flat angles P-C4'-P energy: -10.773
tors. eta vs tors. theta energy: -7.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -296.182291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.182291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.182291 (E_RNA)
where:
Base-Base interactions energy: -198.731
where: short stacking energy: -82.755
Base-Backbone interact. energy: -0.043
local terms energy: -97.408355
where:
bonds (distance) C4'-P energy: -14.722
bonds (distance) P-C4' energy: -18.696
flat angles C4'-P-C4' energy: -19.985
flat angles P-C4'-P energy: -16.210
tors. eta vs tors. theta energy: -27.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -290.156144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.156144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.156144 (E_RNA)
where:
Base-Base interactions energy: -198.466
where: short stacking energy: -76.906
Base-Backbone interact. energy: -0.652
local terms energy: -91.038286
where:
bonds (distance) C4'-P energy: -16.228
bonds (distance) P-C4' energy: -20.020
flat angles C4'-P-C4' energy: -21.874
flat angles P-C4'-P energy: -9.776
tors. eta vs tors. theta energy: -23.141
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: 3
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -282.266117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.266117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.266117 (E_RNA)
where:
Base-Base interactions energy: -195.027
where: short stacking energy: -77.301
Base-Backbone interact. energy: 1.348
local terms energy: -88.587473
where:
bonds (distance) C4'-P energy: -21.143
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -19.459
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: -21.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -258.499011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.499011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.499011 (E_RNA)
where:
Base-Base interactions energy: -175.765
where: short stacking energy: -73.613
Base-Backbone interact. energy: 0.257
local terms energy: -82.991449
where:
bonds (distance) C4'-P energy: -11.953
bonds (distance) P-C4' energy: -15.875
flat angles C4'-P-C4' energy: -15.787
flat angles P-C4'-P energy: -13.818
tors. eta vs tors. theta energy: -25.558
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: 1
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -278.454584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.454584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.454584 (E_RNA)
where:
Base-Base interactions energy: -190.448
where: short stacking energy: -86.641
Base-Backbone interact. energy: -0.647
local terms energy: -87.359143
where:
bonds (distance) C4'-P energy: -14.340
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -17.566
flat angles P-C4'-P energy: -14.165
tors. eta vs tors. theta energy: -25.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -276.158629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.158629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.158629 (E_RNA)
where:
Base-Base interactions energy: -191.340
where: short stacking energy: -73.289
Base-Backbone interact. energy: -1.377
local terms energy: -83.441013
where:
bonds (distance) C4'-P energy: -19.148
bonds (distance) P-C4' energy: -13.871
flat angles C4'-P-C4' energy: -20.094
flat angles P-C4'-P energy: -11.229
tors. eta vs tors. theta energy: -19.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 93
Temperature: 1.200000
Total energy: -216.553131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.553131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.553131 (E_RNA)
where:
Base-Base interactions energy: -147.227
where: short stacking energy: -61.646
Base-Backbone interact. energy: -0.911
local terms energy: -68.414797
where:
bonds (distance) C4'-P energy: -13.571
bonds (distance) P-C4' energy: -12.484
flat angles C4'-P-C4' energy: -16.802
flat angles P-C4'-P energy: -7.883
tors. eta vs tors. theta energy: -17.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -97.253077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.253077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.253077 (E_RNA)
where:
Base-Base interactions energy: -47.572
where: short stacking energy: -41.862
Base-Backbone interact. energy: -0.144
local terms energy: -49.537341
where:
bonds (distance) C4'-P energy: -10.552
bonds (distance) P-C4' energy: -15.026
flat angles C4'-P-C4' energy: -11.065
flat angles P-C4'-P energy: -3.458
tors. eta vs tors. theta energy: -9.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -94.834647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.834647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.834647 (E_RNA)
where:
Base-Base interactions energy: -36.702
where: short stacking energy: -27.434
Base-Backbone interact. energy: -0.214
local terms energy: -57.918745
where:
bonds (distance) C4'-P energy: -18.012
bonds (distance) P-C4' energy: -17.604
flat angles C4'-P-C4' energy: -14.576
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: 2.133
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: 10, replica: 4
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -80.426222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.426222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.426222 (E_RNA)
where:
Base-Base interactions energy: -31.047
where: short stacking energy: -23.591
Base-Backbone interact. energy: -0.040
local terms energy: -49.338809
where:
bonds (distance) C4'-P energy: -15.404
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -14.039
flat angles P-C4'-P energy: -14.467
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: 1, replica: 10
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -292.555529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.555529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.555529 (E_RNA)
where:
Base-Base interactions energy: -199.708
where: short stacking energy: -80.854
Base-Backbone interact. energy: -0.119
local terms energy: -92.728627
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -18.259
flat angles C4'-P-C4' energy: -18.611
flat angles P-C4'-P energy: -16.602
tors. eta vs tors. theta energy: -22.152
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: 2, replica: 2
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -295.060380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.060380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.060380 (E_RNA)
where:
Base-Base interactions energy: -197.673
where: short stacking energy: -80.828
Base-Backbone interact. energy: -1.681
local terms energy: -95.706343
where:
bonds (distance) C4'-P energy: -17.862
bonds (distance) P-C4' energy: -18.561
flat angles C4'-P-C4' energy: -21.978
flat angles P-C4'-P energy: -13.114
tors. eta vs tors. theta energy: -24.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -283.143888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.143888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.143888 (E_RNA)
where:
Base-Base interactions energy: -199.347
where: short stacking energy: -81.388
Base-Backbone interact. energy: -0.088
local terms energy: -83.708307
where:
bonds (distance) C4'-P energy: -13.856
bonds (distance) P-C4' energy: -16.842
flat angles C4'-P-C4' energy: -20.516
flat angles P-C4'-P energy: -6.173
tors. eta vs tors. theta energy: -26.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -277.204825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.204825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.204825 (E_RNA)
where:
Base-Base interactions energy: -187.853
where: short stacking energy: -82.922
Base-Backbone interact. energy: -0.122
local terms energy: -89.229416
where:
bonds (distance) C4'-P energy: -13.434
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -19.682
flat angles P-C4'-P energy: -14.138
tors. eta vs tors. theta energy: -25.338
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: 9
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -278.744320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.744320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.744320 (E_RNA)
where:
Base-Base interactions energy: -193.553
where: short stacking energy: -74.393
Base-Backbone interact. energy: -0.116
local terms energy: -85.075348
where:
bonds (distance) C4'-P energy: -17.512
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -13.629
flat angles P-C4'-P energy: -15.032
tors. eta vs tors. theta energy: -21.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -265.660428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.660428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.660428 (E_RNA)
where:
Base-Base interactions energy: -176.096
where: short stacking energy: -74.153
Base-Backbone interact. energy: -0.247
local terms energy: -89.316973
where:
bonds (distance) C4'-P energy: -16.373
bonds (distance) P-C4' energy: -19.990
flat angles C4'-P-C4' energy: -17.486
flat angles P-C4'-P energy: -11.055
tors. eta vs tors. theta energy: -24.412
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: 5
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -207.768546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.768546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.768546 (E_RNA)
where:
Base-Base interactions energy: -145.467
where: short stacking energy: -51.967
Base-Backbone interact. energy: -0.396
local terms energy: -61.905705
where:
bonds (distance) C4'-P energy: -19.648
bonds (distance) P-C4' energy: -6.719
flat angles C4'-P-C4' energy: -15.045
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -10.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -102.178322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.178322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.178322 (E_RNA)
where:
Base-Base interactions energy: -38.579
where: short stacking energy: -26.026
Base-Backbone interact. energy: 2.885
local terms energy: -66.484110
where:
bonds (distance) C4'-P energy: -16.542
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -17.046
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -4.678
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: 4
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -92.987829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.987829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.987829 (E_RNA)
where:
Base-Base interactions energy: -33.971
where: short stacking energy: -32.587
Base-Backbone interact. energy: 1.091
local terms energy: -60.107928
where:
bonds (distance) C4'-P energy: -17.499
bonds (distance) P-C4' energy: -12.659
flat angles C4'-P-C4' energy: -14.995
flat angles P-C4'-P energy: -15.615
tors. eta vs tors. theta energy: 0.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -89.866239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.866239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.866239 (E_RNA)
where:
Base-Base interactions energy: -34.602
where: short stacking energy: -27.126
Base-Backbone interact. energy: -0.094
local terms energy: -55.169836
where:
bonds (distance) C4'-P energy: -17.135
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -13.183
flat angles P-C4'-P energy: -9.474
tors. eta vs tors. theta energy: 0.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -283.855125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.855125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.855125 (E_RNA)
where:
Base-Base interactions energy: -193.003
where: short stacking energy: -78.649
Base-Backbone interact. energy: -0.467
local terms energy: -90.385413
where:
bonds (distance) C4'-P energy: -17.579
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -19.575
flat angles P-C4'-P energy: -15.413
tors. eta vs tors. theta energy: -21.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -284.013998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.013998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.013998 (E_RNA)
where:
Base-Base interactions energy: -187.392
where: short stacking energy: -81.449
Base-Backbone interact. energy: -0.109
local terms energy: -96.513107
where:
bonds (distance) C4'-P energy: -18.187
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -22.540
flat angles P-C4'-P energy: -13.869
tors. eta vs tors. theta energy: -27.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -288.514594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.514594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.514594 (E_RNA)
where:
Base-Base interactions energy: -183.463
where: short stacking energy: -82.974
Base-Backbone interact. energy: -0.601
local terms energy: -104.450232
where:
bonds (distance) C4'-P energy: -19.032
bonds (distance) P-C4' energy: -22.592
flat angles C4'-P-C4' energy: -21.102
flat angles P-C4'-P energy: -13.872
tors. eta vs tors. theta energy: -27.852
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: 95
Temperature: 1.050000
Total energy: -272.431429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.431429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.431429 (E_RNA)
where:
Base-Base interactions energy: -191.958
where: short stacking energy: -79.744
Base-Backbone interact. energy: -0.246
local terms energy: -80.227246
where:
bonds (distance) C4'-P energy: -11.049
bonds (distance) P-C4' energy: -16.545
flat angles C4'-P-C4' energy: -17.452
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -24.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -268.967506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.967506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.967506 (E_RNA)
where:
Base-Base interactions energy: -177.053
where: short stacking energy: -77.825
Base-Backbone interact. energy: -0.004
local terms energy: -91.910314
where:
bonds (distance) C4'-P energy: -17.003
bonds (distance) P-C4' energy: -18.930
flat angles C4'-P-C4' energy: -16.675
flat angles P-C4'-P energy: -13.865
tors. eta vs tors. theta energy: -25.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -236.525011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.525011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.525011 (E_RNA)
where:
Base-Base interactions energy: -152.384
where: short stacking energy: -71.478
Base-Backbone interact. energy: -1.504
local terms energy: -82.636416
where:
bonds (distance) C4'-P energy: -19.838
bonds (distance) P-C4' energy: -18.576
flat angles C4'-P-C4' energy: -13.410
flat angles P-C4'-P energy: -10.343
tors. eta vs tors. theta energy: -20.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -262.732495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.732495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.732495 (E_RNA)
where:
Base-Base interactions energy: -181.025
where: short stacking energy: -76.602
Base-Backbone interact. energy: -0.025
local terms energy: -81.682163
where:
bonds (distance) C4'-P energy: -12.412
bonds (distance) P-C4' energy: -18.159
flat angles C4'-P-C4' energy: -18.232
flat angles P-C4'-P energy: -11.308
tors. eta vs tors. theta energy: -21.570
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: 4
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -104.204517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.204517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.204517 (E_RNA)
where:
Base-Base interactions energy: -45.953
where: short stacking energy: -28.579
Base-Backbone interact. energy: 0.621
local terms energy: -58.872630
where:
bonds (distance) C4'-P energy: -10.745
bonds (distance) P-C4' energy: -16.288
flat angles C4'-P-C4' energy: -17.552
flat angles P-C4'-P energy: -11.554
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: 9, replica: 8
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -95.932960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.932960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.932960 (E_RNA)
where:
Base-Base interactions energy: -38.253
where: short stacking energy: -38.253
Base-Backbone interact. energy: 1.204
local terms energy: -58.884125
where:
bonds (distance) C4'-P energy: -17.524
bonds (distance) P-C4' energy: -17.667
flat angles C4'-P-C4' energy: -17.410
flat angles P-C4'-P energy: -5.162
tors. eta vs tors. theta energy: -1.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -93.167465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.167465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.167465 (E_RNA)
where:
Base-Base interactions energy: -30.660
where: short stacking energy: -30.660
Base-Backbone interact. energy: -0.250
local terms energy: -62.257307
where:
bonds (distance) C4'-P energy: -19.262
bonds (distance) P-C4' energy: -16.804
flat angles C4'-P-C4' energy: -12.541
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -2.804
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: 1, replica: 10
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -281.931969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.931969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.931969 (E_RNA)
where:
Base-Base interactions energy: -191.931
where: short stacking energy: -83.752
Base-Backbone interact. energy: -0.479
local terms energy: -89.522118
where:
bonds (distance) C4'-P energy: -15.537
bonds (distance) P-C4' energy: -16.335
flat angles C4'-P-C4' energy: -20.600
flat angles P-C4'-P energy: -14.022
tors. eta vs tors. theta energy: -23.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -293.221498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.221498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.221498 (E_RNA)
where:
Base-Base interactions energy: -191.361
where: short stacking energy: -78.064
Base-Backbone interact. energy: -0.127
local terms energy: -101.733928
where:
bonds (distance) C4'-P energy: -19.446
bonds (distance) P-C4' energy: -19.908
flat angles C4'-P-C4' energy: -22.208
flat angles P-C4'-P energy: -14.360
tors. eta vs tors. theta energy: -25.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -277.819421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.819421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.819421 (E_RNA)
where:
Base-Base interactions energy: -197.296
where: short stacking energy: -71.885
Base-Backbone interact. energy: -0.531
local terms energy: -79.992654
where:
bonds (distance) C4'-P energy: -12.278
bonds (distance) P-C4' energy: -19.249
flat angles C4'-P-C4' energy: -18.551
flat angles P-C4'-P energy: -13.382
tors. eta vs tors. theta energy: -16.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -273.133316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.133316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.133316 (E_RNA)
where:
Base-Base interactions energy: -186.484
where: short stacking energy: -77.383
Base-Backbone interact. energy: -0.216
local terms energy: -86.432824
where:
bonds (distance) C4'-P energy: -17.389
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -17.360
flat angles P-C4'-P energy: -11.222
tors. eta vs tors. theta energy: -22.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -270.179299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.179299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.179299 (E_RNA)
where:
Base-Base interactions energy: -177.414
where: short stacking energy: -80.568
Base-Backbone interact. energy: -0.059
local terms energy: -92.706606
where:
bonds (distance) C4'-P energy: -19.241
bonds (distance) P-C4' energy: -21.239
flat angles C4'-P-C4' energy: -16.683
flat angles P-C4'-P energy: -13.376
tors. eta vs tors. theta energy: -22.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -263.148241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.148241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.148241 (E_RNA)
where:
Base-Base interactions energy: -188.980
where: short stacking energy: -71.558
Base-Backbone interact. energy: -0.706
local terms energy: -73.462188
where:
bonds (distance) C4'-P energy: -18.025
bonds (distance) P-C4' energy: -21.291
flat angles C4'-P-C4' energy: -9.591
flat angles P-C4'-P energy: -3.778
tors. eta vs tors. theta energy: -20.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -250.896444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.896444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.896444 (E_RNA)
where:
Base-Base interactions energy: -168.378
where: short stacking energy: -71.694
Base-Backbone interact. energy: -0.414
local terms energy: -82.104900
where:
bonds (distance) C4'-P energy: -16.817
bonds (distance) P-C4' energy: -19.753
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -11.143
tors. eta vs tors. theta energy: -18.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -110.080023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.080023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.080023 (E_RNA)
where:
Base-Base interactions energy: -39.713
where: short stacking energy: -22.118
Base-Backbone interact. energy: -0.213
local terms energy: -70.154322
where:
bonds (distance) C4'-P energy: -17.598
bonds (distance) P-C4' energy: -19.415
flat angles C4'-P-C4' energy: -20.314
flat angles P-C4'-P energy: -9.411
tors. eta vs tors. theta energy: -3.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -99.792919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.792919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.792919 (E_RNA)
where:
Base-Base interactions energy: -36.902
where: short stacking energy: -21.656
Base-Backbone interact. energy: -0.879
local terms energy: -62.010997
where:
bonds (distance) C4'-P energy: -17.731
bonds (distance) P-C4' energy: -17.253
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -11.946
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: 10, replica: 8
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -99.252099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.252099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.252099 (E_RNA)
where:
Base-Base interactions energy: -37.002
where: short stacking energy: -26.412
Base-Backbone interact. energy: -0.052
local terms energy: -62.198243
where:
bonds (distance) C4'-P energy: -19.061
bonds (distance) P-C4' energy: -14.932
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -12.112
tors. eta vs tors. theta energy: -1.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -287.499616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.499616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.499616 (E_RNA)
where:
Base-Base interactions energy: -194.312
where: short stacking energy: -73.454
Base-Backbone interact. energy: -0.562
local terms energy: -92.626180
where:
bonds (distance) C4'-P energy: -16.889
bonds (distance) P-C4' energy: -18.782
flat angles C4'-P-C4' energy: -18.362
flat angles P-C4'-P energy: -15.135
tors. eta vs tors. theta energy: -23.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -292.422313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.422313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.422313 (E_RNA)
where:
Base-Base interactions energy: -199.871
where: short stacking energy: -76.750
Base-Backbone interact. energy: -0.190
local terms energy: -92.361864
where:
bonds (distance) C4'-P energy: -14.345
bonds (distance) P-C4' energy: -17.878
flat angles C4'-P-C4' energy: -22.562
flat angles P-C4'-P energy: -15.506
tors. eta vs tors. theta energy: -22.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -283.051887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.051887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.051887 (E_RNA)
where:
Base-Base interactions energy: -191.723
where: short stacking energy: -74.590
Base-Backbone interact. energy: -0.446
local terms energy: -90.882277
where:
bonds (distance) C4'-P energy: -17.360
bonds (distance) P-C4' energy: -20.418
flat angles C4'-P-C4' energy: -17.457
flat angles P-C4'-P energy: -12.098
tors. eta vs tors. theta energy: -23.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -277.903685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.903685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.903685 (E_RNA)
where:
Base-Base interactions energy: -189.206
where: short stacking energy: -63.380
Base-Backbone interact. energy: -0.084
local terms energy: -88.614097
where:
bonds (distance) C4'-P energy: -19.727
bonds (distance) P-C4' energy: -17.782
flat angles C4'-P-C4' energy: -14.920
flat angles P-C4'-P energy: -14.991
tors. eta vs tors. theta energy: -21.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -272.676291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.676291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.676291 (E_RNA)
where:
Base-Base interactions energy: -183.883
where: short stacking energy: -78.514
Base-Backbone interact. energy: -0.375
local terms energy: -88.418092
where:
bonds (distance) C4'-P energy: -17.787
bonds (distance) P-C4' energy: -12.808
flat angles C4'-P-C4' energy: -15.903
flat angles P-C4'-P energy: -16.071
tors. eta vs tors. theta energy: -25.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -259.507955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.507955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.507955 (E_RNA)
where:
Base-Base interactions energy: -169.001
where: short stacking energy: -68.307
Base-Backbone interact. energy: 1.338
local terms energy: -91.845348
where:
bonds (distance) C4'-P energy: -21.129
bonds (distance) P-C4' energy: -19.699
flat angles C4'-P-C4' energy: -18.557
flat angles P-C4'-P energy: -13.754
tors. eta vs tors. theta energy: -18.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -245.083938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.083938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.083938 (E_RNA)
where:
Base-Base interactions energy: -166.962
where: short stacking energy: -71.912
Base-Backbone interact. energy: -0.452
local terms energy: -77.669027
where:
bonds (distance) C4'-P energy: -11.520
bonds (distance) P-C4' energy: -15.337
flat angles C4'-P-C4' energy: -15.265
flat angles P-C4'-P energy: -13.916
tors. eta vs tors. theta energy: -21.629
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: 6
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -114.111827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.111827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.111827 (E_RNA)
where:
Base-Base interactions energy: -45.959
where: short stacking energy: -33.407
Base-Backbone interact. energy: -0.370
local terms energy: -67.782941
where:
bonds (distance) C4'-P energy: -19.579
bonds (distance) P-C4' energy: -14.002
flat angles C4'-P-C4' energy: -11.796
flat angles P-C4'-P energy: -13.277
tors. eta vs tors. theta energy: -9.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -107.412588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.412588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.412588 (E_RNA)
where:
Base-Base interactions energy: -49.945
where: short stacking energy: -30.545
Base-Backbone interact. energy: 0.577
local terms energy: -58.044990
where:
bonds (distance) C4'-P energy: -19.511
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -10.622
flat angles P-C4'-P energy: -8.525
tors. eta vs tors. theta energy: -2.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -81.099136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.099136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.099136 (E_RNA)
where:
Base-Base interactions energy: -27.331
where: short stacking energy: -25.749
Base-Backbone interact. energy: -0.437
local terms energy: -53.331251
where:
bonds (distance) C4'-P energy: -13.686
bonds (distance) P-C4' energy: -17.251
flat angles C4'-P-C4' energy: -10.497
flat angles P-C4'-P energy: -10.274
tors. eta vs tors. theta energy: -1.622
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: 98
Temperature: 0.900000
Total energy: -290.935630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.935630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.935630 (E_RNA)
where:
Base-Base interactions energy: -203.118
where: short stacking energy: -77.458
Base-Backbone interact. energy: -0.217
local terms energy: -87.600461
where:
bonds (distance) C4'-P energy: -19.776
bonds (distance) P-C4' energy: -13.606
flat angles C4'-P-C4' energy: -16.927
flat angles P-C4'-P energy: -14.006
tors. eta vs tors. theta energy: -23.286
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: 9
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -284.911875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.911875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.911875 (E_RNA)
where:
Base-Base interactions energy: -200.953
where: short stacking energy: -76.830
Base-Backbone interact. energy: -0.197
local terms energy: -83.761687
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -17.313
flat angles C4'-P-C4' energy: -16.545
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: -23.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -281.839318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.839318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.839318 (E_RNA)
where:
Base-Base interactions energy: -189.125
where: short stacking energy: -77.135
Base-Backbone interact. energy: -0.043
local terms energy: -92.670737
where:
bonds (distance) C4'-P energy: -14.511
bonds (distance) P-C4' energy: -21.958
flat angles C4'-P-C4' energy: -17.465
flat angles P-C4'-P energy: -15.814
tors. eta vs tors. theta energy: -22.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -277.958912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.958912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.958912 (E_RNA)
where:
Base-Base interactions energy: -195.349
where: short stacking energy: -79.599
Base-Backbone interact. energy: -0.516
local terms energy: -82.093842
where:
bonds (distance) C4'-P energy: -11.524
bonds (distance) P-C4' energy: -17.593
flat angles C4'-P-C4' energy: -18.224
flat angles P-C4'-P energy: -13.012
tors. eta vs tors. theta energy: -21.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -263.716744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.716744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.716744 (E_RNA)
where:
Base-Base interactions energy: -179.254
where: short stacking energy: -74.848
Base-Backbone interact. energy: -0.314
local terms energy: -84.148759
where:
bonds (distance) C4'-P energy: -15.999
bonds (distance) P-C4' energy: -21.402
flat angles C4'-P-C4' energy: -18.884
flat angles P-C4'-P energy: -5.030
tors. eta vs tors. theta energy: -22.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -250.761491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.761491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.761491 (E_RNA)
where:
Base-Base interactions energy: -167.220
where: short stacking energy: -74.851
Base-Backbone interact. energy: -0.181
local terms energy: -83.360252
where:
bonds (distance) C4'-P energy: -18.231
bonds (distance) P-C4' energy: -15.778
flat angles C4'-P-C4' energy: -17.088
flat angles P-C4'-P energy: -9.461
tors. eta vs tors. theta energy: -22.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 98
Temperature: 1.200000
Total energy: -256.239381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.239381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.239381 (E_RNA)
where:
Base-Base interactions energy: -181.801
where: short stacking energy: -69.407
Base-Backbone interact. energy: -0.206
local terms energy: -74.232247
where:
bonds (distance) C4'-P energy: -11.456
bonds (distance) P-C4' energy: -14.770
flat angles C4'-P-C4' energy: -16.595
flat angles P-C4'-P energy: -11.366
tors. eta vs tors. theta energy: -20.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -100.183450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.183450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.183450 (E_RNA)
where:
Base-Base interactions energy: -45.606
where: short stacking energy: -40.915
Base-Backbone interact. energy: -0.025
local terms energy: -54.552409
where:
bonds (distance) C4'-P energy: -18.724
bonds (distance) P-C4' energy: -10.828
flat angles C4'-P-C4' energy: -12.856
flat angles P-C4'-P energy: -12.074
tors. eta vs tors. theta energy: -0.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -93.166320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.166320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.166320 (E_RNA)
where:
Base-Base interactions energy: -34.860
where: short stacking energy: -33.260
Base-Backbone interact. energy: -0.476
local terms energy: -57.830542
where:
bonds (distance) C4'-P energy: -14.047
bonds (distance) P-C4' energy: -19.583
flat angles C4'-P-C4' energy: -10.941
flat angles P-C4'-P energy: -13.263
tors. eta vs tors. theta energy: 0.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -87.314224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.314224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.314224 (E_RNA)
where:
Base-Base interactions energy: -26.001
where: short stacking energy: -25.311
Base-Backbone interact. energy: -0.320
local terms energy: -60.993052
where:
bonds (distance) C4'-P energy: -12.560
bonds (distance) P-C4' energy: -17.555
flat angles C4'-P-C4' energy: -17.031
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: -2.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -288.490303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.490303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.490303 (E_RNA)
where:
Base-Base interactions energy: -193.077
where: short stacking energy: -70.531
Base-Backbone interact. energy: -0.149
local terms energy: -95.265210
where:
bonds (distance) C4'-P energy: -20.211
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -17.731
flat angles P-C4'-P energy: -15.841
tors. eta vs tors. theta energy: -24.618
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: 7
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -278.825221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.825221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.825221 (E_RNA)
where:
Base-Base interactions energy: -189.919
where: short stacking energy: -68.687
Base-Backbone interact. energy: -0.154
local terms energy: -88.752749
where:
bonds (distance) C4'-P energy: -17.972
bonds (distance) P-C4' energy: -21.206
flat angles C4'-P-C4' energy: -17.085
flat angles P-C4'-P energy: -12.768
tors. eta vs tors. theta energy: -19.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -283.556038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.556038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.556038 (E_RNA)
where:
Base-Base interactions energy: -186.789
where: short stacking energy: -77.169
Base-Backbone interact. energy: -0.037
local terms energy: -96.729861
where:
bonds (distance) C4'-P energy: -16.153
bonds (distance) P-C4' energy: -20.160
flat angles C4'-P-C4' energy: -19.166
flat angles P-C4'-P energy: -18.362
tors. eta vs tors. theta energy: -22.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -278.830722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.830722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.830722 (E_RNA)
where:
Base-Base interactions energy: -196.122
where: short stacking energy: -84.601
Base-Backbone interact. energy: -0.070
local terms energy: -82.638824
where:
bonds (distance) C4'-P energy: -17.408
bonds (distance) P-C4' energy: -15.623
flat angles C4'-P-C4' energy: -19.179
flat angles P-C4'-P energy: -8.271
tors. eta vs tors. theta energy: -22.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -271.357087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.357087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.357087 (E_RNA)
where:
Base-Base interactions energy: -183.268
where: short stacking energy: -74.811
Base-Backbone interact. energy: 0.844
local terms energy: -88.933384
where:
bonds (distance) C4'-P energy: -16.041
bonds (distance) P-C4' energy: -19.560
flat angles C4'-P-C4' energy: -19.696
flat angles P-C4'-P energy: -11.912
tors. eta vs tors. theta energy: -21.724
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: 6, replica: 3
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -257.139598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.139598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.139598 (E_RNA)
where:
Base-Base interactions energy: -179.171
where: short stacking energy: -70.595
Base-Backbone interact. energy: -0.794
local terms energy: -77.174655
where:
bonds (distance) C4'-P energy: -9.386
bonds (distance) P-C4' energy: -18.070
flat angles C4'-P-C4' energy: -16.642
flat angles P-C4'-P energy: -13.910
tors. eta vs tors. theta energy: -19.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -251.221176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.221176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.221176 (E_RNA)
where:
Base-Base interactions energy: -176.957
where: short stacking energy: -61.540
Base-Backbone interact. energy: -0.180
local terms energy: -74.083709
where:
bonds (distance) C4'-P energy: -17.474
bonds (distance) P-C4' energy: -14.620
flat angles C4'-P-C4' energy: -13.138
flat angles P-C4'-P energy: -12.111
tors. eta vs tors. theta energy: -16.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -106.098268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.098268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.098268 (E_RNA)
where:
Base-Base interactions energy: -49.431
where: short stacking energy: -39.804
Base-Backbone interact. energy: 0.410
local terms energy: -57.077654
where:
bonds (distance) C4'-P energy: -13.641
bonds (distance) P-C4' energy: -17.716
flat angles C4'-P-C4' energy: -14.535
flat angles P-C4'-P energy: -6.685
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: 9, replica: 6
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -96.586021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.586021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.586021 (E_RNA)
where:
Base-Base interactions energy: -39.204
where: short stacking energy: -35.565
Base-Backbone interact. energy: 0.521
local terms energy: -57.903023
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -14.398
flat angles P-C4'-P energy: -5.385
tors. eta vs tors. theta energy: -5.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 99
Temperature: 1.350000
Total energy: -90.543233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.543233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.543233 (E_RNA)
where:
Base-Base interactions energy: -41.084
where: short stacking energy: -31.238
Base-Backbone interact. energy: 0.487
local terms energy: -49.946541
where:
bonds (distance) C4'-P energy: -8.136
bonds (distance) P-C4' energy: -19.166
flat angles C4'-P-C4' energy: -11.414
flat angles P-C4'-P energy: -11.983
tors. eta vs tors. theta energy: 0.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -291.504425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.504425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.504425 (E_RNA)
where:
Base-Base interactions energy: -204.748
where: short stacking energy: -80.231
Base-Backbone interact. energy: -0.612
local terms energy: -86.144788
where:
bonds (distance) C4'-P energy: -14.932
bonds (distance) P-C4' energy: -18.977
flat angles C4'-P-C4' energy: -17.667
flat angles P-C4'-P energy: -9.719
tors. eta vs tors. theta energy: -24.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -283.912256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.912256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.912256 (E_RNA)
where:
Base-Base interactions energy: -199.594
where: short stacking energy: -77.115
Base-Backbone interact. energy: -0.032
local terms energy: -84.286082
where:
bonds (distance) C4'-P energy: -17.662
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -16.462
flat angles P-C4'-P energy: -8.893
tors. eta vs tors. theta energy: -26.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -269.266717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.266717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.266717 (E_RNA)
where:
Base-Base interactions energy: -185.030
where: short stacking energy: -78.698
Base-Backbone interact. energy: -0.049
local terms energy: -84.188188
where:
bonds (distance) C4'-P energy: -15.612
bonds (distance) P-C4' energy: -13.471
flat angles C4'-P-C4' energy: -20.506
flat angles P-C4'-P energy: -10.948
tors. eta vs tors. theta energy: -23.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -274.238893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.238893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.238893 (E_RNA)
where:
Base-Base interactions energy: -186.877
where: short stacking energy: -68.759
Base-Backbone interact. energy: -0.349
local terms energy: -87.013233
where:
bonds (distance) C4'-P energy: -13.517
bonds (distance) P-C4' energy: -20.044
flat angles C4'-P-C4' energy: -19.294
flat angles P-C4'-P energy: -10.722
tors. eta vs tors. theta energy: -23.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -267.366912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.366912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.366912 (E_RNA)
where:
Base-Base interactions energy: -185.988
where: short stacking energy: -78.345
Base-Backbone interact. energy: -0.183
local terms energy: -81.196136
where:
bonds (distance) C4'-P energy: -14.887
bonds (distance) P-C4' energy: -8.927
flat angles C4'-P-C4' energy: -20.847
flat angles P-C4'-P energy: -15.002
tors. eta vs tors. theta energy: -21.533
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: 3
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -271.307760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.307760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.307760 (E_RNA)
where:
Base-Base interactions energy: -191.038
where: short stacking energy: -75.801
Base-Backbone interact. energy: -0.918
local terms energy: -79.351428
where:
bonds (distance) C4'-P energy: -15.255
bonds (distance) P-C4' energy: -19.213
flat angles C4'-P-C4' energy: -16.800
flat angles P-C4'-P energy: -5.976
tors. eta vs tors. theta energy: -22.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -258.104480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.104480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.104480 (E_RNA)
where:
Base-Base interactions energy: -180.005
where: short stacking energy: -62.711
Base-Backbone interact. energy: -0.314
local terms energy: -77.786104
where:
bonds (distance) C4'-P energy: -18.674
bonds (distance) P-C4' energy: -15.376
flat angles C4'-P-C4' energy: -18.264
flat angles P-C4'-P energy: -8.852
tors. eta vs tors. theta energy: -16.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -110.009684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.009684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.009684 (E_RNA)
where:
Base-Base interactions energy: -42.624
where: short stacking energy: -38.391
Base-Backbone interact. energy: 1.816
local terms energy: -69.201339
where:
bonds (distance) C4'-P energy: -14.478
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -13.988
flat angles P-C4'-P energy: -9.602
tors. eta vs tors. theta energy: -13.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -97.619017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.619017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.619017 (E_RNA)
where:
Base-Base interactions energy: -38.199
where: short stacking energy: -21.964
Base-Backbone interact. energy: -0.626
local terms energy: -58.793998
where:
bonds (distance) C4'-P energy: -14.633
bonds (distance) P-C4' energy: -19.318
flat angles C4'-P-C4' energy: -15.410
flat angles P-C4'-P energy: -8.098
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: 10, replica: 8
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -88.954008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.954008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.954008 (E_RNA)
where:
Base-Base interactions energy: -45.850
where: short stacking energy: -31.644
Base-Backbone interact. energy: -0.474
local terms energy: -42.629258
where:
bonds (distance) C4'-P energy: -20.169
bonds (distance) P-C4' energy: -14.931
flat angles C4'-P-C4' energy: -11.224
flat angles P-C4'-P energy: 3.966
tors. eta vs tors. theta energy: -0.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -289.368179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.368179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.368179 (E_RNA)
where:
Base-Base interactions energy: -193.552
where: short stacking energy: -82.282
Base-Backbone interact. energy: -0.159
local terms energy: -95.656449
where:
bonds (distance) C4'-P energy: -17.536
bonds (distance) P-C4' energy: -18.010
flat angles C4'-P-C4' energy: -19.671
flat angles P-C4'-P energy: -15.431
tors. eta vs tors. theta energy: -25.008
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: 10
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -297.531328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.531328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.531328 (E_RNA)
where:
Base-Base interactions energy: -209.208
where: short stacking energy: -69.252
Base-Backbone interact. energy: -0.367
local terms energy: -87.956678
where:
bonds (distance) C4'-P energy: -18.237
bonds (distance) P-C4' energy: -18.345
flat angles C4'-P-C4' energy: -22.087
flat angles P-C4'-P energy: -11.948
tors. eta vs tors. theta energy: -17.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 101
Temperature: 1.000000
Total energy: -275.819211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.819211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.819211 (E_RNA)
where:
Base-Base interactions energy: -190.989
where: short stacking energy: -80.013
Base-Backbone interact. energy: -0.083
local terms energy: -84.747107
where:
bonds (distance) C4'-P energy: -11.260
bonds (distance) P-C4' energy: -17.660
flat angles C4'-P-C4' energy: -20.333
flat angles P-C4'-P energy: -9.563
tors. eta vs tors. theta energy: -25.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -276.575552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.575552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.575552 (E_RNA)
where:
Base-Base interactions energy: -186.803
where: short stacking energy: -80.402
Base-Backbone interact. energy: -0.117
local terms energy: -89.655592
where:
bonds (distance) C4'-P energy: -16.577
bonds (distance) P-C4' energy: -18.562
flat angles C4'-P-C4' energy: -20.172
flat angles P-C4'-P energy: -12.824
tors. eta vs tors. theta energy: -21.522
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: 101
Temperature: 1.100000
Total energy: -272.044329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.044329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.044329 (E_RNA)
where:
Base-Base interactions energy: -186.482
where: short stacking energy: -73.424
Base-Backbone interact. energy: -0.882
local terms energy: -84.680444
where:
bonds (distance) C4'-P energy: -16.908
bonds (distance) P-C4' energy: -11.693
flat angles C4'-P-C4' energy: -18.308
flat angles P-C4'-P energy: -12.786
tors. eta vs tors. theta energy: -24.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -261.540753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.540753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.540753 (E_RNA)
where:
Base-Base interactions energy: -183.614
where: short stacking energy: -59.217
Base-Backbone interact. energy: -0.074
local terms energy: -77.852139
where:
bonds (distance) C4'-P energy: -13.875
bonds (distance) P-C4' energy: -18.663
flat angles C4'-P-C4' energy: -17.104
flat angles P-C4'-P energy: -11.762
tors. eta vs tors. theta energy: -16.448
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: 101
Temperature: 1.200000
Total energy: -259.361486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.361486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.361486 (E_RNA)
where:
Base-Base interactions energy: -173.142
where: short stacking energy: -65.198
Base-Backbone interact. energy: -1.142
local terms energy: -85.077461
where:
bonds (distance) C4'-P energy: -16.518
bonds (distance) P-C4' energy: -16.446
flat angles C4'-P-C4' energy: -17.347
flat angles P-C4'-P energy: -14.188
tors. eta vs tors. theta energy: -20.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -91.178187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.178187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.178187 (E_RNA)
where:
Base-Base interactions energy: -27.816
where: short stacking energy: -28.816
Base-Backbone interact. energy: -0.153
local terms energy: -63.209289
where:
bonds (distance) C4'-P energy: -14.348
bonds (distance) P-C4' energy: -18.553
flat angles C4'-P-C4' energy: -15.112
flat angles P-C4'-P energy: -14.116
tors. eta vs tors. theta energy: -1.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -102.355933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.355933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.355933 (E_RNA)
where:
Base-Base interactions energy: -37.220
where: short stacking energy: -37.220
Base-Backbone interact. energy: -0.122
local terms energy: -65.013878
where:
bonds (distance) C4'-P energy: -12.878
bonds (distance) P-C4' energy: -18.986
flat angles C4'-P-C4' energy: -16.100
flat angles P-C4'-P energy: -10.496
tors. eta vs tors. theta energy: -6.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -89.483195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.483195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.483195 (E_RNA)
where:
Base-Base interactions energy: -33.238
where: short stacking energy: -26.524
Base-Backbone interact. energy: -0.050
local terms energy: -56.195670
where:
bonds (distance) C4'-P energy: -15.925
bonds (distance) P-C4' energy: -16.428
flat angles C4'-P-C4' energy: -11.358
flat angles P-C4'-P energy: -10.714
tors. eta vs tors. theta energy: -1.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -297.942713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.942713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.942713 (E_RNA)
where:
Base-Base interactions energy: -205.235
where: short stacking energy: -66.511
Base-Backbone interact. energy: -0.168
local terms energy: -92.540514
where:
bonds (distance) C4'-P energy: -19.221
bonds (distance) P-C4' energy: -20.425
flat angles C4'-P-C4' energy: -20.322
flat angles P-C4'-P energy: -15.835
tors. eta vs tors. theta energy: -16.738
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: 7
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -282.615294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.615294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.615294 (E_RNA)
where:
Base-Base interactions energy: -199.761
where: short stacking energy: -78.277
Base-Backbone interact. energy: -0.276
local terms energy: -82.578698
where:
bonds (distance) C4'-P energy: -12.386
bonds (distance) P-C4' energy: -16.240
flat angles C4'-P-C4' energy: -17.441
flat angles P-C4'-P energy: -13.542
tors. eta vs tors. theta energy: -22.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -281.433129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.433129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.433129 (E_RNA)
where:
Base-Base interactions energy: -196.203
where: short stacking energy: -73.204
Base-Backbone interact. energy: -1.323
local terms energy: -83.907287
where:
bonds (distance) C4'-P energy: -17.450
bonds (distance) P-C4' energy: -16.143
flat angles C4'-P-C4' energy: -14.058
flat angles P-C4'-P energy: -13.294
tors. eta vs tors. theta energy: -22.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -269.433641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.433641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.433641 (E_RNA)
where:
Base-Base interactions energy: -180.781
where: short stacking energy: -76.700
Base-Backbone interact. energy: -0.090
local terms energy: -88.563186
where:
bonds (distance) C4'-P energy: -15.118
bonds (distance) P-C4' energy: -18.294
flat angles C4'-P-C4' energy: -20.291
flat angles P-C4'-P energy: -10.681
tors. eta vs tors. theta energy: -24.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -269.020794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.020794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.020794 (E_RNA)
where:
Base-Base interactions energy: -192.902
where: short stacking energy: -77.846
Base-Backbone interact. energy: -0.817
local terms energy: -75.301846
where:
bonds (distance) C4'-P energy: -11.711
bonds (distance) P-C4' energy: -15.437
flat angles C4'-P-C4' energy: -15.858
flat angles P-C4'-P energy: -13.063
tors. eta vs tors. theta energy: -19.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -264.486903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.486903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.486903 (E_RNA)
where:
Base-Base interactions energy: -173.773
where: short stacking energy: -65.274
Base-Backbone interact. energy: -1.008
local terms energy: -89.706374
where:
bonds (distance) C4'-P energy: -17.391
bonds (distance) P-C4' energy: -17.139
flat angles C4'-P-C4' energy: -17.158
flat angles P-C4'-P energy: -15.418
tors. eta vs tors. theta energy: -22.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -216.945834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.945834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.945834 (E_RNA)
where:
Base-Base interactions energy: -137.541
where: short stacking energy: -57.872
Base-Backbone interact. energy: -0.036
local terms energy: -79.368026
where:
bonds (distance) C4'-P energy: -19.757
bonds (distance) P-C4' energy: -15.006
flat angles C4'-P-C4' energy: -14.279
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: -18.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -92.302302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.302302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.302302 (E_RNA)
where:
Base-Base interactions energy: -30.349
where: short stacking energy: -27.672
Base-Backbone interact. energy: 3.128
local terms energy: -65.080895
where:
bonds (distance) C4'-P energy: -18.671
bonds (distance) P-C4' energy: -18.252
flat angles C4'-P-C4' energy: -12.764
flat angles P-C4'-P energy: -12.101
tors. eta vs tors. theta energy: -3.294
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: 8
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -88.536263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.536263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.536263 (E_RNA)
where:
Base-Base interactions energy: -30.689
where: short stacking energy: -24.638
Base-Backbone interact. energy: -1.185
local terms energy: -56.662165
where:
bonds (distance) C4'-P energy: -16.880
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -16.013
flat angles P-C4'-P energy: -8.374
tors. eta vs tors. theta energy: -0.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -84.240478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.240478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.240478 (E_RNA)
where:
Base-Base interactions energy: -27.864
where: short stacking energy: -27.864
Base-Backbone interact. energy: -0.316
local terms energy: -56.060639
where:
bonds (distance) C4'-P energy: -14.900
bonds (distance) P-C4' energy: -21.194
flat angles C4'-P-C4' energy: -16.071
flat angles P-C4'-P energy: -1.387
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: 10
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -288.463237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.463237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.463237 (E_RNA)
where:
Base-Base interactions energy: -201.499
where: short stacking energy: -68.469
Base-Backbone interact. energy: -0.559
local terms energy: -86.404779
where:
bonds (distance) C4'-P energy: -16.655
bonds (distance) P-C4' energy: -21.098
flat angles C4'-P-C4' energy: -19.753
flat angles P-C4'-P energy: -10.855
tors. eta vs tors. theta energy: -18.043
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: 2, replica: 5
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -280.692749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.692749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.692749 (E_RNA)
where:
Base-Base interactions energy: -195.846
where: short stacking energy: -76.831
Base-Backbone interact. energy: -0.169
local terms energy: -84.677941
where:
bonds (distance) C4'-P energy: -17.446
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -16.925
flat angles P-C4'-P energy: -9.893
tors. eta vs tors. theta energy: -25.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -277.992071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.992071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.992071 (E_RNA)
where:
Base-Base interactions energy: -185.951
where: short stacking energy: -73.155
Base-Backbone interact. energy: -0.061
local terms energy: -91.979369
where:
bonds (distance) C4'-P energy: -17.463
bonds (distance) P-C4' energy: -18.347
flat angles C4'-P-C4' energy: -21.572
flat angles P-C4'-P energy: -12.058
tors. eta vs tors. theta energy: -22.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -278.315842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.315842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.315842 (E_RNA)
where:
Base-Base interactions energy: -189.725
where: short stacking energy: -89.395
Base-Backbone interact. energy: -0.023
local terms energy: -88.568380
where:
bonds (distance) C4'-P energy: -19.217
bonds (distance) P-C4' energy: -13.126
flat angles C4'-P-C4' energy: -18.123
flat angles P-C4'-P energy: -11.047
tors. eta vs tors. theta energy: -27.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -253.602868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.602868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.602868 (E_RNA)
where:
Base-Base interactions energy: -166.697
where: short stacking energy: -72.084
Base-Backbone interact. energy: -0.020
local terms energy: -86.885237
where:
bonds (distance) C4'-P energy: -17.064
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -13.012
tors. eta vs tors. theta energy: -23.033
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: 6, replica: 2
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -277.312493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.312493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.312493 (E_RNA)
where:
Base-Base interactions energy: -181.489
where: short stacking energy: -79.525
Base-Backbone interact. energy: -0.081
local terms energy: -95.742437
where:
bonds (distance) C4'-P energy: -17.983
bonds (distance) P-C4' energy: -18.992
flat angles C4'-P-C4' energy: -21.612
flat angles P-C4'-P energy: -13.853
tors. eta vs tors. theta energy: -23.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -203.110761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.110761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.110761 (E_RNA)
where:
Base-Base interactions energy: -140.771
where: short stacking energy: -56.466
Base-Backbone interact. energy: -0.100
local terms energy: -62.239404
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -7.020
flat angles C4'-P-C4' energy: -19.192
flat angles P-C4'-P energy: -11.524
tors. eta vs tors. theta energy: -10.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -94.363952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.363952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.363952 (E_RNA)
where:
Base-Base interactions energy: -38.838
where: short stacking energy: -34.319
Base-Backbone interact. energy: -0.270
local terms energy: -55.255073
where:
bonds (distance) C4'-P energy: -17.620
bonds (distance) P-C4' energy: -16.478
flat angles C4'-P-C4' energy: -10.756
flat angles P-C4'-P energy: -7.713
tors. eta vs tors. theta energy: -2.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -95.703454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.703454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.703454 (E_RNA)
where:
Base-Base interactions energy: -42.038
where: short stacking energy: -29.727
Base-Backbone interact. energy: -0.196
local terms energy: -53.469852
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -16.503
flat angles C4'-P-C4' energy: -16.534
flat angles P-C4'-P energy: -5.866
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: 10, replica: 4
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -91.748734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.748734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.748734 (E_RNA)
where:
Base-Base interactions energy: -47.253
where: short stacking energy: -25.180
Base-Backbone interact. energy: -0.157
local terms energy: -44.338896
where:
bonds (distance) C4'-P energy: -16.547
bonds (distance) P-C4' energy: -10.709
flat angles C4'-P-C4' energy: -15.312
flat angles P-C4'-P energy: -1.776
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: 104
Temperature: 0.900000
Total energy: -294.508788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.508788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.508788 (E_RNA)
where:
Base-Base interactions energy: -193.887
where: short stacking energy: -82.010
Base-Backbone interact. energy: -0.876
local terms energy: -99.745997
where:
bonds (distance) C4'-P energy: -20.844
bonds (distance) P-C4' energy: -21.783
flat angles C4'-P-C4' energy: -19.775
flat angles P-C4'-P energy: -10.866
tors. eta vs tors. theta energy: -26.478
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: 10
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -286.807350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.807350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.807350 (E_RNA)
where:
Base-Base interactions energy: -193.966
where: short stacking energy: -70.547
Base-Backbone interact. energy: -0.299
local terms energy: -92.542212
where:
bonds (distance) C4'-P energy: -19.945
bonds (distance) P-C4' energy: -21.808
flat angles C4'-P-C4' energy: -17.964
flat angles P-C4'-P energy: -11.371
tors. eta vs tors. theta energy: -21.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -277.538720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.538720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.538720 (E_RNA)
where:
Base-Base interactions energy: -186.920
where: short stacking energy: -79.721
Base-Backbone interact. energy: -0.292
local terms energy: -90.326379
where:
bonds (distance) C4'-P energy: -16.340
bonds (distance) P-C4' energy: -18.503
flat angles C4'-P-C4' energy: -18.006
flat angles P-C4'-P energy: -13.517
tors. eta vs tors. theta energy: -23.961
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: 1
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -279.447644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.447644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.447644 (E_RNA)
where:
Base-Base interactions energy: -184.935
where: short stacking energy: -79.481
Base-Backbone interact. energy: -0.737
local terms energy: -93.775715
where:
bonds (distance) C4'-P energy: -16.775
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -21.825
flat angles P-C4'-P energy: -13.758
tors. eta vs tors. theta energy: -24.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -271.715129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.715129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.715129 (E_RNA)
where:
Base-Base interactions energy: -183.422
where: short stacking energy: -72.877
Base-Backbone interact. energy: -0.810
local terms energy: -87.483245
where:
bonds (distance) C4'-P energy: -17.361
bonds (distance) P-C4' energy: -11.268
flat angles C4'-P-C4' energy: -21.118
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -27.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -262.797903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.797903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.797903 (E_RNA)
where:
Base-Base interactions energy: -175.655
where: short stacking energy: -64.459
Base-Backbone interact. energy: -0.593
local terms energy: -86.550104
where:
bonds (distance) C4'-P energy: -16.567
bonds (distance) P-C4' energy: -16.900
flat angles C4'-P-C4' energy: -19.941
flat angles P-C4'-P energy: -10.649
tors. eta vs tors. theta energy: -22.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -258.836062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.836062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.836062 (E_RNA)
where:
Base-Base interactions energy: -174.446
where: short stacking energy: -80.443
Base-Backbone interact. energy: -0.163
local terms energy: -84.226503
where:
bonds (distance) C4'-P energy: -10.385
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -17.471
flat angles P-C4'-P energy: -13.825
tors. eta vs tors. theta energy: -27.007
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: 8, replica: 8
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -154.741623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.741623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.741623 (E_RNA)
where:
Base-Base interactions energy: -107.026
where: short stacking energy: -39.055
Base-Backbone interact. energy: 1.122
local terms energy: -48.837207
where:
bonds (distance) C4'-P energy: -5.264
bonds (distance) P-C4' energy: -13.844
flat angles C4'-P-C4' energy: -14.878
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: -5.388
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: 4
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -93.368756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.368756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.368756 (E_RNA)
where:
Base-Base interactions energy: -39.241
where: short stacking energy: -37.004
Base-Backbone interact. energy: -0.042
local terms energy: -54.086549
where:
bonds (distance) C4'-P energy: -8.206
bonds (distance) P-C4' energy: -14.034
flat angles C4'-P-C4' energy: -18.782
flat angles P-C4'-P energy: -11.719
tors. eta vs tors. theta energy: -1.347
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: 6
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -94.671419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.671419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.671419 (E_RNA)
where:
Base-Base interactions energy: -45.937
where: short stacking energy: -30.547
Base-Backbone interact. energy: 1.507
local terms energy: -50.241123
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -20.070
flat angles C4'-P-C4' energy: -10.555
flat angles P-C4'-P energy: -0.161
tors. eta vs tors. theta energy: -3.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -293.296109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.296109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.296109 (E_RNA)
where:
Base-Base interactions energy: -200.016
where: short stacking energy: -86.340
Base-Backbone interact. energy: -0.242
local terms energy: -93.038999
where:
bonds (distance) C4'-P energy: -19.012
bonds (distance) P-C4' energy: -18.367
flat angles C4'-P-C4' energy: -19.284
flat angles P-C4'-P energy: -10.089
tors. eta vs tors. theta energy: -26.286
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: 10
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -290.877248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.877248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.877248 (E_RNA)
where:
Base-Base interactions energy: -206.610
where: short stacking energy: -76.606
Base-Backbone interact. energy: -0.094
local terms energy: -84.173150
where:
bonds (distance) C4'-P energy: -16.751
bonds (distance) P-C4' energy: -19.041
flat angles C4'-P-C4' energy: -16.499
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -21.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -278.775237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.775237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.775237 (E_RNA)
where:
Base-Base interactions energy: -186.504
where: short stacking energy: -83.818
Base-Backbone interact. energy: -0.287
local terms energy: -91.984325
where:
bonds (distance) C4'-P energy: -16.319
bonds (distance) P-C4' energy: -21.292
flat angles C4'-P-C4' energy: -15.876
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -27.903
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: 4, replica: 2
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -279.357049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.357049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.357049 (E_RNA)
where:
Base-Base interactions energy: -192.130
where: short stacking energy: -76.897
Base-Backbone interact. energy: -1.107
local terms energy: -86.119899
where:
bonds (distance) C4'-P energy: -15.654
bonds (distance) P-C4' energy: -15.861
flat angles C4'-P-C4' energy: -20.467
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -23.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -268.954111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.954111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.954111 (E_RNA)
where:
Base-Base interactions energy: -185.563
where: short stacking energy: -72.033
Base-Backbone interact. energy: -0.737
local terms energy: -82.654142
where:
bonds (distance) C4'-P energy: -14.262
bonds (distance) P-C4' energy: -17.686
flat angles C4'-P-C4' energy: -16.564
flat angles P-C4'-P energy: -13.913
tors. eta vs tors. theta energy: -20.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -271.165300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.165300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.165300 (E_RNA)
where:
Base-Base interactions energy: -185.286
where: short stacking energy: -73.668
Base-Backbone interact. energy: -0.124
local terms energy: -85.755727
where:
bonds (distance) C4'-P energy: -13.872
bonds (distance) P-C4' energy: -19.658
flat angles C4'-P-C4' energy: -15.955
flat angles P-C4'-P energy: -10.836
tors. eta vs tors. theta energy: -25.435
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: 105
Temperature: 1.200000
Total energy: -257.339651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.339651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.339651 (E_RNA)
where:
Base-Base interactions energy: -177.502
where: short stacking energy: -66.659
Base-Backbone interact. energy: -0.674
local terms energy: -79.163270
where:
bonds (distance) C4'-P energy: -15.719
bonds (distance) P-C4' energy: -18.895
flat angles C4'-P-C4' energy: -17.054
flat angles P-C4'-P energy: -8.658
tors. eta vs tors. theta energy: -18.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -147.947029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.947029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.947029 (E_RNA)
where:
Base-Base interactions energy: -78.088
where: short stacking energy: -39.271
Base-Backbone interact. energy: -0.080
local terms energy: -69.779308
where:
bonds (distance) C4'-P energy: -15.832
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -18.196
flat angles P-C4'-P energy: -13.643
tors. eta vs tors. theta energy: -5.840
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: 9, replica: 4
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -99.648738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.648738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.648738 (E_RNA)
where:
Base-Base interactions energy: -36.783
where: short stacking energy: -36.783
Base-Backbone interact. energy: -0.226
local terms energy: -62.639860
where:
bonds (distance) C4'-P energy: -15.202
bonds (distance) P-C4' energy: -14.821
flat angles C4'-P-C4' energy: -13.787
flat angles P-C4'-P energy: -12.073
tors. eta vs tors. theta energy: -6.759
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: 10, replica: 6
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -98.561087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.561087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.561087 (E_RNA)
where:
Base-Base interactions energy: -29.832
where: short stacking energy: -26.036
Base-Backbone interact. energy: -0.272
local terms energy: -68.457789
where:
bonds (distance) C4'-P energy: -17.732
bonds (distance) P-C4' energy: -18.899
flat angles C4'-P-C4' energy: -19.475
flat angles P-C4'-P energy: -8.954
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: 1, replica: 10
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -302.647459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.647459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.647459 (E_RNA)
where:
Base-Base interactions energy: -209.291
where: short stacking energy: -78.463
Base-Backbone interact. energy: -0.798
local terms energy: -92.558467
where:
bonds (distance) C4'-P energy: -14.460
bonds (distance) P-C4' energy: -18.012
flat angles C4'-P-C4' energy: -20.634
flat angles P-C4'-P energy: -14.963
tors. eta vs tors. theta energy: -24.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -288.019543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.019543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.019543 (E_RNA)
where:
Base-Base interactions energy: -201.166
where: short stacking energy: -77.686
Base-Backbone interact. energy: -0.781
local terms energy: -86.071991
where:
bonds (distance) C4'-P energy: -17.397
bonds (distance) P-C4' energy: -16.337
flat angles C4'-P-C4' energy: -19.722
flat angles P-C4'-P energy: -9.604
tors. eta vs tors. theta energy: -23.012
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: 2
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -277.050549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.050549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.050549 (E_RNA)
where:
Base-Base interactions energy: -185.060
where: short stacking energy: -77.436
Base-Backbone interact. energy: -0.444
local terms energy: -91.546677
where:
bonds (distance) C4'-P energy: -17.949
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -21.761
flat angles P-C4'-P energy: -11.794
tors. eta vs tors. theta energy: -24.470
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: 7
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -277.692036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.692036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.692036 (E_RNA)
where:
Base-Base interactions energy: -186.349
where: short stacking energy: -83.168
Base-Backbone interact. energy: -0.124
local terms energy: -91.219464
where:
bonds (distance) C4'-P energy: -16.784
bonds (distance) P-C4' energy: -14.694
flat angles C4'-P-C4' energy: -19.869
flat angles P-C4'-P energy: -13.206
tors. eta vs tors. theta energy: -26.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -261.199028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.199028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.199028 (E_RNA)
where:
Base-Base interactions energy: -177.741
where: short stacking energy: -62.928
Base-Backbone interact. energy: -0.028
local terms energy: -83.430856
where:
bonds (distance) C4'-P energy: -18.795
bonds (distance) P-C4' energy: -10.804
flat angles C4'-P-C4' energy: -20.312
flat angles P-C4'-P energy: -15.882
tors. eta vs tors. theta energy: -17.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -262.568114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.568114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.568114 (E_RNA)
where:
Base-Base interactions energy: -174.664
where: short stacking energy: -75.267
Base-Backbone interact. energy: 1.102
local terms energy: -89.006306
where:
bonds (distance) C4'-P energy: -19.651
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -21.379
flat angles P-C4'-P energy: -11.596
tors. eta vs tors. theta energy: -20.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -234.756543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.756543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.756543 (E_RNA)
where:
Base-Base interactions energy: -163.035
where: short stacking energy: -69.312
Base-Backbone interact. energy: -0.133
local terms energy: -71.588820
where:
bonds (distance) C4'-P energy: -16.605
bonds (distance) P-C4' energy: -8.020
flat angles C4'-P-C4' energy: -14.453
flat angles P-C4'-P energy: -13.889
tors. eta vs tors. theta energy: -18.622
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: 8, replica: 8
=====================================
Write number: 106
Temperature: 1.250000
Total energy: -146.962801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.962801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.962801 (E_RNA)
where:
Base-Base interactions energy: -75.954
where: short stacking energy: -35.153
Base-Backbone interact. energy: -0.030
local terms energy: -70.978882
where:
bonds (distance) C4'-P energy: -18.729
bonds (distance) P-C4' energy: -15.822
flat angles C4'-P-C4' energy: -14.625
flat angles P-C4'-P energy: -12.266
tors. eta vs tors. theta energy: -9.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -90.786724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.786724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.786724 (E_RNA)
where:
Base-Base interactions energy: -27.937
where: short stacking energy: -21.493
Base-Backbone interact. energy: -0.492
local terms energy: -62.357780
where:
bonds (distance) C4'-P energy: -17.458
bonds (distance) P-C4' energy: -19.838
flat angles C4'-P-C4' energy: -16.232
flat angles P-C4'-P energy: -10.070
tors. eta vs tors. theta energy: 1.239
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: 4
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -85.428341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.428341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.428341 (E_RNA)
where:
Base-Base interactions energy: -32.850
where: short stacking energy: -32.850
Base-Backbone interact. energy: 0.325
local terms energy: -52.903604
where:
bonds (distance) C4'-P energy: -12.372
bonds (distance) P-C4' energy: -15.307
flat angles C4'-P-C4' energy: -17.226
flat angles P-C4'-P energy: -5.924
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: 1, replica: 10
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -292.574293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.574293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.574293 (E_RNA)
where:
Base-Base interactions energy: -197.692
where: short stacking energy: -78.871
Base-Backbone interact. energy: -0.089
local terms energy: -94.793165
where:
bonds (distance) C4'-P energy: -21.101
bonds (distance) P-C4' energy: -20.757
flat angles C4'-P-C4' energy: -18.103
flat angles P-C4'-P energy: -12.609
tors. eta vs tors. theta energy: -22.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -284.748275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.748275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.748275 (E_RNA)
where:
Base-Base interactions energy: -188.877
where: short stacking energy: -79.408
Base-Backbone interact. energy: -0.673
local terms energy: -95.197620
where:
bonds (distance) C4'-P energy: -19.499
bonds (distance) P-C4' energy: -19.305
flat angles C4'-P-C4' energy: -17.921
flat angles P-C4'-P energy: -12.582
tors. eta vs tors. theta energy: -25.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -281.353834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.353834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.353834 (E_RNA)
where:
Base-Base interactions energy: -197.074
where: short stacking energy: -78.428
Base-Backbone interact. energy: -0.796
local terms energy: -83.483420
where:
bonds (distance) C4'-P energy: -15.949
bonds (distance) P-C4' energy: -16.900
flat angles C4'-P-C4' energy: -15.178
flat angles P-C4'-P energy: -9.867
tors. eta vs tors. theta energy: -25.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -275.649740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.649740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.649740 (E_RNA)
where:
Base-Base interactions energy: -183.727
where: short stacking energy: -78.604
Base-Backbone interact. energy: -1.269
local terms energy: -90.653656
where:
bonds (distance) C4'-P energy: -19.424
bonds (distance) P-C4' energy: -20.622
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -7.726
tors. eta vs tors. theta energy: -28.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -272.673808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.673808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.673808 (E_RNA)
where:
Base-Base interactions energy: -179.840
where: short stacking energy: -71.640
Base-Backbone interact. energy: -1.787
local terms energy: -91.047267
where:
bonds (distance) C4'-P energy: -13.255
bonds (distance) P-C4' energy: -20.823
flat angles C4'-P-C4' energy: -17.258
flat angles P-C4'-P energy: -14.996
tors. eta vs tors. theta energy: -24.715
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: 9
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -267.155830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.155830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.155830 (E_RNA)
where:
Base-Base interactions energy: -180.784
where: short stacking energy: -73.135
Base-Backbone interact. energy: -2.347
local terms energy: -84.025277
where:
bonds (distance) C4'-P energy: -19.076
bonds (distance) P-C4' energy: -16.423
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -13.922
tors. eta vs tors. theta energy: -19.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -222.115543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.115543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.115543 (E_RNA)
where:
Base-Base interactions energy: -154.446
where: short stacking energy: -64.658
Base-Backbone interact. energy: -0.294
local terms energy: -67.376247
where:
bonds (distance) C4'-P energy: -15.920
bonds (distance) P-C4' energy: -13.928
flat angles C4'-P-C4' energy: -14.809
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: -11.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -103.917825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.917825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.917825 (E_RNA)
where:
Base-Base interactions energy: -34.153
where: short stacking energy: -34.153
Base-Backbone interact. energy: -0.196
local terms energy: -69.568658
where:
bonds (distance) C4'-P energy: -17.635
bonds (distance) P-C4' energy: -21.282
flat angles C4'-P-C4' energy: -13.591
flat angles P-C4'-P energy: -11.178
tors. eta vs tors. theta energy: -5.882
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: 6
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -92.600203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.600203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.600203 (E_RNA)
where:
Base-Base interactions energy: -36.109
where: short stacking energy: -36.109
Base-Backbone interact. energy: -0.280
local terms energy: -56.211261
where:
bonds (distance) C4'-P energy: -9.394
bonds (distance) P-C4' energy: -18.563
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -12.064
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: 10, replica: 4
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -90.112342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.112342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.112342 (E_RNA)
where:
Base-Base interactions energy: -29.915
where: short stacking energy: -23.441
Base-Backbone interact. energy: -0.174
local terms energy: -60.022884
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -18.425
flat angles C4'-P-C4' energy: -16.087
flat angles P-C4'-P energy: -7.951
tors. eta vs tors. theta energy: -1.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -291.628602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.628602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.628602 (E_RNA)
where:
Base-Base interactions energy: -208.780
where: short stacking energy: -76.286
Base-Backbone interact. energy: -0.679
local terms energy: -82.169741
where:
bonds (distance) C4'-P energy: -17.988
bonds (distance) P-C4' energy: -16.673
flat angles C4'-P-C4' energy: -14.225
flat angles P-C4'-P energy: -13.028
tors. eta vs tors. theta energy: -20.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -285.428843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.428843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.428843 (E_RNA)
where:
Base-Base interactions energy: -194.278
where: short stacking energy: -85.972
Base-Backbone interact. energy: -0.722
local terms energy: -90.429567
where:
bonds (distance) C4'-P energy: -18.257
bonds (distance) P-C4' energy: -16.405
flat angles C4'-P-C4' energy: -17.927
flat angles P-C4'-P energy: -10.062
tors. eta vs tors. theta energy: -27.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -286.466888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.466888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.466888 (E_RNA)
where:
Base-Base interactions energy: -198.678
where: short stacking energy: -83.576
Base-Backbone interact. energy: -0.022
local terms energy: -87.767082
where:
bonds (distance) C4'-P energy: -16.511
bonds (distance) P-C4' energy: -16.796
flat angles C4'-P-C4' energy: -16.766
flat angles P-C4'-P energy: -11.554
tors. eta vs tors. theta energy: -26.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -269.855583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.855583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.855583 (E_RNA)
where:
Base-Base interactions energy: -186.477
where: short stacking energy: -69.470
Base-Backbone interact. energy: -0.954
local terms energy: -82.424607
where:
bonds (distance) C4'-P energy: -15.574
bonds (distance) P-C4' energy: -18.097
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: -12.751
tors. eta vs tors. theta energy: -20.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -285.599314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.599314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.599314 (E_RNA)
where:
Base-Base interactions energy: -190.404
where: short stacking energy: -79.522
Base-Backbone interact. energy: -0.058
local terms energy: -95.137826
where:
bonds (distance) C4'-P energy: -12.879
bonds (distance) P-C4' energy: -20.158
flat angles C4'-P-C4' energy: -19.978
flat angles P-C4'-P energy: -15.412
tors. eta vs tors. theta energy: -26.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -267.182461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.182461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.182461 (E_RNA)
where:
Base-Base interactions energy: -178.566
where: short stacking energy: -71.788
Base-Backbone interact. energy: -0.536
local terms energy: -88.080513
where:
bonds (distance) C4'-P energy: -15.984
bonds (distance) P-C4' energy: -19.896
flat angles C4'-P-C4' energy: -17.545
flat angles P-C4'-P energy: -11.170
tors. eta vs tors. theta energy: -23.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -223.606700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.606700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.606700 (E_RNA)
where:
Base-Base interactions energy: -147.338
where: short stacking energy: -65.187
Base-Backbone interact. energy: -1.268
local terms energy: -75.000926
where:
bonds (distance) C4'-P energy: -17.888
bonds (distance) P-C4' energy: -14.835
flat angles C4'-P-C4' energy: -14.318
flat angles P-C4'-P energy: -12.646
tors. eta vs tors. theta energy: -15.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -93.853571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.853571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.853571 (E_RNA)
where:
Base-Base interactions energy: -32.476
where: short stacking energy: -29.102
Base-Backbone interact. energy: -0.497
local terms energy: -60.881171
where:
bonds (distance) C4'-P energy: -17.678
bonds (distance) P-C4' energy: -17.885
flat angles C4'-P-C4' energy: -17.969
flat angles P-C4'-P energy: -5.035
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: 9, replica: 6
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -97.936257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.936257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.936257 (E_RNA)
where:
Base-Base interactions energy: -44.848
where: short stacking energy: -44.848
Base-Backbone interact. energy: 0.746
local terms energy: -53.833607
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -12.309
flat angles C4'-P-C4' energy: -13.081
flat angles P-C4'-P energy: -5.031
tors. eta vs tors. theta energy: -10.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -92.447611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.447611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.447611 (E_RNA)
where:
Base-Base interactions energy: -27.541
where: short stacking energy: -21.028
Base-Backbone interact. energy: -0.234
local terms energy: -64.672715
where:
bonds (distance) C4'-P energy: -19.640
bonds (distance) P-C4' energy: -17.562
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -13.516
tors. eta vs tors. theta energy: 1.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -297.125374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.125374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.125374 (E_RNA)
where:
Base-Base interactions energy: -197.961
where: short stacking energy: -75.306
Base-Backbone interact. energy: -0.055
local terms energy: -99.109099
where:
bonds (distance) C4'-P energy: -20.380
bonds (distance) P-C4' energy: -19.270
flat angles C4'-P-C4' energy: -21.283
flat angles P-C4'-P energy: -14.406
tors. eta vs tors. theta energy: -23.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -292.284679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.284679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.284679 (E_RNA)
where:
Base-Base interactions energy: -194.984
where: short stacking energy: -73.228
Base-Backbone interact. energy: -0.101
local terms energy: -97.199245
where:
bonds (distance) C4'-P energy: -15.682
bonds (distance) P-C4' energy: -18.134
flat angles C4'-P-C4' energy: -22.930
flat angles P-C4'-P energy: -16.602
tors. eta vs tors. theta energy: -23.851
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: 1
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -286.839987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.839987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.839987 (E_RNA)
where:
Base-Base interactions energy: -189.631
where: short stacking energy: -87.162
Base-Backbone interact. energy: -1.951
local terms energy: -95.257496
where:
bonds (distance) C4'-P energy: -17.376
bonds (distance) P-C4' energy: -18.909
flat angles C4'-P-C4' energy: -17.272
flat angles P-C4'-P energy: -14.023
tors. eta vs tors. theta energy: -27.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -271.828919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.828919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.828919 (E_RNA)
where:
Base-Base interactions energy: -179.252
where: short stacking energy: -83.437
Base-Backbone interact. energy: -0.058
local terms energy: -92.518244
where:
bonds (distance) C4'-P energy: -16.996
bonds (distance) P-C4' energy: -18.497
flat angles C4'-P-C4' energy: -20.181
flat angles P-C4'-P energy: -12.142
tors. eta vs tors. theta energy: -24.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -261.724122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.724122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.724122 (E_RNA)
where:
Base-Base interactions energy: -172.210
where: short stacking energy: -69.360
Base-Backbone interact. energy: -1.326
local terms energy: -88.187391
where:
bonds (distance) C4'-P energy: -19.776
bonds (distance) P-C4' energy: -17.459
flat angles C4'-P-C4' energy: -20.443
flat angles P-C4'-P energy: -9.502
tors. eta vs tors. theta energy: -21.008
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: 7
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -268.430261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.430261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.430261 (E_RNA)
where:
Base-Base interactions energy: -185.643
where: short stacking energy: -71.341
Base-Backbone interact. energy: 0.473
local terms energy: -83.260197
where:
bonds (distance) C4'-P energy: -15.628
bonds (distance) P-C4' energy: -15.769
flat angles C4'-P-C4' energy: -19.052
flat angles P-C4'-P energy: -11.617
tors. eta vs tors. theta energy: -21.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -214.544300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.544300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.544300 (E_RNA)
where:
Base-Base interactions energy: -142.783
where: short stacking energy: -59.948
Base-Backbone interact. energy: -0.232
local terms energy: -71.529096
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -19.048
flat angles C4'-P-C4' energy: -16.316
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: -13.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -119.041392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.041392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.041392 (E_RNA)
where:
Base-Base interactions energy: -47.999
where: short stacking energy: -32.770
Base-Backbone interact. energy: -0.546
local terms energy: -70.495706
where:
bonds (distance) C4'-P energy: -17.035
bonds (distance) P-C4' energy: -13.537
flat angles C4'-P-C4' energy: -20.086
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -7.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -102.633369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.633369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.633369 (E_RNA)
where:
Base-Base interactions energy: -42.579
where: short stacking energy: -42.579
Base-Backbone interact. energy: -0.177
local terms energy: -59.877799
where:
bonds (distance) C4'-P energy: -15.558
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -6.020
flat angles P-C4'-P energy: -11.616
tors. eta vs tors. theta energy: -10.570
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -86.598214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.598214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.598214 (E_RNA)
where:
Base-Base interactions energy: -30.467
where: short stacking energy: -30.567
Base-Backbone interact. energy: 0.541
local terms energy: -56.672193
where:
bonds (distance) C4'-P energy: -5.344
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -22.669
flat angles P-C4'-P energy: -10.909
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: 1, replica: 5
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -304.287471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.287471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.287471 (E_RNA)
where:
Base-Base interactions energy: -207.549
where: short stacking energy: -74.633
Base-Backbone interact. energy: -0.494
local terms energy: -96.244886
where:
bonds (distance) C4'-P energy: -19.225
bonds (distance) P-C4' energy: -19.355
flat angles C4'-P-C4' energy: -21.388
flat angles P-C4'-P energy: -13.455
tors. eta vs tors. theta energy: -22.821
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: 10
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -291.237321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.237321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.237321 (E_RNA)
where:
Base-Base interactions energy: -203.834
where: short stacking energy: -75.899
Base-Backbone interact. energy: -0.150
local terms energy: -87.253402
where:
bonds (distance) C4'-P energy: -15.691
bonds (distance) P-C4' energy: -21.046
flat angles C4'-P-C4' energy: -15.266
flat angles P-C4'-P energy: -15.581
tors. eta vs tors. theta energy: -19.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -282.123629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.123629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.123629 (E_RNA)
where:
Base-Base interactions energy: -185.617
where: short stacking energy: -73.888
Base-Backbone interact. energy: -0.195
local terms energy: -96.311575
where:
bonds (distance) C4'-P energy: -18.021
bonds (distance) P-C4' energy: -19.103
flat angles C4'-P-C4' energy: -21.508
flat angles P-C4'-P energy: -11.695
tors. eta vs tors. theta energy: -25.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -284.370424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.370424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.370424 (E_RNA)
where:
Base-Base interactions energy: -184.607
where: short stacking energy: -75.206
Base-Backbone interact. energy: -0.620
local terms energy: -99.143229
where:
bonds (distance) C4'-P energy: -21.287
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -20.991
flat angles P-C4'-P energy: -16.405
tors. eta vs tors. theta energy: -24.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -278.922233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.922233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.922233 (E_RNA)
where:
Base-Base interactions energy: -187.431
where: short stacking energy: -77.533
Base-Backbone interact. energy: 0.044
local terms energy: -91.536098
where:
bonds (distance) C4'-P energy: -15.066
bonds (distance) P-C4' energy: -17.819
flat angles C4'-P-C4' energy: -20.875
flat angles P-C4'-P energy: -11.988
tors. eta vs tors. theta energy: -25.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -262.102168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.102168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.102168 (E_RNA)
where:
Base-Base interactions energy: -175.193
where: short stacking energy: -65.632
Base-Backbone interact. energy: -0.463
local terms energy: -86.446090
where:
bonds (distance) C4'-P energy: -18.463
bonds (distance) P-C4' energy: -20.087
flat angles C4'-P-C4' energy: -17.059
flat angles P-C4'-P energy: -11.807
tors. eta vs tors. theta energy: -19.030
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: 110
Temperature: 1.200000
Total energy: -238.996291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.996291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.996291 (E_RNA)
where:
Base-Base interactions energy: -166.562
where: short stacking energy: -68.076
Base-Backbone interact. energy: -0.062
local terms energy: -72.371941
where:
bonds (distance) C4'-P energy: -13.019
bonds (distance) P-C4' energy: -13.519
flat angles C4'-P-C4' energy: -15.182
flat angles P-C4'-P energy: -11.569
tors. eta vs tors. theta energy: -19.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -106.654899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.654899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.654899 (E_RNA)
where:
Base-Base interactions energy: -39.421
where: short stacking energy: -39.421
Base-Backbone interact. energy: -0.118
local terms energy: -67.116072
where:
bonds (distance) C4'-P energy: -15.686
bonds (distance) P-C4' energy: -15.665
flat angles C4'-P-C4' energy: -18.586
flat angles P-C4'-P energy: -8.525
tors. eta vs tors. theta energy: -8.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -100.120178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.120178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.120178 (E_RNA)
where:
Base-Base interactions energy: -37.141
where: short stacking energy: -32.173
Base-Backbone interact. energy: -0.450
local terms energy: -62.529238
where:
bonds (distance) C4'-P energy: -17.897
bonds (distance) P-C4' energy: -14.691
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -10.393
tors. eta vs tors. theta energy: -3.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -87.040347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.040347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.040347 (E_RNA)
where:
Base-Base interactions energy: -19.133
where: short stacking energy: -14.420
Base-Backbone interact. energy: 0.624
local terms energy: -68.531760
where:
bonds (distance) C4'-P energy: -20.752
bonds (distance) P-C4' energy: -21.655
flat angles C4'-P-C4' energy: -12.330
flat angles P-C4'-P energy: -14.037
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: 1, replica: 5
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -287.969713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.969713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.969713 (E_RNA)
where:
Base-Base interactions energy: -202.930
where: short stacking energy: -77.489
Base-Backbone interact. energy: -0.098
local terms energy: -84.941202
where:
bonds (distance) C4'-P energy: -19.917
bonds (distance) P-C4' energy: -15.943
flat angles C4'-P-C4' energy: -16.463
flat angles P-C4'-P energy: -12.568
tors. eta vs tors. theta energy: -20.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -285.877889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.877889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.877889 (E_RNA)
where:
Base-Base interactions energy: -196.690
where: short stacking energy: -73.887
Base-Backbone interact. energy: -0.009
local terms energy: -89.179735
where:
bonds (distance) C4'-P energy: -18.365
bonds (distance) P-C4' energy: -18.513
flat angles C4'-P-C4' energy: -18.266
flat angles P-C4'-P energy: -12.501
tors. eta vs tors. theta energy: -21.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -286.340732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.340732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.340732 (E_RNA)
where:
Base-Base interactions energy: -194.636
where: short stacking energy: -80.627
Base-Backbone interact. energy: -0.105
local terms energy: -91.599487
where:
bonds (distance) C4'-P energy: -19.677
bonds (distance) P-C4' energy: -19.964
flat angles C4'-P-C4' energy: -16.585
flat angles P-C4'-P energy: -14.194
tors. eta vs tors. theta energy: -21.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -284.901478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.901478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.901478 (E_RNA)
where:
Base-Base interactions energy: -196.432
where: short stacking energy: -80.759
Base-Backbone interact. energy: -0.298
local terms energy: -88.170977
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -16.345
flat angles C4'-P-C4' energy: -18.085
flat angles P-C4'-P energy: -12.382
tors. eta vs tors. theta energy: -25.585
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: 7
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -257.989324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.989324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.989324 (E_RNA)
where:
Base-Base interactions energy: -177.720
where: short stacking energy: -62.043
Base-Backbone interact. energy: -0.053
local terms energy: -80.216763
where:
bonds (distance) C4'-P energy: -14.122
bonds (distance) P-C4' energy: -18.916
flat angles C4'-P-C4' energy: -10.775
flat angles P-C4'-P energy: -13.440
tors. eta vs tors. theta energy: -22.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -263.372282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.372282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.372282 (E_RNA)
where:
Base-Base interactions energy: -175.081
where: short stacking energy: -65.849
Base-Backbone interact. energy: -0.383
local terms energy: -87.908167
where:
bonds (distance) C4'-P energy: -16.080
bonds (distance) P-C4' energy: -19.344
flat angles C4'-P-C4' energy: -19.269
flat angles P-C4'-P energy: -12.242
tors. eta vs tors. theta energy: -20.973
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: 2
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -251.636988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.636988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.636988 (E_RNA)
where:
Base-Base interactions energy: -174.954
where: short stacking energy: -71.508
Base-Backbone interact. energy: -0.129
local terms energy: -76.554305
where:
bonds (distance) C4'-P energy: -14.439
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -17.543
flat angles P-C4'-P energy: -3.197
tors. eta vs tors. theta energy: -25.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -100.176837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.176837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.176837 (E_RNA)
where:
Base-Base interactions energy: -37.852
where: short stacking energy: -37.666
Base-Backbone interact. energy: -0.233
local terms energy: -62.091940
where:
bonds (distance) C4'-P energy: -12.076
bonds (distance) P-C4' energy: -19.340
flat angles C4'-P-C4' energy: -13.351
flat angles P-C4'-P energy: -12.206
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: 9, replica: 6
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -95.164357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.164357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.164357 (E_RNA)
where:
Base-Base interactions energy: -33.136
where: short stacking energy: -32.951
Base-Backbone interact. energy: -0.190
local terms energy: -61.838881
where:
bonds (distance) C4'-P energy: -16.490
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -12.867
flat angles P-C4'-P energy: -11.073
tors. eta vs tors. theta energy: -4.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -98.113859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.113859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.113859 (E_RNA)
where:
Base-Base interactions energy: -45.010
where: short stacking energy: -39.610
Base-Backbone interact. energy: -0.180
local terms energy: -52.923496
where:
bonds (distance) C4'-P energy: -11.036
bonds (distance) P-C4' energy: -14.642
flat angles C4'-P-C4' energy: -14.295
flat angles P-C4'-P energy: -8.883
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: 1, replica: 9
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -287.005597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.005597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.005597 (E_RNA)
where:
Base-Base interactions energy: -192.894
where: short stacking energy: -77.461
Base-Backbone interact. energy: -0.843
local terms energy: -93.268496
where:
bonds (distance) C4'-P energy: -19.237
bonds (distance) P-C4' energy: -18.958
flat angles C4'-P-C4' energy: -20.084
flat angles P-C4'-P energy: -12.970
tors. eta vs tors. theta energy: -22.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -287.863086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.863086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.863086 (E_RNA)
where:
Base-Base interactions energy: -188.529
where: short stacking energy: -72.513
Base-Backbone interact. energy: -0.759
local terms energy: -98.575077
where:
bonds (distance) C4'-P energy: -19.680
bonds (distance) P-C4' energy: -20.160
flat angles C4'-P-C4' energy: -20.682
flat angles P-C4'-P energy: -14.658
tors. eta vs tors. theta energy: -23.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -287.847145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.847145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.847145 (E_RNA)
where:
Base-Base interactions energy: -196.644
where: short stacking energy: -81.601
Base-Backbone interact. energy: -0.038
local terms energy: -91.165516
where:
bonds (distance) C4'-P energy: -16.862
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -18.248
flat angles P-C4'-P energy: -16.120
tors. eta vs tors. theta energy: -22.888
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: 4, replica: 1
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -282.810658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.810658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.810658 (E_RNA)
where:
Base-Base interactions energy: -195.515
where: short stacking energy: -82.082
Base-Backbone interact. energy: -0.181
local terms energy: -87.114309
where:
bonds (distance) C4'-P energy: -17.096
bonds (distance) P-C4' energy: -17.890
flat angles C4'-P-C4' energy: -16.371
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -24.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -275.357477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.357477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.357477 (E_RNA)
where:
Base-Base interactions energy: -189.189
where: short stacking energy: -77.324
Base-Backbone interact. energy: -0.004
local terms energy: -86.163663
where:
bonds (distance) C4'-P energy: -14.633
bonds (distance) P-C4' energy: -15.901
flat angles C4'-P-C4' energy: -18.110
flat angles P-C4'-P energy: -13.371
tors. eta vs tors. theta energy: -24.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -266.382538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.382538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.382538 (E_RNA)
where:
Base-Base interactions energy: -184.126
where: short stacking energy: -75.831
Base-Backbone interact. energy: -0.390
local terms energy: -81.867316
where:
bonds (distance) C4'-P energy: -16.916
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -11.263
flat angles P-C4'-P energy: -13.668
tors. eta vs tors. theta energy: -22.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -263.780937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.780937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.780937 (E_RNA)
where:
Base-Base interactions energy: -186.288
where: short stacking energy: -74.387
Base-Backbone interact. energy: -0.053
local terms energy: -77.440883
where:
bonds (distance) C4'-P energy: -12.005
bonds (distance) P-C4' energy: -14.310
flat angles C4'-P-C4' energy: -16.908
flat angles P-C4'-P energy: -10.052
tors. eta vs tors. theta energy: -24.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -92.475751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.475751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.475751 (E_RNA)
where:
Base-Base interactions energy: -35.158
where: short stacking energy: -35.258
Base-Backbone interact. energy: -0.195
local terms energy: -57.122486
where:
bonds (distance) C4'-P energy: -16.657
bonds (distance) P-C4' energy: -16.765
flat angles C4'-P-C4' energy: -15.125
flat angles P-C4'-P energy: -9.829
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: 8
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -92.831307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.831307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.831307 (E_RNA)
where:
Base-Base interactions energy: -40.523
where: short stacking energy: -35.014
Base-Backbone interact. energy: -0.163
local terms energy: -52.144675
where:
bonds (distance) C4'-P energy: -10.213
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -15.371
flat angles P-C4'-P energy: -10.689
tors. eta vs tors. theta energy: -1.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -86.855547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.855547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.855547 (E_RNA)
where:
Base-Base interactions energy: -33.653
where: short stacking energy: -10.257
Base-Backbone interact. energy: -0.808
local terms energy: -52.393859
where:
bonds (distance) C4'-P energy: -15.835
bonds (distance) P-C4' energy: -20.875
flat angles C4'-P-C4' energy: -14.577
flat angles P-C4'-P energy: -8.678
tors. eta vs tors. theta energy: 7.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -290.437376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.437376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.437376 (E_RNA)
where:
Base-Base interactions energy: -198.557
where: short stacking energy: -77.393
Base-Backbone interact. energy: -0.321
local terms energy: -91.559549
where:
bonds (distance) C4'-P energy: -19.452
bonds (distance) P-C4' energy: -15.017
flat angles C4'-P-C4' energy: -20.634
flat angles P-C4'-P energy: -13.371
tors. eta vs tors. theta energy: -23.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -281.906634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.906634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.906634 (E_RNA)
where:
Base-Base interactions energy: -189.202
where: short stacking energy: -70.615
Base-Backbone interact. energy: -1.158
local terms energy: -91.547394
where:
bonds (distance) C4'-P energy: -20.413
bonds (distance) P-C4' energy: -19.086
flat angles C4'-P-C4' energy: -16.729
flat angles P-C4'-P energy: -14.466
tors. eta vs tors. theta energy: -20.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -285.412749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.412749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.412749 (E_RNA)
where:
Base-Base interactions energy: -196.343
where: short stacking energy: -82.135
Base-Backbone interact. energy: -1.122
local terms energy: -87.948146
where:
bonds (distance) C4'-P energy: -16.129
bonds (distance) P-C4' energy: -15.663
flat angles C4'-P-C4' energy: -18.745
flat angles P-C4'-P energy: -10.988
tors. eta vs tors. theta energy: -26.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -282.524081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.524081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.524081 (E_RNA)
where:
Base-Base interactions energy: -190.121
where: short stacking energy: -78.062
Base-Backbone interact. energy: -0.050
local terms energy: -92.353020
where:
bonds (distance) C4'-P energy: -18.399
bonds (distance) P-C4' energy: -20.390
flat angles C4'-P-C4' energy: -15.632
flat angles P-C4'-P energy: -11.891
tors. eta vs tors. theta energy: -26.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -273.135483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.135483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.135483 (E_RNA)
where:
Base-Base interactions energy: -186.420
where: short stacking energy: -77.133
Base-Backbone interact. energy: -0.017
local terms energy: -86.698397
where:
bonds (distance) C4'-P energy: -13.306
bonds (distance) P-C4' energy: -17.798
flat angles C4'-P-C4' energy: -19.381
flat angles P-C4'-P energy: -14.244
tors. eta vs tors. theta energy: -21.970
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: 7
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -265.652230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.652230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.652230 (E_RNA)
where:
Base-Base interactions energy: -173.815
where: short stacking energy: -70.380
Base-Backbone interact. energy: -0.184
local terms energy: -91.652932
where:
bonds (distance) C4'-P energy: -21.246
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -19.742
flat angles P-C4'-P energy: -10.565
tors. eta vs tors. theta energy: -24.363
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: 2
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -247.957637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.957637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.957637 (E_RNA)
where:
Base-Base interactions energy: -166.579
where: short stacking energy: -60.091
Base-Backbone interact. energy: -0.616
local terms energy: -80.761864
where:
bonds (distance) C4'-P energy: -10.891
bonds (distance) P-C4' energy: -17.871
flat angles C4'-P-C4' energy: -19.173
flat angles P-C4'-P energy: -10.905
tors. eta vs tors. theta energy: -21.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -92.720092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.720092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.720092 (E_RNA)
where:
Base-Base interactions energy: -35.933
where: short stacking energy: -35.510
Base-Backbone interact. energy: -0.145
local terms energy: -56.642089
where:
bonds (distance) C4'-P energy: -15.404
bonds (distance) P-C4' energy: -11.684
flat angles C4'-P-C4' energy: -13.157
flat angles P-C4'-P energy: -11.219
tors. eta vs tors. theta energy: -5.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -86.616350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.616350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.616350 (E_RNA)
where:
Base-Base interactions energy: -32.538
where: short stacking energy: -31.243
Base-Backbone interact. energy: -0.228
local terms energy: -53.850679
where:
bonds (distance) C4'-P energy: -11.434
bonds (distance) P-C4' energy: -17.672
flat angles C4'-P-C4' energy: -13.988
flat angles P-C4'-P energy: -10.463
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: 6
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -85.723226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.723226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.723226 (E_RNA)
where:
Base-Base interactions energy: -25.644
where: short stacking energy: -21.459
Base-Backbone interact. energy: -0.091
local terms energy: -59.988876
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -17.205
flat angles P-C4'-P energy: -10.507
tors. eta vs tors. theta energy: -0.091
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: 9
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -291.053191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.053191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.053191 (E_RNA)
where:
Base-Base interactions energy: -200.452
where: short stacking energy: -74.713
Base-Backbone interact. energy: -0.152
local terms energy: -90.448907
where:
bonds (distance) C4'-P energy: -12.329
bonds (distance) P-C4' energy: -18.850
flat angles C4'-P-C4' energy: -19.498
flat angles P-C4'-P energy: -15.399
tors. eta vs tors. theta energy: -24.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -285.809549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.809549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.809549 (E_RNA)
where:
Base-Base interactions energy: -196.764
where: short stacking energy: -90.280
Base-Backbone interact. energy: -0.005
local terms energy: -89.040438
where:
bonds (distance) C4'-P energy: -17.235
bonds (distance) P-C4' energy: -18.406
flat angles C4'-P-C4' energy: -18.450
flat angles P-C4'-P energy: -8.402
tors. eta vs tors. theta energy: -26.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -287.803779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.803779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.803779 (E_RNA)
where:
Base-Base interactions energy: -193.719
where: short stacking energy: -78.569
Base-Backbone interact. energy: 2.239
local terms energy: -96.323822
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -20.672
flat angles C4'-P-C4' energy: -17.895
flat angles P-C4'-P energy: -15.468
tors. eta vs tors. theta energy: -27.021
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: 3
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -277.257126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.257126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.257126 (E_RNA)
where:
Base-Base interactions energy: -186.629
where: short stacking energy: -74.847
Base-Backbone interact. energy: -0.078
local terms energy: -90.550604
where:
bonds (distance) C4'-P energy: -17.077
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -20.429
flat angles P-C4'-P energy: -10.959
tors. eta vs tors. theta energy: -24.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -272.948719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.948719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.948719 (E_RNA)
where:
Base-Base interactions energy: -177.857
where: short stacking energy: -75.830
Base-Backbone interact. energy: 0.454
local terms energy: -95.545192
where:
bonds (distance) C4'-P energy: -18.099
bonds (distance) P-C4' energy: -18.040
flat angles C4'-P-C4' energy: -20.336
flat angles P-C4'-P energy: -12.009
tors. eta vs tors. theta energy: -27.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -249.443555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.443555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.443555 (E_RNA)
where:
Base-Base interactions energy: -159.241
where: short stacking energy: -72.408
Base-Backbone interact. energy: -0.027
local terms energy: -90.176240
where:
bonds (distance) C4'-P energy: -16.659
bonds (distance) P-C4' energy: -21.073
flat angles C4'-P-C4' energy: -18.881
flat angles P-C4'-P energy: -10.809
tors. eta vs tors. theta energy: -22.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -263.826093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.826093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.826093 (E_RNA)
where:
Base-Base interactions energy: -180.562
where: short stacking energy: -72.443
Base-Backbone interact. energy: -0.669
local terms energy: -82.595202
where:
bonds (distance) C4'-P energy: -13.575
bonds (distance) P-C4' energy: -15.262
flat angles C4'-P-C4' energy: -17.725
flat angles P-C4'-P energy: -11.155
tors. eta vs tors. theta energy: -24.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -99.476706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.476706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.476706 (E_RNA)
where:
Base-Base interactions energy: -35.604
where: short stacking energy: -35.396
Base-Backbone interact. energy: -0.148
local terms energy: -63.724630
where:
bonds (distance) C4'-P energy: -16.781
bonds (distance) P-C4' energy: -19.632
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -8.274
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: 9, replica: 6
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -103.291599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.291599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.291599 (E_RNA)
where:
Base-Base interactions energy: -35.368
where: short stacking energy: -35.368
Base-Backbone interact. energy: -0.154
local terms energy: -67.770113
where:
bonds (distance) C4'-P energy: -12.632
bonds (distance) P-C4' energy: -18.802
flat angles C4'-P-C4' energy: -16.205
flat angles P-C4'-P energy: -15.325
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: 10, replica: 8
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -82.348623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.348623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.348623 (E_RNA)
where:
Base-Base interactions energy: -20.029
where: short stacking energy: -16.740
Base-Backbone interact. energy: -0.122
local terms energy: -62.198251
where:
bonds (distance) C4'-P energy: -18.506
bonds (distance) P-C4' energy: -20.262
flat angles C4'-P-C4' energy: -13.083
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: 0.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -293.326957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.326957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.326957 (E_RNA)
where:
Base-Base interactions energy: -195.045
where: short stacking energy: -77.447
Base-Backbone interact. energy: -0.181
local terms energy: -98.101444
where:
bonds (distance) C4'-P energy: -20.219
bonds (distance) P-C4' energy: -18.677
flat angles C4'-P-C4' energy: -21.396
flat angles P-C4'-P energy: -14.127
tors. eta vs tors. theta energy: -23.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -289.067672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.067672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.067672 (E_RNA)
where:
Base-Base interactions energy: -197.716
where: short stacking energy: -82.009
Base-Backbone interact. energy: -0.097
local terms energy: -91.254209
where:
bonds (distance) C4'-P energy: -17.934
bonds (distance) P-C4' energy: -17.418
flat angles C4'-P-C4' energy: -19.521
flat angles P-C4'-P energy: -8.363
tors. eta vs tors. theta energy: -28.018
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: 10
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -281.904787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.904787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.904787 (E_RNA)
where:
Base-Base interactions energy: -195.506
where: short stacking energy: -77.376
Base-Backbone interact. energy: -0.017
local terms energy: -86.381874
where:
bonds (distance) C4'-P energy: -17.294
bonds (distance) P-C4' energy: -12.343
flat angles C4'-P-C4' energy: -20.710
flat angles P-C4'-P energy: -15.360
tors. eta vs tors. theta energy: -20.675
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: 115
Temperature: 1.050000
Total energy: -280.496244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.496244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.496244 (E_RNA)
where:
Base-Base interactions energy: -194.710
where: short stacking energy: -80.905
Base-Backbone interact. energy: -0.815
local terms energy: -84.971332
where:
bonds (distance) C4'-P energy: -15.269
bonds (distance) P-C4' energy: -11.277
flat angles C4'-P-C4' energy: -20.641
flat angles P-C4'-P energy: -14.054
tors. eta vs tors. theta energy: -23.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -266.114825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.114825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.114825 (E_RNA)
where:
Base-Base interactions energy: -181.473
where: short stacking energy: -70.171
Base-Backbone interact. energy: -0.146
local terms energy: -84.495847
where:
bonds (distance) C4'-P energy: -16.850
bonds (distance) P-C4' energy: -19.545
flat angles C4'-P-C4' energy: -17.957
flat angles P-C4'-P energy: -12.900
tors. eta vs tors. theta energy: -17.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -276.529579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.529579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.529579 (E_RNA)
where:
Base-Base interactions energy: -192.502
where: short stacking energy: -67.223
Base-Backbone interact. energy: -0.846
local terms energy: -83.182432
where:
bonds (distance) C4'-P energy: -12.198
bonds (distance) P-C4' energy: -19.415
flat angles C4'-P-C4' energy: -16.360
flat angles P-C4'-P energy: -15.135
tors. eta vs tors. theta energy: -20.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -263.021251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.021251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.021251 (E_RNA)
where:
Base-Base interactions energy: -174.016
where: short stacking energy: -69.444
Base-Backbone interact. energy: 0.147
local terms energy: -89.152225
where:
bonds (distance) C4'-P energy: -18.845
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -16.580
flat angles P-C4'-P energy: -14.224
tors. eta vs tors. theta energy: -22.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -117.482278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.482278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.482278 (E_RNA)
where:
Base-Base interactions energy: -42.648
where: short stacking energy: -40.648
Base-Backbone interact. energy: -0.060
local terms energy: -74.774232
where:
bonds (distance) C4'-P energy: -16.134
bonds (distance) P-C4' energy: -16.888
flat angles C4'-P-C4' energy: -17.081
flat angles P-C4'-P energy: -14.331
tors. eta vs tors. theta energy: -10.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -101.727351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.727351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.727351 (E_RNA)
where:
Base-Base interactions energy: -36.986
where: short stacking energy: -36.986
Base-Backbone interact. energy: -0.038
local terms energy: -64.703556
where:
bonds (distance) C4'-P energy: -16.452
bonds (distance) P-C4' energy: -20.211
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -6.599
tors. eta vs tors. theta energy: -6.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -84.206268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.206268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.206268 (E_RNA)
where:
Base-Base interactions energy: -22.686
where: short stacking energy: -20.515
Base-Backbone interact. energy: -0.523
local terms energy: -60.997383
where:
bonds (distance) C4'-P energy: -12.788
bonds (distance) P-C4' energy: -20.753
flat angles C4'-P-C4' energy: -12.614
flat angles P-C4'-P energy: -13.611
tors. eta vs tors. theta energy: -1.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -292.277826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.277826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.277826 (E_RNA)
where:
Base-Base interactions energy: -198.170
where: short stacking energy: -83.586
Base-Backbone interact. energy: -0.257
local terms energy: -93.850552
where:
bonds (distance) C4'-P energy: -18.016
bonds (distance) P-C4' energy: -19.908
flat angles C4'-P-C4' energy: -17.908
flat angles P-C4'-P energy: -11.750
tors. eta vs tors. theta energy: -26.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -288.730924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.730924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.730924 (E_RNA)
where:
Base-Base interactions energy: -198.277
where: short stacking energy: -80.019
Base-Backbone interact. energy: -0.098
local terms energy: -90.355634
where:
bonds (distance) C4'-P energy: -17.417
bonds (distance) P-C4' energy: -16.084
flat angles C4'-P-C4' energy: -20.794
flat angles P-C4'-P energy: -15.301
tors. eta vs tors. theta energy: -20.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -279.038848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.038848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.038848 (E_RNA)
where:
Base-Base interactions energy: -192.378
where: short stacking energy: -71.735
Base-Backbone interact. energy: -0.769
local terms energy: -85.892073
where:
bonds (distance) C4'-P energy: -14.878
bonds (distance) P-C4' energy: -21.790
flat angles C4'-P-C4' energy: -11.289
flat angles P-C4'-P energy: -13.945
tors. eta vs tors. theta energy: -23.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -279.132874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.132874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.132874 (E_RNA)
where:
Base-Base interactions energy: -183.723
where: short stacking energy: -78.145
Base-Backbone interact. energy: -0.280
local terms energy: -95.129967
where:
bonds (distance) C4'-P energy: -21.963
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -16.692
flat angles P-C4'-P energy: -13.463
tors. eta vs tors. theta energy: -24.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -273.299500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.299500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.299500 (E_RNA)
where:
Base-Base interactions energy: -184.049
where: short stacking energy: -80.983
Base-Backbone interact. energy: -0.004
local terms energy: -89.246511
where:
bonds (distance) C4'-P energy: -17.475
bonds (distance) P-C4' energy: -17.911
flat angles C4'-P-C4' energy: -19.265
flat angles P-C4'-P energy: -7.425
tors. eta vs tors. theta energy: -27.170
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: 1
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -262.820631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.820631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.820631 (E_RNA)
where:
Base-Base interactions energy: -179.309
where: short stacking energy: -70.986
Base-Backbone interact. energy: -0.513
local terms energy: -82.998539
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -19.249
flat angles C4'-P-C4' energy: -15.641
flat angles P-C4'-P energy: -11.538
tors. eta vs tors. theta energy: -23.764
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: 2
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -254.708760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.708760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.708760 (E_RNA)
where:
Base-Base interactions energy: -177.839
where: short stacking energy: -75.908
Base-Backbone interact. energy: -0.072
local terms energy: -76.797686
where:
bonds (distance) C4'-P energy: -13.642
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -12.963
flat angles P-C4'-P energy: -12.708
tors. eta vs tors. theta energy: -19.932
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: 8, replica: 6
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -111.874656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.874656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.874656 (E_RNA)
where:
Base-Base interactions energy: -54.293
where: short stacking energy: -36.328
Base-Backbone interact. energy: -0.540
local terms energy: -57.041111
where:
bonds (distance) C4'-P energy: -14.177
bonds (distance) P-C4' energy: -18.105
flat angles C4'-P-C4' energy: -14.762
flat angles P-C4'-P energy: -5.761
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: 8
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -93.145461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.145461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.145461 (E_RNA)
where:
Base-Base interactions energy: -41.958
where: short stacking energy: -29.217
Base-Backbone interact. energy: 0.039
local terms energy: -51.227032
where:
bonds (distance) C4'-P energy: -11.293
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -13.465
flat angles P-C4'-P energy: -8.040
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: 10, replica: 4
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -99.085288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.085288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.085288 (E_RNA)
where:
Base-Base interactions energy: -38.245
where: short stacking energy: -38.245
Base-Backbone interact. energy: -0.245
local terms energy: -60.594937
where:
bonds (distance) C4'-P energy: -17.140
bonds (distance) P-C4' energy: -17.635
flat angles C4'-P-C4' energy: -16.208
flat angles P-C4'-P energy: -4.437
tors. eta vs tors. theta energy: -5.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -290.296962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.296962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.296962 (E_RNA)
where:
Base-Base interactions energy: -200.984
where: short stacking energy: -76.398
Base-Backbone interact. energy: -0.949
local terms energy: -88.363544
where:
bonds (distance) C4'-P energy: -17.929
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -17.125
flat angles P-C4'-P energy: -14.349
tors. eta vs tors. theta energy: -23.104
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: 9
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -290.410058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.410058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.410058 (E_RNA)
where:
Base-Base interactions energy: -193.729
where: short stacking energy: -76.434
Base-Backbone interact. energy: 0.087
local terms energy: -96.768174
where:
bonds (distance) C4'-P energy: -19.524
bonds (distance) P-C4' energy: -18.425
flat angles C4'-P-C4' energy: -20.378
flat angles P-C4'-P energy: -16.382
tors. eta vs tors. theta energy: -22.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -287.044541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.044541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.044541 (E_RNA)
where:
Base-Base interactions energy: -196.106
where: short stacking energy: -76.144
Base-Backbone interact. energy: 0.223
local terms energy: -91.161815
where:
bonds (distance) C4'-P energy: -17.803
bonds (distance) P-C4' energy: -16.032
flat angles C4'-P-C4' energy: -18.749
flat angles P-C4'-P energy: -16.192
tors. eta vs tors. theta energy: -22.387
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: 7
=====================================
Write number: 117
Temperature: 1.050000
Total energy: -275.739131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.739131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.739131 (E_RNA)
where:
Base-Base interactions energy: -184.393
where: short stacking energy: -83.873
Base-Backbone interact. energy: -0.200
local terms energy: -91.146783
where:
bonds (distance) C4'-P energy: -15.238
bonds (distance) P-C4' energy: -19.583
flat angles C4'-P-C4' energy: -18.954
flat angles P-C4'-P energy: -13.960
tors. eta vs tors. theta energy: -23.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -265.843205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.843205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.843205 (E_RNA)
where:
Base-Base interactions energy: -178.553
where: short stacking energy: -66.017
Base-Backbone interact. energy: -0.432
local terms energy: -86.858399
where:
bonds (distance) C4'-P energy: -19.661
bonds (distance) P-C4' energy: -15.411
flat angles C4'-P-C4' energy: -14.662
flat angles P-C4'-P energy: -15.004
tors. eta vs tors. theta energy: -22.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -265.665089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.665089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.665089 (E_RNA)
where:
Base-Base interactions energy: -187.473
where: short stacking energy: -75.119
Base-Backbone interact. energy: 0.226
local terms energy: -78.417523
where:
bonds (distance) C4'-P energy: -12.518
bonds (distance) P-C4' energy: -14.743
flat angles C4'-P-C4' energy: -18.731
flat angles P-C4'-P energy: -8.327
tors. eta vs tors. theta energy: -24.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -232.351293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.351293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.351293 (E_RNA)
where:
Base-Base interactions energy: -146.383
where: short stacking energy: -49.572
Base-Backbone interact. energy: -0.196
local terms energy: -85.772287
where:
bonds (distance) C4'-P energy: -17.493
bonds (distance) P-C4' energy: -18.549
flat angles C4'-P-C4' energy: -19.767
flat angles P-C4'-P energy: -13.443
tors. eta vs tors. theta energy: -16.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -105.400874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.400874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.400874 (E_RNA)
where:
Base-Base interactions energy: -44.065
where: short stacking energy: -28.954
Base-Backbone interact. energy: -0.117
local terms energy: -61.218413
where:
bonds (distance) C4'-P energy: -18.653
bonds (distance) P-C4' energy: -20.710
flat angles C4'-P-C4' energy: -7.865
flat angles P-C4'-P energy: -9.672
tors. eta vs tors. theta energy: -4.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -97.997959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.997959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.997959 (E_RNA)
where:
Base-Base interactions energy: -40.769
where: short stacking energy: -37.362
Base-Backbone interact. energy: -0.094
local terms energy: -57.134932
where:
bonds (distance) C4'-P energy: -13.036
bonds (distance) P-C4' energy: -19.065
flat angles C4'-P-C4' energy: -14.409
flat angles P-C4'-P energy: -3.847
tors. eta vs tors. theta energy: -6.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -105.084977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.084977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.084977 (E_RNA)
where:
Base-Base interactions energy: -49.077
where: short stacking energy: -38.948
Base-Backbone interact. energy: -0.296
local terms energy: -55.712168
where:
bonds (distance) C4'-P energy: -10.986
bonds (distance) P-C4' energy: -15.028
flat angles C4'-P-C4' energy: -12.230
flat angles P-C4'-P energy: -7.214
tors. eta vs tors. theta energy: -10.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -288.656209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.656209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.656209 (E_RNA)
where:
Base-Base interactions energy: -199.835
where: short stacking energy: -73.553
Base-Backbone interact. energy: -1.461
local terms energy: -87.359695
where:
bonds (distance) C4'-P energy: -18.962
bonds (distance) P-C4' energy: -18.358
flat angles C4'-P-C4' energy: -18.834
flat angles P-C4'-P energy: -12.249
tors. eta vs tors. theta energy: -18.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -292.045799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.045799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.045799 (E_RNA)
where:
Base-Base interactions energy: -195.196
where: short stacking energy: -87.367
Base-Backbone interact. energy: -0.294
local terms energy: -96.555485
where:
bonds (distance) C4'-P energy: -15.542
bonds (distance) P-C4' energy: -17.850
flat angles C4'-P-C4' energy: -21.985
flat angles P-C4'-P energy: -14.353
tors. eta vs tors. theta energy: -26.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -268.741019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.741019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.741019 (E_RNA)
where:
Base-Base interactions energy: -182.872
where: short stacking energy: -82.526
Base-Backbone interact. energy: -0.708
local terms energy: -85.160574
where:
bonds (distance) C4'-P energy: -20.164
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -12.953
flat angles P-C4'-P energy: -12.862
tors. eta vs tors. theta energy: -22.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -277.489437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.489437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.489437 (E_RNA)
where:
Base-Base interactions energy: -192.616
where: short stacking energy: -72.568
Base-Backbone interact. energy: -0.618
local terms energy: -84.255714
where:
bonds (distance) C4'-P energy: -16.622
bonds (distance) P-C4' energy: -15.519
flat angles C4'-P-C4' energy: -16.182
flat angles P-C4'-P energy: -12.269
tors. eta vs tors. theta energy: -23.664
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: 1
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -268.068096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.068096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.068096 (E_RNA)
where:
Base-Base interactions energy: -183.432
where: short stacking energy: -70.748
Base-Backbone interact. energy: 0.177
local terms energy: -84.813051
where:
bonds (distance) C4'-P energy: -16.166
bonds (distance) P-C4' energy: -17.000
flat angles C4'-P-C4' energy: -16.493
flat angles P-C4'-P energy: -14.431
tors. eta vs tors. theta energy: -20.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -244.822675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.822675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.822675 (E_RNA)
where:
Base-Base interactions energy: -161.907
where: short stacking energy: -66.193
Base-Backbone interact. energy: -0.211
local terms energy: -82.703990
where:
bonds (distance) C4'-P energy: -11.313
bonds (distance) P-C4' energy: -20.719
flat angles C4'-P-C4' energy: -19.426
flat angles P-C4'-P energy: -12.025
tors. eta vs tors. theta energy: -19.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -227.573917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.573917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.573917 (E_RNA)
where:
Base-Base interactions energy: -148.549
where: short stacking energy: -68.372
Base-Backbone interact. energy: -0.733
local terms energy: -78.292474
where:
bonds (distance) C4'-P energy: -13.119
bonds (distance) P-C4' energy: -13.538
flat angles C4'-P-C4' energy: -19.326
flat angles P-C4'-P energy: -11.110
tors. eta vs tors. theta energy: -21.200
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: 8, replica: 8
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -102.337330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.337330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.337330 (E_RNA)
where:
Base-Base interactions energy: -43.241
where: short stacking energy: -38.684
Base-Backbone interact. energy: -0.399
local terms energy: -58.697734
where:
bonds (distance) C4'-P energy: -16.328
bonds (distance) P-C4' energy: -17.561
flat angles C4'-P-C4' energy: -10.571
flat angles P-C4'-P energy: -11.520
tors. eta vs tors. theta energy: -2.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -101.136646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.136646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.136646 (E_RNA)
where:
Base-Base interactions energy: -39.895
where: short stacking energy: -24.221
Base-Backbone interact. energy: -0.319
local terms energy: -60.922428
where:
bonds (distance) C4'-P energy: -15.541
bonds (distance) P-C4' energy: -20.677
flat angles C4'-P-C4' energy: -14.595
flat angles P-C4'-P energy: -4.185
tors. eta vs tors. theta energy: -5.925
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: 6
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -100.180817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.180817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.180817 (E_RNA)
where:
Base-Base interactions energy: -44.777
where: short stacking energy: -22.670
Base-Backbone interact. energy: 0.806
local terms energy: -56.209988
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -18.539
flat angles C4'-P-C4' energy: -11.557
flat angles P-C4'-P energy: -8.243
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: 1, replica: 9
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -293.295988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.295988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.295988 (E_RNA)
where:
Base-Base interactions energy: -199.287
where: short stacking energy: -81.798
Base-Backbone interact. energy: -0.152
local terms energy: -93.856948
where:
bonds (distance) C4'-P energy: -15.807
bonds (distance) P-C4' energy: -17.093
flat angles C4'-P-C4' energy: -20.743
flat angles P-C4'-P energy: -16.115
tors. eta vs tors. theta energy: -24.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -280.933651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.933651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.933651 (E_RNA)
where:
Base-Base interactions energy: -184.781
where: short stacking energy: -78.465
Base-Backbone interact. energy: 0.138
local terms energy: -96.291004
where:
bonds (distance) C4'-P energy: -17.912
bonds (distance) P-C4' energy: -18.991
flat angles C4'-P-C4' energy: -20.575
flat angles P-C4'-P energy: -16.912
tors. eta vs tors. theta energy: -21.900
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: 5
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -283.490408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.490408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.490408 (E_RNA)
where:
Base-Base interactions energy: -193.819
where: short stacking energy: -71.153
Base-Backbone interact. energy: -0.177
local terms energy: -89.493836
where:
bonds (distance) C4'-P energy: -19.345
bonds (distance) P-C4' energy: -16.589
flat angles C4'-P-C4' energy: -18.707
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -24.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -274.180605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.180605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.180605 (E_RNA)
where:
Base-Base interactions energy: -190.974
where: short stacking energy: -79.448
Base-Backbone interact. energy: -0.562
local terms energy: -82.644257
where:
bonds (distance) C4'-P energy: -19.536
bonds (distance) P-C4' energy: -15.544
flat angles C4'-P-C4' energy: -18.391
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: -19.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -272.269758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.269758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.269758 (E_RNA)
where:
Base-Base interactions energy: -179.402
where: short stacking energy: -75.309
Base-Backbone interact. energy: -0.240
local terms energy: -92.627463
where:
bonds (distance) C4'-P energy: -13.935
bonds (distance) P-C4' energy: -16.456
flat angles C4'-P-C4' energy: -19.855
flat angles P-C4'-P energy: -15.628
tors. eta vs tors. theta energy: -26.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -242.739054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.739054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.739054 (E_RNA)
where:
Base-Base interactions energy: -164.099
where: short stacking energy: -65.097
Base-Backbone interact. energy: -0.351
local terms energy: -78.288899
where:
bonds (distance) C4'-P energy: -17.441
bonds (distance) P-C4' energy: -12.213
flat angles C4'-P-C4' energy: -17.794
flat angles P-C4'-P energy: -13.291
tors. eta vs tors. theta energy: -17.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -176.475454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.475454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.475454 (E_RNA)
where:
Base-Base interactions energy: -106.678
where: short stacking energy: -45.228
Base-Backbone interact. energy: -0.349
local terms energy: -69.448706
where:
bonds (distance) C4'-P energy: -17.852
bonds (distance) P-C4' energy: -17.254
flat angles C4'-P-C4' energy: -13.045
flat angles P-C4'-P energy: -14.538
tors. eta vs tors. theta energy: -6.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -97.873145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.873145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.873145 (E_RNA)
where:
Base-Base interactions energy: -33.674
where: short stacking energy: -33.674
Base-Backbone interact. energy: -0.048
local terms energy: -64.150724
where:
bonds (distance) C4'-P energy: -13.359
bonds (distance) P-C4' energy: -16.127
flat angles C4'-P-C4' energy: -12.852
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -11.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -89.249570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.249570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.249570 (E_RNA)
where:
Base-Base interactions energy: -30.213
where: short stacking energy: -30.213
Base-Backbone interact. energy: -0.119
local terms energy: -58.917631
where:
bonds (distance) C4'-P energy: -18.798
bonds (distance) P-C4' energy: -19.030
flat angles C4'-P-C4' energy: -8.250
flat angles P-C4'-P energy: -6.409
tors. eta vs tors. theta energy: -6.431
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: 10, replica: 6
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -86.300995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.300995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.300995 (E_RNA)
where:
Base-Base interactions energy: -36.093
where: short stacking energy: -36.293
Base-Backbone interact. energy: -0.202
local terms energy: -50.005332
where:
bonds (distance) C4'-P energy: -7.928
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: -9.098
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: 1, replica: 7
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -292.921807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.921807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.921807 (E_RNA)
where:
Base-Base interactions energy: -210.607
where: short stacking energy: -73.302
Base-Backbone interact. energy: -0.112
local terms energy: -82.202747
where:
bonds (distance) C4'-P energy: -16.625
bonds (distance) P-C4' energy: -13.937
flat angles C4'-P-C4' energy: -19.013
flat angles P-C4'-P energy: -13.465
tors. eta vs tors. theta energy: -19.162
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: 9
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -288.294779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.294779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.294779 (E_RNA)
where:
Base-Base interactions energy: -196.141
where: short stacking energy: -79.077
Base-Backbone interact. energy: -0.054
local terms energy: -92.099482
where:
bonds (distance) C4'-P energy: -16.489
bonds (distance) P-C4' energy: -19.664
flat angles C4'-P-C4' energy: -18.720
flat angles P-C4'-P energy: -13.743
tors. eta vs tors. theta energy: -23.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -280.665942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.665942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.665942 (E_RNA)
where:
Base-Base interactions energy: -184.906
where: short stacking energy: -79.149
Base-Backbone interact. energy: -1.178
local terms energy: -94.581527
where:
bonds (distance) C4'-P energy: -15.651
bonds (distance) P-C4' energy: -19.245
flat angles C4'-P-C4' energy: -19.852
flat angles P-C4'-P energy: -14.654
tors. eta vs tors. theta energy: -25.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -274.251969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.251969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.251969 (E_RNA)
where:
Base-Base interactions energy: -197.848
where: short stacking energy: -68.857
Base-Backbone interact. energy: -0.818
local terms energy: -75.585706
where:
bonds (distance) C4'-P energy: -10.016
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -14.819
flat angles P-C4'-P energy: -14.563
tors. eta vs tors. theta energy: -20.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -268.551510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.551510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.551510 (E_RNA)
where:
Base-Base interactions energy: -183.116
where: short stacking energy: -65.569
Base-Backbone interact. energy: -0.168
local terms energy: -85.267819
where:
bonds (distance) C4'-P energy: -15.441
bonds (distance) P-C4' energy: -20.590
flat angles C4'-P-C4' energy: -18.757
flat angles P-C4'-P energy: -12.070
tors. eta vs tors. theta energy: -18.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -261.907259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.907259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.907259 (E_RNA)
where:
Base-Base interactions energy: -181.728
where: short stacking energy: -74.573
Base-Backbone interact. energy: -0.024
local terms energy: -80.154757
where:
bonds (distance) C4'-P energy: -12.654
bonds (distance) P-C4' energy: -14.791
flat angles C4'-P-C4' energy: -16.600
flat angles P-C4'-P energy: -10.772
tors. eta vs tors. theta energy: -25.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -170.610610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.610610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.610610 (E_RNA)
where:
Base-Base interactions energy: -98.048
where: short stacking energy: -46.060
Base-Backbone interact. energy: -0.615
local terms energy: -71.947277
where:
bonds (distance) C4'-P energy: -16.891
bonds (distance) P-C4' energy: -13.061
flat angles C4'-P-C4' energy: -16.211
flat angles P-C4'-P energy: -12.771
tors. eta vs tors. theta energy: -13.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -103.801115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.801115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.801115 (E_RNA)
where:
Base-Base interactions energy: -41.562
where: short stacking energy: -38.527
Base-Backbone interact. energy: -0.202
local terms energy: -62.037766
where:
bonds (distance) C4'-P energy: -8.562
bonds (distance) P-C4' energy: -16.989
flat angles C4'-P-C4' energy: -15.113
flat angles P-C4'-P energy: -7.635
tors. eta vs tors. theta energy: -13.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -107.215046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.215046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.215046 (E_RNA)
where:
Base-Base interactions energy: -36.009
where: short stacking energy: -36.009
Base-Backbone interact. energy: 0.016
local terms energy: -71.222311
where:
bonds (distance) C4'-P energy: -14.577
bonds (distance) P-C4' energy: -18.878
flat angles C4'-P-C4' energy: -17.598
flat angles P-C4'-P energy: -10.152
tors. eta vs tors. theta energy: -10.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -94.159582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.159582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.159582 (E_RNA)
where:
Base-Base interactions energy: -37.282
where: short stacking energy: -33.125
Base-Backbone interact. energy: -0.087
local terms energy: -56.790856
where:
bonds (distance) C4'-P energy: -10.727
bonds (distance) P-C4' energy: -19.782
flat angles C4'-P-C4' energy: -14.763
flat angles P-C4'-P energy: -5.249
tors. eta vs tors. theta energy: -6.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -292.846252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.846252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.846252 (E_RNA)
where:
Base-Base interactions energy: -202.420
where: short stacking energy: -84.139
Base-Backbone interact. energy: -0.136
local terms energy: -90.290065
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -19.507
flat angles C4'-P-C4' energy: -20.358
flat angles P-C4'-P energy: -15.971
tors. eta vs tors. theta energy: -20.405
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: 2, replica: 1
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -290.927442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.927442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.927442 (E_RNA)
where:
Base-Base interactions energy: -202.474
where: short stacking energy: -83.664
Base-Backbone interact. energy: -0.015
local terms energy: -88.438319
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -15.713
flat angles C4'-P-C4' energy: -20.674
flat angles P-C4'-P energy: -12.588
tors. eta vs tors. theta energy: -24.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -284.780286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.780286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.780286 (E_RNA)
where:
Base-Base interactions energy: -193.154
where: short stacking energy: -81.554
Base-Backbone interact. energy: -0.876
local terms energy: -90.751016
where:
bonds (distance) C4'-P energy: -15.867
bonds (distance) P-C4' energy: -16.840
flat angles C4'-P-C4' energy: -18.958
flat angles P-C4'-P energy: -16.822
tors. eta vs tors. theta energy: -22.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -276.811005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.811005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.811005 (E_RNA)
where:
Base-Base interactions energy: -186.550
where: short stacking energy: -80.986
Base-Backbone interact. energy: -0.061
local terms energy: -90.200596
where:
bonds (distance) C4'-P energy: -15.603
bonds (distance) P-C4' energy: -19.287
flat angles C4'-P-C4' energy: -18.320
flat angles P-C4'-P energy: -11.255
tors. eta vs tors. theta energy: -25.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -268.605222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.605222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.605222 (E_RNA)
where:
Base-Base interactions energy: -183.582
where: short stacking energy: -78.211
Base-Backbone interact. energy: -0.719
local terms energy: -84.304289
where:
bonds (distance) C4'-P energy: -15.432
bonds (distance) P-C4' energy: -16.769
flat angles C4'-P-C4' energy: -13.227
flat angles P-C4'-P energy: -15.284
tors. eta vs tors. theta energy: -23.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -284.842533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.842533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.842533 (E_RNA)
where:
Base-Base interactions energy: -196.680
where: short stacking energy: -75.665
Base-Backbone interact. energy: -2.046
local terms energy: -86.116537
where:
bonds (distance) C4'-P energy: -11.815
bonds (distance) P-C4' energy: -19.621
flat angles C4'-P-C4' energy: -14.956
flat angles P-C4'-P energy: -12.517
tors. eta vs tors. theta energy: -27.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -170.907266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.907266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.907266 (E_RNA)
where:
Base-Base interactions energy: -96.026
where: short stacking energy: -45.084
Base-Backbone interact. energy: -0.373
local terms energy: -74.507995
where:
bonds (distance) C4'-P energy: -19.731
bonds (distance) P-C4' energy: -13.319
flat angles C4'-P-C4' energy: -17.658
flat angles P-C4'-P energy: -12.598
tors. eta vs tors. theta energy: -11.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -115.049349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.049349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.049349 (E_RNA)
where:
Base-Base interactions energy: -63.379
where: short stacking energy: -24.835
Base-Backbone interact. energy: -0.403
local terms energy: -51.267473
where:
bonds (distance) C4'-P energy: -18.505
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -11.977
flat angles P-C4'-P energy: -6.848
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: 4
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -100.012905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.012905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.012905 (E_RNA)
where:
Base-Base interactions energy: -30.515
where: short stacking energy: -27.549
Base-Backbone interact. energy: -0.010
local terms energy: -69.487712
where:
bonds (distance) C4'-P energy: -16.018
bonds (distance) P-C4' energy: -21.358
flat angles C4'-P-C4' energy: -12.899
flat angles P-C4'-P energy: -16.009
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: 10, replica: 8
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -84.832229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.832229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.832229 (E_RNA)
where:
Base-Base interactions energy: -28.327
where: short stacking energy: -26.334
Base-Backbone interact. energy: -1.004
local terms energy: -55.501808
where:
bonds (distance) C4'-P energy: -16.382
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -14.082
flat angles P-C4'-P energy: -13.378
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: 1
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -291.798794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.798794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.798794 (E_RNA)
where:
Base-Base interactions energy: -188.794
where: short stacking energy: -72.726
Base-Backbone interact. energy: -1.259
local terms energy: -101.745455
where:
bonds (distance) C4'-P energy: -19.622
bonds (distance) P-C4' energy: -20.652
flat angles C4'-P-C4' energy: -20.323
flat angles P-C4'-P energy: -18.346
tors. eta vs tors. theta energy: -22.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -289.317706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.317706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.317706 (E_RNA)
where:
Base-Base interactions energy: -193.947
where: short stacking energy: -76.715
Base-Backbone interact. energy: -0.169
local terms energy: -95.201335
where:
bonds (distance) C4'-P energy: -17.022
bonds (distance) P-C4' energy: -18.542
flat angles C4'-P-C4' energy: -19.497
flat angles P-C4'-P energy: -14.963
tors. eta vs tors. theta energy: -25.177
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: 3, replica: 5
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -282.105335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.105335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.105335 (E_RNA)
where:
Base-Base interactions energy: -186.904
where: short stacking energy: -91.467
Base-Backbone interact. energy: -0.338
local terms energy: -94.864061
where:
bonds (distance) C4'-P energy: -16.030
bonds (distance) P-C4' energy: -21.402
flat angles C4'-P-C4' energy: -19.587
flat angles P-C4'-P energy: -11.703
tors. eta vs tors. theta energy: -26.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -285.619702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.619702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.619702 (E_RNA)
where:
Base-Base interactions energy: -197.581
where: short stacking energy: -77.547
Base-Backbone interact. energy: -0.344
local terms energy: -87.694057
where:
bonds (distance) C4'-P energy: -14.021
bonds (distance) P-C4' energy: -19.656
flat angles C4'-P-C4' energy: -18.433
flat angles P-C4'-P energy: -13.403
tors. eta vs tors. theta energy: -22.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -267.379517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.379517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.379517 (E_RNA)
where:
Base-Base interactions energy: -185.369
where: short stacking energy: -72.941
Base-Backbone interact. energy: -0.841
local terms energy: -81.169491
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -15.772
flat angles P-C4'-P energy: -8.152
tors. eta vs tors. theta energy: -24.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -256.935460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.935460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.935460 (E_RNA)
where:
Base-Base interactions energy: -169.124
where: short stacking energy: -70.676
Base-Backbone interact. energy: -0.347
local terms energy: -87.463862
where:
bonds (distance) C4'-P energy: -15.670
bonds (distance) P-C4' energy: -17.819
flat angles C4'-P-C4' energy: -17.513
flat angles P-C4'-P energy: -13.937
tors. eta vs tors. theta energy: -22.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -193.088410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.088410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.088410 (E_RNA)
where:
Base-Base interactions energy: -116.751
where: short stacking energy: -48.723
Base-Backbone interact. energy: -0.752
local terms energy: -75.585047
where:
bonds (distance) C4'-P energy: -18.067
bonds (distance) P-C4' energy: -21.666
flat angles C4'-P-C4' energy: -19.607
flat angles P-C4'-P energy: -7.728
tors. eta vs tors. theta energy: -8.517
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: 8, replica: 6
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -95.091028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.091028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.091028 (E_RNA)
where:
Base-Base interactions energy: -35.379
where: short stacking energy: -34.349
Base-Backbone interact. energy: -0.688
local terms energy: -59.024191
where:
bonds (distance) C4'-P energy: -12.910
bonds (distance) P-C4' energy: -14.699
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -11.040
tors. eta vs tors. theta energy: -5.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -93.672055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.672055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.672055 (E_RNA)
where:
Base-Base interactions energy: -37.985
where: short stacking energy: -37.985
Base-Backbone interact. energy: -0.193
local terms energy: -55.493799
where:
bonds (distance) C4'-P energy: -14.883
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -15.045
flat angles P-C4'-P energy: -7.596
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: 10, replica: 4
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -91.492654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.492654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.492654 (E_RNA)
where:
Base-Base interactions energy: -29.473
where: short stacking energy: -28.211
Base-Backbone interact. energy: -0.444
local terms energy: -61.575602
where:
bonds (distance) C4'-P energy: -18.276
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -13.722
flat angles P-C4'-P energy: -13.428
tors. eta vs tors. theta energy: -2.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -291.918324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.918324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.918324 (E_RNA)
where:
Base-Base interactions energy: -194.162
where: short stacking energy: -80.020
Base-Backbone interact. energy: -1.112
local terms energy: -96.643815
where:
bonds (distance) C4'-P energy: -19.458
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -16.963
flat angles P-C4'-P energy: -16.362
tors. eta vs tors. theta energy: -26.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -280.298932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.298932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.298932 (E_RNA)
where:
Base-Base interactions energy: -195.787
where: short stacking energy: -65.088
Base-Backbone interact. energy: -0.552
local terms energy: -83.959852
where:
bonds (distance) C4'-P energy: -15.351
bonds (distance) P-C4' energy: -19.129
flat angles C4'-P-C4' energy: -15.954
flat angles P-C4'-P energy: -10.591
tors. eta vs tors. theta energy: -22.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -281.619549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.619549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.619549 (E_RNA)
where:
Base-Base interactions energy: -192.723
where: short stacking energy: -80.767
Base-Backbone interact. energy: -0.099
local terms energy: -88.798450
where:
bonds (distance) C4'-P energy: -12.610
bonds (distance) P-C4' energy: -20.567
flat angles C4'-P-C4' energy: -20.937
flat angles P-C4'-P energy: -10.451
tors. eta vs tors. theta energy: -24.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -268.412293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.412293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.412293 (E_RNA)
where:
Base-Base interactions energy: -180.566
where: short stacking energy: -74.314
Base-Backbone interact. energy: -0.005
local terms energy: -87.841409
where:
bonds (distance) C4'-P energy: -14.428
bonds (distance) P-C4' energy: -14.254
flat angles C4'-P-C4' energy: -18.344
flat angles P-C4'-P energy: -14.340
tors. eta vs tors. theta energy: -26.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -281.352503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.352503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.352503 (E_RNA)
where:
Base-Base interactions energy: -188.881
where: short stacking energy: -69.975
Base-Backbone interact. energy: -0.920
local terms energy: -91.552205
where:
bonds (distance) C4'-P energy: -18.334
bonds (distance) P-C4' energy: -17.883
flat angles C4'-P-C4' energy: -18.490
flat angles P-C4'-P energy: -15.536
tors. eta vs tors. theta energy: -21.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -256.070811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.070811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.070811 (E_RNA)
where:
Base-Base interactions energy: -180.057
where: short stacking energy: -75.724
Base-Backbone interact. energy: -0.159
local terms energy: -75.854987
where:
bonds (distance) C4'-P energy: -15.045
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -13.954
flat angles P-C4'-P energy: -7.354
tors. eta vs tors. theta energy: -25.142
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: 7, replica: 2
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -180.739097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.739097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.739097 (E_RNA)
where:
Base-Base interactions energy: -113.290
where: short stacking energy: -60.486
Base-Backbone interact. energy: -0.160
local terms energy: -67.288935
where:
bonds (distance) C4'-P energy: -14.721
bonds (distance) P-C4' energy: -16.479
flat angles C4'-P-C4' energy: -12.308
flat angles P-C4'-P energy: -9.390
tors. eta vs tors. theta energy: -14.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -106.415002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.415002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.415002 (E_RNA)
where:
Base-Base interactions energy: -39.129
where: short stacking energy: -20.590
Base-Backbone interact. energy: -0.364
local terms energy: -66.921867
where:
bonds (distance) C4'-P energy: -21.047
bonds (distance) P-C4' energy: -18.675
flat angles C4'-P-C4' energy: -18.208
flat angles P-C4'-P energy: -8.860
tors. eta vs tors. theta energy: -0.132
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: 6
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -94.511583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.511583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.511583 (E_RNA)
where:
Base-Base interactions energy: -38.312
where: short stacking energy: -28.247
Base-Backbone interact. energy: -0.071
local terms energy: -56.128230
where:
bonds (distance) C4'-P energy: -17.106
bonds (distance) P-C4' energy: -18.906
flat angles C4'-P-C4' energy: -16.333
flat angles P-C4'-P energy: -6.619
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: 10, replica: 4
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -93.155990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.155990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.155990 (E_RNA)
where:
Base-Base interactions energy: -46.089
where: short stacking energy: -32.251
Base-Backbone interact. energy: -0.056
local terms energy: -47.011435
where:
bonds (distance) C4'-P energy: -16.095
bonds (distance) P-C4' energy: -13.948
flat angles C4'-P-C4' energy: -12.303
flat angles P-C4'-P energy: -4.027
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: 1
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -289.632782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.632782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.632782 (E_RNA)
where:
Base-Base interactions energy: -196.757
where: short stacking energy: -77.052
Base-Backbone interact. energy: -0.051
local terms energy: -92.824540
where:
bonds (distance) C4'-P energy: -18.399
bonds (distance) P-C4' energy: -17.796
flat angles C4'-P-C4' energy: -19.071
flat angles P-C4'-P energy: -12.515
tors. eta vs tors. theta energy: -25.044
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: 5
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -284.096041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.096041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.096041 (E_RNA)
where:
Base-Base interactions energy: -187.788
where: short stacking energy: -73.828
Base-Backbone interact. energy: -1.336
local terms energy: -94.971918
where:
bonds (distance) C4'-P energy: -17.329
bonds (distance) P-C4' energy: -15.935
flat angles C4'-P-C4' energy: -21.437
flat angles P-C4'-P energy: -13.895
tors. eta vs tors. theta energy: -26.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -287.500083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.500083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.500083 (E_RNA)
where:
Base-Base interactions energy: -190.358
where: short stacking energy: -76.044
Base-Backbone interact. energy: -0.325
local terms energy: -96.817377
where:
bonds (distance) C4'-P energy: -18.923
bonds (distance) P-C4' energy: -19.939
flat angles C4'-P-C4' energy: -20.690
flat angles P-C4'-P energy: -13.235
tors. eta vs tors. theta energy: -24.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -281.722700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.722700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.722700 (E_RNA)
where:
Base-Base interactions energy: -188.657
where: short stacking energy: -72.874
Base-Backbone interact. energy: -0.102
local terms energy: -92.963058
where:
bonds (distance) C4'-P energy: -15.433
bonds (distance) P-C4' energy: -20.039
flat angles C4'-P-C4' energy: -18.010
flat angles P-C4'-P energy: -15.465
tors. eta vs tors. theta energy: -24.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -272.006862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.006862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.006862 (E_RNA)
where:
Base-Base interactions energy: -181.889
where: short stacking energy: -73.588
Base-Backbone interact. energy: -0.163
local terms energy: -89.955670
where:
bonds (distance) C4'-P energy: -10.818
bonds (distance) P-C4' energy: -17.638
flat angles C4'-P-C4' energy: -19.641
flat angles P-C4'-P energy: -17.088
tors. eta vs tors. theta energy: -24.771
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: 10
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -257.665842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.665842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.665842 (E_RNA)
where:
Base-Base interactions energy: -172.284
where: short stacking energy: -72.217
Base-Backbone interact. energy: -0.280
local terms energy: -85.102108
where:
bonds (distance) C4'-P energy: -18.758
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -17.630
flat angles P-C4'-P energy: -8.246
tors. eta vs tors. theta energy: -23.781
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: 8
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -108.878100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.878100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.878100 (E_RNA)
where:
Base-Base interactions energy: -42.425
where: short stacking energy: -36.941
Base-Backbone interact. energy: 0.018
local terms energy: -66.471098
where:
bonds (distance) C4'-P energy: -10.301
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -18.832
flat angles P-C4'-P energy: -14.127
tors. eta vs tors. theta energy: -5.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -153.317412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.317412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.317412 (E_RNA)
where:
Base-Base interactions energy: -81.966
where: short stacking energy: -31.376
Base-Backbone interact. energy: -0.420
local terms energy: -70.931619
where:
bonds (distance) C4'-P energy: -17.234
bonds (distance) P-C4' energy: -19.002
flat angles C4'-P-C4' energy: -15.981
flat angles P-C4'-P energy: -14.072
tors. eta vs tors. theta energy: -4.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -93.205230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.205230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.205230 (E_RNA)
where:
Base-Base interactions energy: -35.638
where: short stacking energy: -22.362
Base-Backbone interact. energy: -0.371
local terms energy: -57.196297
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -20.652
flat angles C4'-P-C4' energy: -14.001
flat angles P-C4'-P energy: -10.178
tors. eta vs tors. theta energy: 1.793
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: 4
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -133.080651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.080651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.080651 (E_RNA)
where:
Base-Base interactions energy: -65.418
where: short stacking energy: -35.415
Base-Backbone interact. energy: 1.413
local terms energy: -69.075162
where:
bonds (distance) C4'-P energy: -19.676
bonds (distance) P-C4' energy: -16.147
flat angles C4'-P-C4' energy: -14.765
flat angles P-C4'-P energy: -12.512
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: 1, replica: 1
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -289.950055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.950055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.950055 (E_RNA)
where:
Base-Base interactions energy: -203.087
where: short stacking energy: -78.475
Base-Backbone interact. energy: -0.842
local terms energy: -86.021165
where:
bonds (distance) C4'-P energy: -16.053
bonds (distance) P-C4' energy: -14.117
flat angles C4'-P-C4' energy: -20.421
flat angles P-C4'-P energy: -16.472
tors. eta vs tors. theta energy: -18.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -284.182565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.182565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.182565 (E_RNA)
where:
Base-Base interactions energy: -197.814
where: short stacking energy: -85.660
Base-Backbone interact. energy: -0.458
local terms energy: -85.910489
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -19.205
flat angles P-C4'-P energy: -11.782
tors. eta vs tors. theta energy: -23.777
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: 5
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -278.631561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.631561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.631561 (E_RNA)
where:
Base-Base interactions energy: -186.324
where: short stacking energy: -79.098
Base-Backbone interact. energy: -0.007
local terms energy: -92.300253
where:
bonds (distance) C4'-P energy: -18.145
bonds (distance) P-C4' energy: -20.123
flat angles C4'-P-C4' energy: -19.181
flat angles P-C4'-P energy: -9.993
tors. eta vs tors. theta energy: -24.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -277.380291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.380291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.380291 (E_RNA)
where:
Base-Base interactions energy: -186.988
where: short stacking energy: -76.009
Base-Backbone interact. energy: -0.440
local terms energy: -89.952058
where:
bonds (distance) C4'-P energy: -17.910
bonds (distance) P-C4' energy: -14.278
flat angles C4'-P-C4' energy: -19.566
flat angles P-C4'-P energy: -15.399
tors. eta vs tors. theta energy: -22.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -267.430116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.430116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.430116 (E_RNA)
where:
Base-Base interactions energy: -183.546
where: short stacking energy: -72.833
Base-Backbone interact. energy: 0.168
local terms energy: -84.051442
where:
bonds (distance) C4'-P energy: -13.003
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -19.866
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -22.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -265.219164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.219164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.219164 (E_RNA)
where:
Base-Base interactions energy: -179.469
where: short stacking energy: -72.751
Base-Backbone interact. energy: -0.290
local terms energy: -85.460767
where:
bonds (distance) C4'-P energy: -19.288
bonds (distance) P-C4' energy: -20.258
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -9.340
tors. eta vs tors. theta energy: -22.395
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: 125
Temperature: 1.200000
Total energy: -116.863348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.863348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.863348 (E_RNA)
where:
Base-Base interactions energy: -53.792
where: short stacking energy: -38.263
Base-Backbone interact. energy: -0.216
local terms energy: -62.855851
where:
bonds (distance) C4'-P energy: -18.434
bonds (distance) P-C4' energy: -18.504
flat angles C4'-P-C4' energy: -17.466
flat angles P-C4'-P energy: -7.992
tors. eta vs tors. theta energy: -0.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -92.518606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.518606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.518606 (E_RNA)
where:
Base-Base interactions energy: -38.196
where: short stacking energy: -37.069
Base-Backbone interact. energy: -0.016
local terms energy: -54.305928
where:
bonds (distance) C4'-P energy: -13.112
bonds (distance) P-C4' energy: -14.299
flat angles C4'-P-C4' energy: -15.369
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: -2.022
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: 2
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -153.863905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.863905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.863905 (E_RNA)
where:
Base-Base interactions energy: -85.320
where: short stacking energy: -45.995
Base-Backbone interact. energy: -0.134
local terms energy: -68.409519
where:
bonds (distance) C4'-P energy: -17.355
bonds (distance) P-C4' energy: -11.588
flat angles C4'-P-C4' energy: -18.457
flat angles P-C4'-P energy: -12.235
tors. eta vs tors. theta energy: -8.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -132.707604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.707604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.707604 (E_RNA)
where:
Base-Base interactions energy: -68.641
where: short stacking energy: -36.820
Base-Backbone interact. energy: -0.474
local terms energy: -63.593019
where:
bonds (distance) C4'-P energy: -19.006
bonds (distance) P-C4' energy: -17.817
flat angles C4'-P-C4' energy: -12.684
flat angles P-C4'-P energy: -8.667
tors. eta vs tors. theta energy: -5.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -290.897268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.897268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.897268 (E_RNA)
where:
Base-Base interactions energy: -198.784
where: short stacking energy: -83.405
Base-Backbone interact. energy: -0.016
local terms energy: -92.097208
where:
bonds (distance) C4'-P energy: -15.326
bonds (distance) P-C4' energy: -16.486
flat angles C4'-P-C4' energy: -20.222
flat angles P-C4'-P energy: -15.528
tors. eta vs tors. theta energy: -24.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -290.245010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.245010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.245010 (E_RNA)
where:
Base-Base interactions energy: -199.255
where: short stacking energy: -76.383
Base-Backbone interact. energy: -0.028
local terms energy: -90.961546
where:
bonds (distance) C4'-P energy: -16.775
bonds (distance) P-C4' energy: -16.145
flat angles C4'-P-C4' energy: -20.822
flat angles P-C4'-P energy: -12.430
tors. eta vs tors. theta energy: -24.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -278.215981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.215981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.215981 (E_RNA)
where:
Base-Base interactions energy: -185.492
where: short stacking energy: -75.935
Base-Backbone interact. energy: -1.031
local terms energy: -91.692985
where:
bonds (distance) C4'-P energy: -18.667
bonds (distance) P-C4' energy: -20.914
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -12.408
tors. eta vs tors. theta energy: -24.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -279.151435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.151435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.151435 (E_RNA)
where:
Base-Base interactions energy: -187.139
where: short stacking energy: -77.185
Base-Backbone interact. energy: -0.177
local terms energy: -91.835315
where:
bonds (distance) C4'-P energy: -16.845
bonds (distance) P-C4' energy: -15.327
flat angles C4'-P-C4' energy: -19.752
flat angles P-C4'-P energy: -13.068
tors. eta vs tors. theta energy: -26.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -269.439226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.439226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.439226 (E_RNA)
where:
Base-Base interactions energy: -186.808
where: short stacking energy: -73.586
Base-Backbone interact. energy: -0.891
local terms energy: -81.740054
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -17.979
flat angles C4'-P-C4' energy: -17.120
flat angles P-C4'-P energy: -10.852
tors. eta vs tors. theta energy: -22.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -256.981477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.981477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.981477 (E_RNA)
where:
Base-Base interactions energy: -169.022
where: short stacking energy: -71.078
Base-Backbone interact. energy: -0.216
local terms energy: -87.742779
where:
bonds (distance) C4'-P energy: -17.456
bonds (distance) P-C4' energy: -20.700
flat angles C4'-P-C4' energy: -15.074
flat angles P-C4'-P energy: -13.607
tors. eta vs tors. theta energy: -20.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -102.731559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.731559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.731559 (E_RNA)
where:
Base-Base interactions energy: -34.443
where: short stacking energy: -34.443
Base-Backbone interact. energy: -0.046
local terms energy: -68.241916
where:
bonds (distance) C4'-P energy: -18.478
bonds (distance) P-C4' energy: -19.711
flat angles C4'-P-C4' energy: -14.414
flat angles P-C4'-P energy: -8.061
tors. eta vs tors. theta energy: -7.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -92.405143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.405143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.405143 (E_RNA)
where:
Base-Base interactions energy: -37.880
where: short stacking energy: -35.385
Base-Backbone interact. energy: -1.486
local terms energy: -53.038765
where:
bonds (distance) C4'-P energy: -13.724
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -12.933
flat angles P-C4'-P energy: -7.858
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: 9, replica: 2
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -140.878774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.878774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.878774 (E_RNA)
where:
Base-Base interactions energy: -74.276
where: short stacking energy: -37.497
Base-Backbone interact. energy: 0.079
local terms energy: -66.682433
where:
bonds (distance) C4'-P energy: -17.246
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -19.167
flat angles P-C4'-P energy: -7.590
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: 10, replica: 4
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -84.258895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.258895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.258895 (E_RNA)
where:
Base-Base interactions energy: -34.229
where: short stacking energy: -19.880
Base-Backbone interact. energy: 0.094
local terms energy: -50.123823
where:
bonds (distance) C4'-P energy: -14.204
bonds (distance) P-C4' energy: -16.833
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -8.690
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: 1, replica: 7
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -295.483555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.483555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.483555 (E_RNA)
where:
Base-Base interactions energy: -201.334
where: short stacking energy: -82.209
Base-Backbone interact. energy: -0.102
local terms energy: -94.047482
where:
bonds (distance) C4'-P energy: -16.391
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -21.063
flat angles P-C4'-P energy: -14.367
tors. eta vs tors. theta energy: -24.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -292.138157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.138157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.138157 (E_RNA)
where:
Base-Base interactions energy: -196.055
where: short stacking energy: -80.795
Base-Backbone interact. energy: -0.701
local terms energy: -95.382392
where:
bonds (distance) C4'-P energy: -19.842
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -19.267
flat angles P-C4'-P energy: -14.093
tors. eta vs tors. theta energy: -28.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -277.085357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.085357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.085357 (E_RNA)
where:
Base-Base interactions energy: -186.303
where: short stacking energy: -80.386
Base-Backbone interact. energy: -0.794
local terms energy: -89.988476
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -19.001
flat angles C4'-P-C4' energy: -19.558
flat angles P-C4'-P energy: -14.541
tors. eta vs tors. theta energy: -22.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -271.243224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.243224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.243224 (E_RNA)
where:
Base-Base interactions energy: -182.629
where: short stacking energy: -77.689
Base-Backbone interact. energy: 0.366
local terms energy: -88.980522
where:
bonds (distance) C4'-P energy: -15.370
bonds (distance) P-C4' energy: -18.286
flat angles C4'-P-C4' energy: -16.868
flat angles P-C4'-P energy: -13.969
tors. eta vs tors. theta energy: -24.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -275.905915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.905915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.905915 (E_RNA)
where:
Base-Base interactions energy: -180.934
where: short stacking energy: -72.105
Base-Backbone interact. energy: -0.620
local terms energy: -94.352438
where:
bonds (distance) C4'-P energy: -18.923
bonds (distance) P-C4' energy: -18.316
flat angles C4'-P-C4' energy: -20.099
flat angles P-C4'-P energy: -9.027
tors. eta vs tors. theta energy: -27.987
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: 3
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -224.416358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.416358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.416358 (E_RNA)
where:
Base-Base interactions energy: -153.753
where: short stacking energy: -59.669
Base-Backbone interact. energy: -0.326
local terms energy: -70.336792
where:
bonds (distance) C4'-P energy: -15.226
bonds (distance) P-C4' energy: -19.912
flat angles C4'-P-C4' energy: -14.927
flat angles P-C4'-P energy: -6.612
tors. eta vs tors. theta energy: -13.660
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: 7, replica: 6
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -105.096644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.096644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.096644 (E_RNA)
where:
Base-Base interactions energy: -39.052
where: short stacking energy: -37.352
Base-Backbone interact. energy: -0.020
local terms energy: -66.024061
where:
bonds (distance) C4'-P energy: -18.319
bonds (distance) P-C4' energy: -15.863
flat angles C4'-P-C4' energy: -16.641
flat angles P-C4'-P energy: -13.012
tors. eta vs tors. theta energy: -2.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -152.619919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.619919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.619919 (E_RNA)
where:
Base-Base interactions energy: -87.845
where: short stacking energy: -38.893
Base-Backbone interact. energy: -0.172
local terms energy: -64.603580
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -18.566
flat angles C4'-P-C4' energy: -16.718
flat angles P-C4'-P energy: -8.691
tors. eta vs tors. theta energy: -5.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -95.476633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.476633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.476633 (E_RNA)
where:
Base-Base interactions energy: -36.537
where: short stacking energy: -26.518
Base-Backbone interact. energy: 0.071
local terms energy: -59.010408
where:
bonds (distance) C4'-P energy: -9.802
bonds (distance) P-C4' energy: -16.676
flat angles C4'-P-C4' energy: -15.848
flat angles P-C4'-P energy: -14.073
tors. eta vs tors. theta energy: -2.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -84.526750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.526750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.526750 (E_RNA)
where:
Base-Base interactions energy: -27.402
where: short stacking energy: -27.402
Base-Backbone interact. energy: -0.052
local terms energy: -57.073581
where:
bonds (distance) C4'-P energy: -19.410
bonds (distance) P-C4' energy: -16.913
flat angles C4'-P-C4' energy: -12.955
flat angles P-C4'-P energy: -3.589
tors. eta vs tors. theta energy: -4.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -297.487412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.487412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.487412 (E_RNA)
where:
Base-Base interactions energy: -204.155
where: short stacking energy: -77.874
Base-Backbone interact. energy: -0.145
local terms energy: -93.187028
where:
bonds (distance) C4'-P energy: -18.613
bonds (distance) P-C4' energy: -18.333
flat angles C4'-P-C4' energy: -21.694
flat angles P-C4'-P energy: -14.070
tors. eta vs tors. theta energy: -20.478
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: 7
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -293.825559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.825559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.825559 (E_RNA)
where:
Base-Base interactions energy: -200.654
where: short stacking energy: -94.294
Base-Backbone interact. energy: -0.128
local terms energy: -93.043928
where:
bonds (distance) C4'-P energy: -18.687
bonds (distance) P-C4' energy: -14.491
flat angles C4'-P-C4' energy: -20.552
flat angles P-C4'-P energy: -14.654
tors. eta vs tors. theta energy: -24.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -279.791295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.791295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.791295 (E_RNA)
where:
Base-Base interactions energy: -195.802
where: short stacking energy: -74.458
Base-Backbone interact. energy: -0.092
local terms energy: -83.897897
where:
bonds (distance) C4'-P energy: -11.414
bonds (distance) P-C4' energy: -17.532
flat angles C4'-P-C4' energy: -19.336
flat angles P-C4'-P energy: -14.826
tors. eta vs tors. theta energy: -20.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -268.049415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.049415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.049415 (E_RNA)
where:
Base-Base interactions energy: -184.188
where: short stacking energy: -74.670
Base-Backbone interact. energy: -0.300
local terms energy: -83.561010
where:
bonds (distance) C4'-P energy: -14.676
bonds (distance) P-C4' energy: -9.613
flat angles C4'-P-C4' energy: -20.828
flat angles P-C4'-P energy: -14.230
tors. eta vs tors. theta energy: -24.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -266.122034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.122034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.122034 (E_RNA)
where:
Base-Base interactions energy: -190.234
where: short stacking energy: -70.434
Base-Backbone interact. energy: -0.568
local terms energy: -75.320269
where:
bonds (distance) C4'-P energy: -17.114
bonds (distance) P-C4' energy: -15.289
flat angles C4'-P-C4' energy: -14.097
flat angles P-C4'-P energy: -9.310
tors. eta vs tors. theta energy: -19.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -263.180287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.180287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.180287 (E_RNA)
where:
Base-Base interactions energy: -176.094
where: short stacking energy: -66.108
Base-Backbone interact. energy: -0.545
local terms energy: -86.541305
where:
bonds (distance) C4'-P energy: -14.370
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -19.708
flat angles P-C4'-P energy: -15.544
tors. eta vs tors. theta energy: -20.713
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: 2
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -188.637131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.637131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.637131 (E_RNA)
where:
Base-Base interactions energy: -113.366
where: short stacking energy: -46.799
Base-Backbone interact. energy: -0.742
local terms energy: -74.528721
where:
bonds (distance) C4'-P energy: -11.083
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -18.078
flat angles P-C4'-P energy: -13.237
tors. eta vs tors. theta energy: -15.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -101.748868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.748868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.748868 (E_RNA)
where:
Base-Base interactions energy: -45.554
where: short stacking energy: -39.237
Base-Backbone interact. energy: -0.120
local terms energy: -56.074704
where:
bonds (distance) C4'-P energy: -17.424
bonds (distance) P-C4' energy: -17.336
flat angles C4'-P-C4' energy: -11.297
flat angles P-C4'-P energy: -3.863
tors. eta vs tors. theta energy: -6.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -99.325161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.325161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.325161 (E_RNA)
where:
Base-Base interactions energy: -52.241
where: short stacking energy: -38.691
Base-Backbone interact. energy: -0.343
local terms energy: -46.740552
where:
bonds (distance) C4'-P energy: -14.955
bonds (distance) P-C4' energy: -11.042
flat angles C4'-P-C4' energy: -18.903
flat angles P-C4'-P energy: -1.893
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: 8
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -91.560194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.560194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.560194 (E_RNA)
where:
Base-Base interactions energy: -35.467
where: short stacking energy: -30.976
Base-Backbone interact. energy: -0.214
local terms energy: -55.878467
where:
bonds (distance) C4'-P energy: -21.241
bonds (distance) P-C4' energy: -14.085
flat angles C4'-P-C4' energy: -8.956
flat angles P-C4'-P energy: -11.065
tors. eta vs tors. theta energy: -0.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -293.548095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.548095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.548095 (E_RNA)
where:
Base-Base interactions energy: -197.086
where: short stacking energy: -81.349
Base-Backbone interact. energy: -0.190
local terms energy: -96.271921
where:
bonds (distance) C4'-P energy: -19.747
bonds (distance) P-C4' energy: -15.762
flat angles C4'-P-C4' energy: -19.081
flat angles P-C4'-P energy: -15.775
tors. eta vs tors. theta energy: -25.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -289.816035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.816035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.816035 (E_RNA)
where:
Base-Base interactions energy: -197.529
where: short stacking energy: -81.389
Base-Backbone interact. energy: -0.049
local terms energy: -92.238913
where:
bonds (distance) C4'-P energy: -15.366
bonds (distance) P-C4' energy: -19.644
flat angles C4'-P-C4' energy: -21.812
flat angles P-C4'-P energy: -12.344
tors. eta vs tors. theta energy: -23.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -281.294321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.294321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.294321 (E_RNA)
where:
Base-Base interactions energy: -185.205
where: short stacking energy: -77.216
Base-Backbone interact. energy: -0.012
local terms energy: -96.076919
where:
bonds (distance) C4'-P energy: -18.643
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -17.416
flat angles P-C4'-P energy: -14.758
tors. eta vs tors. theta energy: -26.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -277.244410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.244410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.244410 (E_RNA)
where:
Base-Base interactions energy: -182.672
where: short stacking energy: -69.668
Base-Backbone interact. energy: -0.258
local terms energy: -94.314142
where:
bonds (distance) C4'-P energy: -18.754
bonds (distance) P-C4' energy: -19.943
flat angles C4'-P-C4' energy: -19.562
flat angles P-C4'-P energy: -17.137
tors. eta vs tors. theta energy: -18.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -269.910648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.910648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.910648 (E_RNA)
where:
Base-Base interactions energy: -185.324
where: short stacking energy: -73.664
Base-Backbone interact. energy: -0.318
local terms energy: -84.268412
where:
bonds (distance) C4'-P energy: -17.084
bonds (distance) P-C4' energy: -14.044
flat angles C4'-P-C4' energy: -18.076
flat angles P-C4'-P energy: -14.968
tors. eta vs tors. theta energy: -20.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -272.889212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.889212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.889212 (E_RNA)
where:
Base-Base interactions energy: -185.351
where: short stacking energy: -74.865
Base-Backbone interact. energy: -0.736
local terms energy: -86.801951
where:
bonds (distance) C4'-P energy: -12.216
bonds (distance) P-C4' energy: -14.642
flat angles C4'-P-C4' energy: -19.983
flat angles P-C4'-P energy: -15.700
tors. eta vs tors. theta energy: -24.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -201.680986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.680986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.680986 (E_RNA)
where:
Base-Base interactions energy: -131.227
where: short stacking energy: -55.436
Base-Backbone interact. energy: -0.445
local terms energy: -70.009309
where:
bonds (distance) C4'-P energy: -8.913
bonds (distance) P-C4' energy: -22.653
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -13.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -96.239622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.239622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.239622 (E_RNA)
where:
Base-Base interactions energy: -30.800
where: short stacking energy: -30.800
Base-Backbone interact. energy: 0.261
local terms energy: -65.701022
where:
bonds (distance) C4'-P energy: -13.044
bonds (distance) P-C4' energy: -18.876
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -12.697
tors. eta vs tors. theta energy: -4.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -103.069965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.069965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.069965 (E_RNA)
where:
Base-Base interactions energy: -42.887
where: short stacking energy: -39.899
Base-Backbone interact. energy: 1.060
local terms energy: -61.242848
where:
bonds (distance) C4'-P energy: -17.156
bonds (distance) P-C4' energy: -15.106
flat angles C4'-P-C4' energy: -10.884
flat angles P-C4'-P energy: -12.372
tors. eta vs tors. theta energy: -5.725
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: 8
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -102.726435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.726435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.726435 (E_RNA)
where:
Base-Base interactions energy: -34.634
where: short stacking energy: -31.044
Base-Backbone interact. energy: -1.323
local terms energy: -66.769863
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -15.550
flat angles C4'-P-C4' energy: -14.714
flat angles P-C4'-P energy: -12.824
tors. eta vs tors. theta energy: -9.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -296.201671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.201671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.201671 (E_RNA)
where:
Base-Base interactions energy: -201.702
where: short stacking energy: -82.238
Base-Backbone interact. energy: -3.048
local terms energy: -91.451484
where:
bonds (distance) C4'-P energy: -14.647
bonds (distance) P-C4' energy: -16.540
flat angles C4'-P-C4' energy: -20.679
flat angles P-C4'-P energy: -14.252
tors. eta vs tors. theta energy: -25.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -293.791372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.791372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.791372 (E_RNA)
where:
Base-Base interactions energy: -205.769
where: short stacking energy: -90.950
Base-Backbone interact. energy: -0.001
local terms energy: -88.022136
where:
bonds (distance) C4'-P energy: -20.209
bonds (distance) P-C4' energy: -14.701
flat angles C4'-P-C4' energy: -21.321
flat angles P-C4'-P energy: -6.137
tors. eta vs tors. theta energy: -25.655
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: 7
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -281.754002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.754002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.754002 (E_RNA)
where:
Base-Base interactions energy: -192.779
where: short stacking energy: -73.040
Base-Backbone interact. energy: -0.632
local terms energy: -88.343162
where:
bonds (distance) C4'-P energy: -17.801
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -16.638
flat angles P-C4'-P energy: -9.427
tors. eta vs tors. theta energy: -27.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -274.764527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.764527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.764527 (E_RNA)
where:
Base-Base interactions energy: -189.372
where: short stacking energy: -68.711
Base-Backbone interact. energy: -0.561
local terms energy: -84.832260
where:
bonds (distance) C4'-P energy: -15.682
bonds (distance) P-C4' energy: -21.035
flat angles C4'-P-C4' energy: -17.548
flat angles P-C4'-P energy: -13.345
tors. eta vs tors. theta energy: -17.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -277.471431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.471431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.471431 (E_RNA)
where:
Base-Base interactions energy: -191.898
where: short stacking energy: -79.950
Base-Backbone interact. energy: -0.140
local terms energy: -85.433882
where:
bonds (distance) C4'-P energy: -17.454
bonds (distance) P-C4' energy: -12.527
flat angles C4'-P-C4' energy: -17.578
flat angles P-C4'-P energy: -11.379
tors. eta vs tors. theta energy: -26.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -255.739574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.739574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.739574 (E_RNA)
where:
Base-Base interactions energy: -179.245
where: short stacking energy: -72.124
Base-Backbone interact. energy: -0.025
local terms energy: -76.469726
where:
bonds (distance) C4'-P energy: -12.432
bonds (distance) P-C4' energy: -11.744
flat angles C4'-P-C4' energy: -18.641
flat angles P-C4'-P energy: -11.999
tors. eta vs tors. theta energy: -21.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -173.123358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.123358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.123358 (E_RNA)
where:
Base-Base interactions energy: -103.461
where: short stacking energy: -53.255
Base-Backbone interact. energy: -0.138
local terms energy: -69.524722
where:
bonds (distance) C4'-P energy: -9.186
bonds (distance) P-C4' energy: -18.894
flat angles C4'-P-C4' energy: -16.806
flat angles P-C4'-P energy: -9.852
tors. eta vs tors. theta energy: -14.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -106.122088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.122088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.122088 (E_RNA)
where:
Base-Base interactions energy: -47.771
where: short stacking energy: -31.407
Base-Backbone interact. energy: -0.329
local terms energy: -58.021495
where:
bonds (distance) C4'-P energy: -19.525
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -12.312
flat angles P-C4'-P energy: -9.254
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: 9, replica: 8
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -100.886603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.886603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.886603 (E_RNA)
where:
Base-Base interactions energy: -37.353
where: short stacking energy: -37.353
Base-Backbone interact. energy: -0.112
local terms energy: -63.421097
where:
bonds (distance) C4'-P energy: -11.677
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -11.987
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: 10, replica: 6
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -83.321385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.321385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.321385 (E_RNA)
where:
Base-Base interactions energy: -22.631
where: short stacking energy: -18.727
Base-Backbone interact. energy: -0.091
local terms energy: -60.598819
where:
bonds (distance) C4'-P energy: -15.802
bonds (distance) P-C4' energy: -19.548
flat angles C4'-P-C4' energy: -14.971
flat angles P-C4'-P energy: -10.372
tors. eta vs tors. theta energy: 0.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -297.491209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.491209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.491209 (E_RNA)
where:
Base-Base interactions energy: -201.539
where: short stacking energy: -85.023
Base-Backbone interact. energy: 0.283
local terms energy: -96.235555
where:
bonds (distance) C4'-P energy: -21.034
bonds (distance) P-C4' energy: -18.605
flat angles C4'-P-C4' energy: -18.449
flat angles P-C4'-P energy: -13.785
tors. eta vs tors. theta energy: -24.362
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: 10
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -287.508797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.508797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.508797 (E_RNA)
where:
Base-Base interactions energy: -197.801
where: short stacking energy: -75.517
Base-Backbone interact. energy: -0.710
local terms energy: -88.997819
where:
bonds (distance) C4'-P energy: -19.019
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -18.386
flat angles P-C4'-P energy: -11.487
tors. eta vs tors. theta energy: -22.793
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: 3, replica: 7
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -280.571725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.571725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.571725 (E_RNA)
where:
Base-Base interactions energy: -197.456
where: short stacking energy: -87.200
Base-Backbone interact. energy: -1.208
local terms energy: -81.908257
where:
bonds (distance) C4'-P energy: -13.739
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -18.870
flat angles P-C4'-P energy: -10.244
tors. eta vs tors. theta energy: -21.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -277.357114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.357114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.357114 (E_RNA)
where:
Base-Base interactions energy: -195.293
where: short stacking energy: -79.639
Base-Backbone interact. energy: -0.338
local terms energy: -81.726328
where:
bonds (distance) C4'-P energy: -14.028
bonds (distance) P-C4' energy: -12.229
flat angles C4'-P-C4' energy: -19.151
flat angles P-C4'-P energy: -13.620
tors. eta vs tors. theta energy: -22.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -279.288385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.288385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.288385 (E_RNA)
where:
Base-Base interactions energy: -183.783
where: short stacking energy: -72.890
Base-Backbone interact. energy: -0.222
local terms energy: -95.282783
where:
bonds (distance) C4'-P energy: -19.484
bonds (distance) P-C4' energy: -20.190
flat angles C4'-P-C4' energy: -21.263
flat angles P-C4'-P energy: -13.313
tors. eta vs tors. theta energy: -21.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -250.384235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.384235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.384235 (E_RNA)
where:
Base-Base interactions energy: -166.443
where: short stacking energy: -76.760
Base-Backbone interact. energy: -1.703
local terms energy: -82.238010
where:
bonds (distance) C4'-P energy: -13.261
bonds (distance) P-C4' energy: -19.004
flat angles C4'-P-C4' energy: -17.859
flat angles P-C4'-P energy: -11.045
tors. eta vs tors. theta energy: -21.069
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: 2
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -166.292713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.292713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.292713 (E_RNA)
where:
Base-Base interactions energy: -102.099
where: short stacking energy: -48.306
Base-Backbone interact. energy: -0.459
local terms energy: -63.735211
where:
bonds (distance) C4'-P energy: -14.891
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -17.663
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: -5.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -107.620814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.620814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.620814 (E_RNA)
where:
Base-Base interactions energy: -48.778
where: short stacking energy: -31.938
Base-Backbone interact. energy: -0.541
local terms energy: -58.302140
where:
bonds (distance) C4'-P energy: -14.594
bonds (distance) P-C4' energy: -13.404
flat angles C4'-P-C4' energy: -18.597
flat angles P-C4'-P energy: -6.048
tors. eta vs tors. theta energy: -5.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -83.167034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.167034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.167034 (E_RNA)
where:
Base-Base interactions energy: -28.195
where: short stacking energy: -21.337
Base-Backbone interact. energy: 0.237
local terms energy: -55.209024
where:
bonds (distance) C4'-P energy: -15.699
bonds (distance) P-C4' energy: -20.246
flat angles C4'-P-C4' energy: -8.612
flat angles P-C4'-P energy: -8.281
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: 10, replica: 6
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -88.804536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.804536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.804536 (E_RNA)
where:
Base-Base interactions energy: -32.717
where: short stacking energy: -32.717
Base-Backbone interact. energy: -0.076
local terms energy: -56.011464
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -18.024
flat angles C4'-P-C4' energy: -15.493
flat angles P-C4'-P energy: -7.407
tors. eta vs tors. theta energy: -0.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -289.961407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.961407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.961407 (E_RNA)
where:
Base-Base interactions energy: -190.946
where: short stacking energy: -78.617
Base-Backbone interact. energy: -0.204
local terms energy: -98.811089
where:
bonds (distance) C4'-P energy: -16.138
bonds (distance) P-C4' energy: -18.322
flat angles C4'-P-C4' energy: -21.106
flat angles P-C4'-P energy: -16.222
tors. eta vs tors. theta energy: -27.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -284.346924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.346924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.346924 (E_RNA)
where:
Base-Base interactions energy: -189.959
where: short stacking energy: -78.331
Base-Backbone interact. energy: -0.535
local terms energy: -93.852331
where:
bonds (distance) C4'-P energy: -17.152
bonds (distance) P-C4' energy: -18.230
flat angles C4'-P-C4' energy: -21.059
flat angles P-C4'-P energy: -12.097
tors. eta vs tors. theta energy: -25.314
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: 7
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -279.885942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.885942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.885942 (E_RNA)
where:
Base-Base interactions energy: -193.891
where: short stacking energy: -78.288
Base-Backbone interact. energy: -0.739
local terms energy: -85.255507
where:
bonds (distance) C4'-P energy: -17.401
bonds (distance) P-C4' energy: -16.881
flat angles C4'-P-C4' energy: -18.906
flat angles P-C4'-P energy: -8.816
tors. eta vs tors. theta energy: -23.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -279.091441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.091441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.091441 (E_RNA)
where:
Base-Base interactions energy: -185.018
where: short stacking energy: -72.339
Base-Backbone interact. energy: -0.659
local terms energy: -93.414320
where:
bonds (distance) C4'-P energy: -17.669
bonds (distance) P-C4' energy: -20.238
flat angles C4'-P-C4' energy: -20.582
flat angles P-C4'-P energy: -13.543
tors. eta vs tors. theta energy: -21.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -271.922902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.922902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.922902 (E_RNA)
where:
Base-Base interactions energy: -186.696
where: short stacking energy: -78.909
Base-Backbone interact. energy: -0.239
local terms energy: -84.988139
where:
bonds (distance) C4'-P energy: -19.582
bonds (distance) P-C4' energy: -15.866
flat angles C4'-P-C4' energy: -14.154
flat angles P-C4'-P energy: -11.435
tors. eta vs tors. theta energy: -23.952
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: 3
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -268.092775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.092775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.092775 (E_RNA)
where:
Base-Base interactions energy: -190.746
where: short stacking energy: -84.086
Base-Backbone interact. energy: -0.278
local terms energy: -77.069175
where:
bonds (distance) C4'-P energy: -12.121
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -15.815
flat angles P-C4'-P energy: -12.259
tors. eta vs tors. theta energy: -21.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -165.296586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.296586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.296586 (E_RNA)
where:
Base-Base interactions energy: -92.627
where: short stacking energy: -42.274
Base-Backbone interact. energy: -0.181
local terms energy: -72.488905
where:
bonds (distance) C4'-P energy: -14.452
bonds (distance) P-C4' energy: -20.252
flat angles C4'-P-C4' energy: -17.556
flat angles P-C4'-P energy: -13.918
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: 8, replica: 8
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -103.562691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.562691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.562691 (E_RNA)
where:
Base-Base interactions energy: -39.879
where: short stacking energy: -38.912
Base-Backbone interact. energy: -0.026
local terms energy: -63.658119
where:
bonds (distance) C4'-P energy: -16.229
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -17.288
flat angles P-C4'-P energy: -12.465
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: 6
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -90.224224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.224224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.224224 (E_RNA)
where:
Base-Base interactions energy: -37.862
where: short stacking energy: -26.215
Base-Backbone interact. energy: -0.758
local terms energy: -51.604326
where:
bonds (distance) C4'-P energy: -13.955
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -16.919
flat angles P-C4'-P energy: -11.413
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: 4
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -84.990049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.990049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.990049 (E_RNA)
where:
Base-Base interactions energy: -23.301
where: short stacking energy: -18.983
Base-Backbone interact. energy: -0.645
local terms energy: -61.043696
where:
bonds (distance) C4'-P energy: -19.011
bonds (distance) P-C4' energy: -19.020
flat angles C4'-P-C4' energy: -10.455
flat angles P-C4'-P energy: -10.128
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: 1, replica: 10
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -284.130219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.130219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.130219 (E_RNA)
where:
Base-Base interactions energy: -193.002
where: short stacking energy: -74.978
Base-Backbone interact. energy: -0.336
local terms energy: -90.792785
where:
bonds (distance) C4'-P energy: -20.820
bonds (distance) P-C4' energy: -16.253
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -13.976
tors. eta vs tors. theta energy: -23.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -283.272280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.272280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.272280 (E_RNA)
where:
Base-Base interactions energy: -192.534
where: short stacking energy: -80.089
Base-Backbone interact. energy: -0.261
local terms energy: -90.477772
where:
bonds (distance) C4'-P energy: -19.731
bonds (distance) P-C4' energy: -14.729
flat angles C4'-P-C4' energy: -18.155
flat angles P-C4'-P energy: -12.417
tors. eta vs tors. theta energy: -25.446
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: 7
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -287.100635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.100635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.100635 (E_RNA)
where:
Base-Base interactions energy: -196.489
where: short stacking energy: -85.445
Base-Backbone interact. energy: -0.188
local terms energy: -90.424135
where:
bonds (distance) C4'-P energy: -15.314
bonds (distance) P-C4' energy: -18.889
flat angles C4'-P-C4' energy: -19.169
flat angles P-C4'-P energy: -10.213
tors. eta vs tors. theta energy: -26.838
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: 5
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -271.948287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.948287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.948287 (E_RNA)
where:
Base-Base interactions energy: -191.816
where: short stacking energy: -79.410
Base-Backbone interact. energy: -0.995
local terms energy: -79.136793
where:
bonds (distance) C4'-P energy: -12.593
bonds (distance) P-C4' energy: -17.554
flat angles C4'-P-C4' energy: -21.702
flat angles P-C4'-P energy: -5.961
tors. eta vs tors. theta energy: -21.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -262.339489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.339489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.339489 (E_RNA)
where:
Base-Base interactions energy: -179.509
where: short stacking energy: -72.737
Base-Backbone interact. energy: -0.003
local terms energy: -82.828007
where:
bonds (distance) C4'-P energy: -11.257
bonds (distance) P-C4' energy: -19.273
flat angles C4'-P-C4' energy: -16.700
flat angles P-C4'-P energy: -11.800
tors. eta vs tors. theta energy: -23.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -270.041062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.041062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.041062 (E_RNA)
where:
Base-Base interactions energy: -184.503
where: short stacking energy: -78.930
Base-Backbone interact. energy: -0.013
local terms energy: -85.525304
where:
bonds (distance) C4'-P energy: -19.064
bonds (distance) P-C4' energy: -14.775
flat angles C4'-P-C4' energy: -17.337
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: -23.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -143.989549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.989549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.989549 (E_RNA)
where:
Base-Base interactions energy: -84.693
where: short stacking energy: -46.230
Base-Backbone interact. energy: -1.039
local terms energy: -58.257622
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -15.105
flat angles C4'-P-C4' energy: -12.688
flat angles P-C4'-P energy: -8.983
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: 8, replica: 6
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -100.351671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.351671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.351671 (E_RNA)
where:
Base-Base interactions energy: -40.659
where: short stacking energy: -38.681
Base-Backbone interact. energy: -0.508
local terms energy: -59.185393
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -16.153
flat angles P-C4'-P energy: -10.130
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: 8
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -105.720411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.720411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.720411 (E_RNA)
where:
Base-Base interactions energy: -46.812
where: short stacking energy: -25.970
Base-Backbone interact. energy: 0.662
local terms energy: -59.570423
where:
bonds (distance) C4'-P energy: -12.632
bonds (distance) P-C4' energy: -19.101
flat angles C4'-P-C4' energy: -13.236
flat angles P-C4'-P energy: -12.927
tors. eta vs tors. theta energy: -1.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -89.634026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.634026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.634026 (E_RNA)
where:
Base-Base interactions energy: -24.143
where: short stacking energy: -24.670
Base-Backbone interact. energy: -0.070
local terms energy: -65.420702
where:
bonds (distance) C4'-P energy: -19.589
bonds (distance) P-C4' energy: -17.847
flat angles C4'-P-C4' energy: -14.157
flat angles P-C4'-P energy: -9.998
tors. eta vs tors. theta energy: -3.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -293.083303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.083303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.083303 (E_RNA)
where:
Base-Base interactions energy: -192.486
where: short stacking energy: -82.275
Base-Backbone interact. energy: 0.083
local terms energy: -100.680737
where:
bonds (distance) C4'-P energy: -19.388
bonds (distance) P-C4' energy: -18.797
flat angles C4'-P-C4' energy: -19.480
flat angles P-C4'-P energy: -15.502
tors. eta vs tors. theta energy: -27.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -289.403769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.403769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.403769 (E_RNA)
where:
Base-Base interactions energy: -204.500
where: short stacking energy: -76.516
Base-Backbone interact. energy: -1.604
local terms energy: -83.299800
where:
bonds (distance) C4'-P energy: -19.461
bonds (distance) P-C4' energy: -16.187
flat angles C4'-P-C4' energy: -18.150
flat angles P-C4'-P energy: -10.824
tors. eta vs tors. theta energy: -18.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -285.898192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.898192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.898192 (E_RNA)
where:
Base-Base interactions energy: -192.592
where: short stacking energy: -84.289
Base-Backbone interact. energy: -0.895
local terms energy: -92.411644
where:
bonds (distance) C4'-P energy: -16.796
bonds (distance) P-C4' energy: -15.234
flat angles C4'-P-C4' energy: -19.747
flat angles P-C4'-P energy: -14.054
tors. eta vs tors. theta energy: -26.580
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: 4, replica: 5
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -279.441759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.441759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.441759 (E_RNA)
where:
Base-Base interactions energy: -192.317
where: short stacking energy: -68.704
Base-Backbone interact. energy: -2.429
local terms energy: -84.695544
where:
bonds (distance) C4'-P energy: -17.532
bonds (distance) P-C4' energy: -13.732
flat angles C4'-P-C4' energy: -16.263
flat angles P-C4'-P energy: -13.463
tors. eta vs tors. theta energy: -23.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -273.364335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.364335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.364335 (E_RNA)
where:
Base-Base interactions energy: -190.475
where: short stacking energy: -76.847
Base-Backbone interact. energy: 0.029
local terms energy: -82.917863
where:
bonds (distance) C4'-P energy: -17.641
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -19.022
flat angles P-C4'-P energy: -10.089
tors. eta vs tors. theta energy: -19.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -259.817339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.817339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.817339 (E_RNA)
where:
Base-Base interactions energy: -177.596
where: short stacking energy: -73.318
Base-Backbone interact. energy: -0.349
local terms energy: -81.872343
where:
bonds (distance) C4'-P energy: -11.561
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -19.038
flat angles P-C4'-P energy: -9.470
tors. eta vs tors. theta energy: -25.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -172.780332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.780332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.780332 (E_RNA)
where:
Base-Base interactions energy: -103.819
where: short stacking energy: -45.683
Base-Backbone interact. energy: -0.850
local terms energy: -68.111615
where:
bonds (distance) C4'-P energy: -18.165
bonds (distance) P-C4' energy: -17.496
flat angles C4'-P-C4' energy: -18.349
flat angles P-C4'-P energy: -11.996
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: 8, replica: 6
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -95.267262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.267262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.267262 (E_RNA)
where:
Base-Base interactions energy: -33.638
where: short stacking energy: -33.638
Base-Backbone interact. energy: -0.299
local terms energy: -61.330153
where:
bonds (distance) C4'-P energy: -20.845
bonds (distance) P-C4' energy: -11.819
flat angles C4'-P-C4' energy: -10.198
flat angles P-C4'-P energy: -15.699
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: 9, replica: 4
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -100.899348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.899348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.899348 (E_RNA)
where:
Base-Base interactions energy: -30.401
where: short stacking energy: -25.903
Base-Backbone interact. energy: -0.057
local terms energy: -70.441665
where:
bonds (distance) C4'-P energy: -17.809
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -17.752
flat angles P-C4'-P energy: -11.447
tors. eta vs tors. theta energy: -7.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -83.705807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.705807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.705807 (E_RNA)
where:
Base-Base interactions energy: -26.121
where: short stacking energy: -26.121
Base-Backbone interact. energy: 0.765
local terms energy: -58.349895
where:
bonds (distance) C4'-P energy: -14.461
bonds (distance) P-C4' energy: -20.165
flat angles C4'-P-C4' energy: -10.100
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -3.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -299.124510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.124510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.124510 (E_RNA)
where:
Base-Base interactions energy: -203.946
where: short stacking energy: -86.809
Base-Backbone interact. energy: -0.124
local terms energy: -95.054162
where:
bonds (distance) C4'-P energy: -18.965
bonds (distance) P-C4' energy: -19.329
flat angles C4'-P-C4' energy: -18.372
flat angles P-C4'-P energy: -16.533
tors. eta vs tors. theta energy: -21.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -294.333356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.333356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.333356 (E_RNA)
where:
Base-Base interactions energy: -192.345
where: short stacking energy: -80.507
Base-Backbone interact. energy: -0.474
local terms energy: -101.515288
where:
bonds (distance) C4'-P energy: -19.830
bonds (distance) P-C4' energy: -19.327
flat angles C4'-P-C4' energy: -22.128
flat angles P-C4'-P energy: -12.514
tors. eta vs tors. theta energy: -27.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -286.441972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.441972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.441972 (E_RNA)
where:
Base-Base interactions energy: -206.366
where: short stacking energy: -80.771
Base-Backbone interact. energy: 0.520
local terms energy: -80.595846
where:
bonds (distance) C4'-P energy: -19.660
bonds (distance) P-C4' energy: -17.838
flat angles C4'-P-C4' energy: -12.165
flat angles P-C4'-P energy: -11.720
tors. eta vs tors. theta energy: -19.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -276.148014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.148014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.148014 (E_RNA)
where:
Base-Base interactions energy: -184.599
where: short stacking energy: -72.728
Base-Backbone interact. energy: -0.138
local terms energy: -91.410993
where:
bonds (distance) C4'-P energy: -16.567
bonds (distance) P-C4' energy: -19.795
flat angles C4'-P-C4' energy: -20.182
flat angles P-C4'-P energy: -13.743
tors. eta vs tors. theta energy: -21.124
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: 5
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -269.299369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.299369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.299369 (E_RNA)
where:
Base-Base interactions energy: -171.044
where: short stacking energy: -74.737
Base-Backbone interact. energy: -0.214
local terms energy: -98.042113
where:
bonds (distance) C4'-P energy: -20.352
bonds (distance) P-C4' energy: -19.579
flat angles C4'-P-C4' energy: -17.285
flat angles P-C4'-P energy: -13.532
tors. eta vs tors. theta energy: -27.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -278.344724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.344724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.344724 (E_RNA)
where:
Base-Base interactions energy: -181.059
where: short stacking energy: -71.073
Base-Backbone interact. energy: -2.050
local terms energy: -95.236008
where:
bonds (distance) C4'-P energy: -19.524
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -20.694
flat angles P-C4'-P energy: -12.398
tors. eta vs tors. theta energy: -25.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -181.316014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.316014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.316014 (E_RNA)
where:
Base-Base interactions energy: -109.537
where: short stacking energy: -54.522
Base-Backbone interact. energy: -0.770
local terms energy: -71.008282
where:
bonds (distance) C4'-P energy: -15.058
bonds (distance) P-C4' energy: -16.602
flat angles C4'-P-C4' energy: -15.776
flat angles P-C4'-P energy: -11.765
tors. eta vs tors. theta energy: -11.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -100.132474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.132474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.132474 (E_RNA)
where:
Base-Base interactions energy: -37.486
where: short stacking energy: -31.942
Base-Backbone interact. energy: -0.029
local terms energy: -62.617717
where:
bonds (distance) C4'-P energy: -18.080
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -13.498
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: -4.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -97.843421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.843421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.843421 (E_RNA)
where:
Base-Base interactions energy: -35.017
where: short stacking energy: -33.596
Base-Backbone interact. energy: -0.163
local terms energy: -62.663514
where:
bonds (distance) C4'-P energy: -15.620
bonds (distance) P-C4' energy: -17.973
flat angles C4'-P-C4' energy: -17.833
flat angles P-C4'-P energy: -9.299
tors. eta vs tors. theta energy: -1.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -87.547098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.547098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.547098 (E_RNA)
where:
Base-Base interactions energy: -25.768
where: short stacking energy: -25.768
Base-Backbone interact. energy: -0.045
local terms energy: -61.734624
where:
bonds (distance) C4'-P energy: -17.330
bonds (distance) P-C4' energy: -17.192
flat angles C4'-P-C4' energy: -18.656
flat angles P-C4'-P energy: -12.656
tors. eta vs tors. theta energy: 4.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -291.913103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.913103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.913103 (E_RNA)
where:
Base-Base interactions energy: -204.327
where: short stacking energy: -81.107
Base-Backbone interact. energy: -1.575
local terms energy: -86.011606
where:
bonds (distance) C4'-P energy: -20.013
bonds (distance) P-C4' energy: -12.123
flat angles C4'-P-C4' energy: -16.671
flat angles P-C4'-P energy: -13.344
tors. eta vs tors. theta energy: -23.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -292.542839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.542839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.542839 (E_RNA)
where:
Base-Base interactions energy: -197.101
where: short stacking energy: -78.007
Base-Backbone interact. energy: -0.080
local terms energy: -95.362179
where:
bonds (distance) C4'-P energy: -17.620
bonds (distance) P-C4' energy: -17.962
flat angles C4'-P-C4' energy: -19.787
flat angles P-C4'-P energy: -12.506
tors. eta vs tors. theta energy: -27.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -282.710632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.710632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.710632 (E_RNA)
where:
Base-Base interactions energy: -197.120
where: short stacking energy: -74.780
Base-Backbone interact. energy: -0.020
local terms energy: -85.570086
where:
bonds (distance) C4'-P energy: -15.115
bonds (distance) P-C4' energy: -17.891
flat angles C4'-P-C4' energy: -16.609
flat angles P-C4'-P energy: -12.078
tors. eta vs tors. theta energy: -23.877
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: 4, replica: 10
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -285.596015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.596015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.596015 (E_RNA)
where:
Base-Base interactions energy: -189.344
where: short stacking energy: -73.664
Base-Backbone interact. energy: -2.818
local terms energy: -93.433862
where:
bonds (distance) C4'-P energy: -19.412
bonds (distance) P-C4' energy: -19.044
flat angles C4'-P-C4' energy: -16.521
flat angles P-C4'-P energy: -14.785
tors. eta vs tors. theta energy: -23.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -261.820382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.820382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.820382 (E_RNA)
where:
Base-Base interactions energy: -174.836
where: short stacking energy: -60.744
Base-Backbone interact. energy: -0.268
local terms energy: -86.715951
where:
bonds (distance) C4'-P energy: -16.804
bonds (distance) P-C4' energy: -18.868
flat angles C4'-P-C4' energy: -20.273
flat angles P-C4'-P energy: -13.034
tors. eta vs tors. theta energy: -17.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -255.503039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.503039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.503039 (E_RNA)
where:
Base-Base interactions energy: -177.105
where: short stacking energy: -73.903
Base-Backbone interact. energy: -0.144
local terms energy: -78.253893
where:
bonds (distance) C4'-P energy: -13.599
bonds (distance) P-C4' energy: -17.769
flat angles C4'-P-C4' energy: -17.144
flat angles P-C4'-P energy: -10.407
tors. eta vs tors. theta energy: -19.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -189.675558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.675558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.675558 (E_RNA)
where:
Base-Base interactions energy: -121.422
where: short stacking energy: -53.214
Base-Backbone interact. energy: -0.118
local terms energy: -68.134954
where:
bonds (distance) C4'-P energy: -13.641
bonds (distance) P-C4' energy: -17.250
flat angles C4'-P-C4' energy: -14.004
flat angles P-C4'-P energy: -8.148
tors. eta vs tors. theta energy: -15.092
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: 4
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -92.039879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.039879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.039879 (E_RNA)
where:
Base-Base interactions energy: -39.075
where: short stacking energy: -33.944
Base-Backbone interact. energy: -0.146
local terms energy: -52.818082
where:
bonds (distance) C4'-P energy: -13.885
bonds (distance) P-C4' energy: -15.331
flat angles C4'-P-C4' energy: -13.528
flat angles P-C4'-P energy: -4.504
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: 9, replica: 6
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -88.578890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.578890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.578890 (E_RNA)
where:
Base-Base interactions energy: -23.687
where: short stacking energy: -22.206
Base-Backbone interact. energy: -0.272
local terms energy: -64.620062
where:
bonds (distance) C4'-P energy: -15.683
bonds (distance) P-C4' energy: -17.887
flat angles C4'-P-C4' energy: -17.490
flat angles P-C4'-P energy: -10.509
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: 8
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -88.145597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.145597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.145597 (E_RNA)
where:
Base-Base interactions energy: -29.234
where: short stacking energy: -29.234
Base-Backbone interact. energy: -0.235
local terms energy: -58.677445
where:
bonds (distance) C4'-P energy: -15.011
bonds (distance) P-C4' energy: -15.343
flat angles C4'-P-C4' energy: -16.678
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: -0.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 137
Temperature: 0.900000
Total energy: -295.367896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.367896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.367896 (E_RNA)
where:
Base-Base interactions energy: -196.324
where: short stacking energy: -86.801
Base-Backbone interact. energy: 0.338
local terms energy: -99.381929
where:
bonds (distance) C4'-P energy: -15.101
bonds (distance) P-C4' energy: -19.202
flat angles C4'-P-C4' energy: -18.630
flat angles P-C4'-P energy: -17.480
tors. eta vs tors. theta energy: -28.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -295.104942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.104942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.104942 (E_RNA)
where:
Base-Base interactions energy: -198.355
where: short stacking energy: -77.527
Base-Backbone interact. energy: -0.024
local terms energy: -96.726103
where:
bonds (distance) C4'-P energy: -19.147
bonds (distance) P-C4' energy: -18.592
flat angles C4'-P-C4' energy: -22.551
flat angles P-C4'-P energy: -14.233
tors. eta vs tors. theta energy: -22.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -281.540287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.540287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.540287 (E_RNA)
where:
Base-Base interactions energy: -192.710
where: short stacking energy: -84.757
Base-Backbone interact. energy: -0.636
local terms energy: -88.194418
where:
bonds (distance) C4'-P energy: -16.635
bonds (distance) P-C4' energy: -16.965
flat angles C4'-P-C4' energy: -20.370
flat angles P-C4'-P energy: -11.033
tors. eta vs tors. theta energy: -23.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -273.128963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.128963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.128963 (E_RNA)
where:
Base-Base interactions energy: -185.784
where: short stacking energy: -76.795
Base-Backbone interact. energy: -0.006
local terms energy: -87.338471
where:
bonds (distance) C4'-P energy: -13.779
bonds (distance) P-C4' energy: -17.190
flat angles C4'-P-C4' energy: -20.180
flat angles P-C4'-P energy: -12.809
tors. eta vs tors. theta energy: -23.381
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: 1
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -267.707309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.707309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.707309 (E_RNA)
where:
Base-Base interactions energy: -184.403
where: short stacking energy: -74.949
Base-Backbone interact. energy: 0.486
local terms energy: -83.789967
where:
bonds (distance) C4'-P energy: -20.377
bonds (distance) P-C4' energy: -17.561
flat angles C4'-P-C4' energy: -19.385
flat angles P-C4'-P energy: -6.666
tors. eta vs tors. theta energy: -19.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -164.122836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.122836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.122836 (E_RNA)
where:
Base-Base interactions energy: -91.546
where: short stacking energy: -53.230
Base-Backbone interact. energy: -0.239
local terms energy: -72.337155
where:
bonds (distance) C4'-P energy: -18.194
bonds (distance) P-C4' energy: -18.705
flat angles C4'-P-C4' energy: -18.866
flat angles P-C4'-P energy: -7.944
tors. eta vs tors. theta energy: -8.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -263.027635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.027635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.027635 (E_RNA)
where:
Base-Base interactions energy: -178.961
where: short stacking energy: -76.656
Base-Backbone interact. energy: -0.034
local terms energy: -84.033019
where:
bonds (distance) C4'-P energy: -10.529
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -19.414
flat angles P-C4'-P energy: -12.359
tors. eta vs tors. theta energy: -23.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -96.578973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.578973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.578973 (E_RNA)
where:
Base-Base interactions energy: -42.577
where: short stacking energy: -29.597
Base-Backbone interact. energy: -0.191
local terms energy: -53.811153
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -15.887
flat angles C4'-P-C4' energy: -13.746
flat angles P-C4'-P energy: -13.445
tors. eta vs tors. theta energy: 1.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -86.786629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.786629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.786629 (E_RNA)
where:
Base-Base interactions energy: -26.772
where: short stacking energy: -24.808
Base-Backbone interact. energy: -0.264
local terms energy: -59.750645
where:
bonds (distance) C4'-P energy: -15.967
bonds (distance) P-C4' energy: -19.314
flat angles C4'-P-C4' energy: -13.150
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: -2.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -86.756357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.756357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.756357 (E_RNA)
where:
Base-Base interactions energy: -33.861
where: short stacking energy: -25.967
Base-Backbone interact. energy: -0.630
local terms energy: -52.265848
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -13.417
flat angles C4'-P-C4' energy: -15.883
flat angles P-C4'-P energy: -7.100
tors. eta vs tors. theta energy: 0.599
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: 3
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -292.101854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.101854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.101854 (E_RNA)
where:
Base-Base interactions energy: -197.167
where: short stacking energy: -80.932
Base-Backbone interact. energy: -0.135
local terms energy: -94.799647
where:
bonds (distance) C4'-P energy: -16.593
bonds (distance) P-C4' energy: -20.018
flat angles C4'-P-C4' energy: -20.253
flat angles P-C4'-P energy: -17.067
tors. eta vs tors. theta energy: -20.869
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: 9
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -285.103315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.103315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.103315 (E_RNA)
where:
Base-Base interactions energy: -192.155
where: short stacking energy: -83.602
Base-Backbone interact. energy: -0.028
local terms energy: -92.920029
where:
bonds (distance) C4'-P energy: -16.186
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -21.702
flat angles P-C4'-P energy: -12.365
tors. eta vs tors. theta energy: -25.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -276.563749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.563749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.563749 (E_RNA)
where:
Base-Base interactions energy: -188.693
where: short stacking energy: -79.324
Base-Backbone interact. energy: -0.018
local terms energy: -87.853207
where:
bonds (distance) C4'-P energy: -13.695
bonds (distance) P-C4' energy: -14.862
flat angles C4'-P-C4' energy: -21.362
flat angles P-C4'-P energy: -13.005
tors. eta vs tors. theta energy: -24.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -279.879954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.879954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.879954 (E_RNA)
where:
Base-Base interactions energy: -184.243
where: short stacking energy: -76.140
Base-Backbone interact. energy: -1.004
local terms energy: -94.632910
where:
bonds (distance) C4'-P energy: -18.245
bonds (distance) P-C4' energy: -21.117
flat angles C4'-P-C4' energy: -20.045
flat angles P-C4'-P energy: -14.417
tors. eta vs tors. theta energy: -20.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -275.899611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.899611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.899611 (E_RNA)
where:
Base-Base interactions energy: -186.170
where: short stacking energy: -81.823
Base-Backbone interact. energy: -1.496
local terms energy: -88.233764
where:
bonds (distance) C4'-P energy: -14.926
bonds (distance) P-C4' energy: -18.080
flat angles C4'-P-C4' energy: -18.092
flat angles P-C4'-P energy: -11.846
tors. eta vs tors. theta energy: -25.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -175.731086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.731086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.731086 (E_RNA)
where:
Base-Base interactions energy: -105.246
where: short stacking energy: -49.842
Base-Backbone interact. energy: -0.594
local terms energy: -69.891805
where:
bonds (distance) C4'-P energy: -16.580
bonds (distance) P-C4' energy: -16.362
flat angles C4'-P-C4' energy: -15.421
flat angles P-C4'-P energy: -11.421
tors. eta vs tors. theta energy: -10.108
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: 7, replica: 5
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -252.540953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.540953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.540953 (E_RNA)
where:
Base-Base interactions energy: -172.450
where: short stacking energy: -76.850
Base-Backbone interact. energy: -0.451
local terms energy: -79.639826
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -16.804
flat angles C4'-P-C4' energy: -18.800
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -20.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -101.122888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.122888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.122888 (E_RNA)
where:
Base-Base interactions energy: -40.472
where: short stacking energy: -40.472
Base-Backbone interact. energy: -0.108
local terms energy: -60.542438
where:
bonds (distance) C4'-P energy: -12.598
bonds (distance) P-C4' energy: -12.911
flat angles C4'-P-C4' energy: -16.802
flat angles P-C4'-P energy: -13.539
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: 4
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -91.121717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.121717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.121717 (E_RNA)
where:
Base-Base interactions energy: -37.587
where: short stacking energy: -18.728
Base-Backbone interact. energy: -0.175
local terms energy: -53.359752
where:
bonds (distance) C4'-P energy: -12.281
bonds (distance) P-C4' energy: -17.219
flat angles C4'-P-C4' energy: -21.349
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: 8.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -83.331881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.331881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.331881 (E_RNA)
where:
Base-Base interactions energy: -23.591
where: short stacking energy: -14.609
Base-Backbone interact. energy: 2.255
local terms energy: -61.995797
where:
bonds (distance) C4'-P energy: -19.847
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -13.879
flat angles P-C4'-P energy: -8.443
tors. eta vs tors. theta energy: -3.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -292.784197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.784197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.784197 (E_RNA)
where:
Base-Base interactions energy: -199.585
where: short stacking energy: -76.599
Base-Backbone interact. energy: -0.225
local terms energy: -92.974055
where:
bonds (distance) C4'-P energy: -15.980
bonds (distance) P-C4' energy: -21.550
flat angles C4'-P-C4' energy: -17.849
flat angles P-C4'-P energy: -15.321
tors. eta vs tors. theta energy: -22.274
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: 139
Temperature: 0.950000
Total energy: -287.048050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.048050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.048050 (E_RNA)
where:
Base-Base interactions energy: -191.143
where: short stacking energy: -86.092
Base-Backbone interact. energy: -0.787
local terms energy: -95.117753
where:
bonds (distance) C4'-P energy: -16.918
bonds (distance) P-C4' energy: -18.838
flat angles C4'-P-C4' energy: -19.168
flat angles P-C4'-P energy: -12.999
tors. eta vs tors. theta energy: -27.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -281.955127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.955127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.955127 (E_RNA)
where:
Base-Base interactions energy: -194.336
where: short stacking energy: -76.379
Base-Backbone interact. energy: 0.346
local terms energy: -87.966041
where:
bonds (distance) C4'-P energy: -13.632
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -16.799
flat angles P-C4'-P energy: -14.784
tors. eta vs tors. theta energy: -25.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -274.598401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.598401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.598401 (E_RNA)
where:
Base-Base interactions energy: -190.256
where: short stacking energy: -70.772
Base-Backbone interact. energy: -1.057
local terms energy: -83.285418
where:
bonds (distance) C4'-P energy: -17.389
bonds (distance) P-C4' energy: -12.798
flat angles C4'-P-C4' energy: -18.066
flat angles P-C4'-P energy: -13.047
tors. eta vs tors. theta energy: -21.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -287.028383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.028383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.028383 (E_RNA)
where:
Base-Base interactions energy: -192.170
where: short stacking energy: -77.348
Base-Backbone interact. energy: -0.361
local terms energy: -94.497549
where:
bonds (distance) C4'-P energy: -16.774
bonds (distance) P-C4' energy: -19.011
flat angles C4'-P-C4' energy: -19.028
flat angles P-C4'-P energy: -11.922
tors. eta vs tors. theta energy: -27.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -264.720264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.720264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.720264 (E_RNA)
where:
Base-Base interactions energy: -181.968
where: short stacking energy: -73.081
Base-Backbone interact. energy: -0.613
local terms energy: -82.138728
where:
bonds (distance) C4'-P energy: -16.977
bonds (distance) P-C4' energy: -19.542
flat angles C4'-P-C4' energy: -19.657
flat angles P-C4'-P energy: -6.411
tors. eta vs tors. theta energy: -19.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -174.044306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.044306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.044306 (E_RNA)
where:
Base-Base interactions energy: -113.877
where: short stacking energy: -45.911
Base-Backbone interact. energy: -0.320
local terms energy: -59.847726
where:
bonds (distance) C4'-P energy: -16.063
bonds (distance) P-C4' energy: -16.084
flat angles C4'-P-C4' energy: -14.386
flat angles P-C4'-P energy: -2.691
tors. eta vs tors. theta energy: -10.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -116.206380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.206380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.206380 (E_RNA)
where:
Base-Base interactions energy: -53.523
where: short stacking energy: -37.860
Base-Backbone interact. energy: -0.137
local terms energy: -62.546083
where:
bonds (distance) C4'-P energy: -15.188
bonds (distance) P-C4' energy: -17.776
flat angles C4'-P-C4' energy: -12.459
flat angles P-C4'-P energy: -10.471
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: 9, replica: 6
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -89.674574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.674574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.674574 (E_RNA)
where:
Base-Base interactions energy: -28.847
where: short stacking energy: -26.812
Base-Backbone interact. energy: -0.157
local terms energy: -60.670312
where:
bonds (distance) C4'-P energy: -13.496
bonds (distance) P-C4' energy: -19.749
flat angles C4'-P-C4' energy: -13.762
flat angles P-C4'-P energy: -10.677
tors. eta vs tors. theta energy: -2.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -86.590717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.590717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.590717 (E_RNA)
where:
Base-Base interactions energy: -32.114
where: short stacking energy: -18.184
Base-Backbone interact. energy: -0.339
local terms energy: -54.138390
where:
bonds (distance) C4'-P energy: -18.372
bonds (distance) P-C4' energy: -13.962
flat angles C4'-P-C4' energy: -9.250
flat angles P-C4'-P energy: -13.577
tors. eta vs tors. theta energy: 1.023
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: 1, replica: 10
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -293.584117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.584117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.584117 (E_RNA)
where:
Base-Base interactions energy: -203.118
where: short stacking energy: -75.515
Base-Backbone interact. energy: -1.292
local terms energy: -89.174647
where:
bonds (distance) C4'-P energy: -14.742
bonds (distance) P-C4' energy: -16.002
flat angles C4'-P-C4' energy: -18.462
flat angles P-C4'-P energy: -18.577
tors. eta vs tors. theta energy: -21.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -288.726722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.726722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.726722 (E_RNA)
where:
Base-Base interactions energy: -195.568
where: short stacking energy: -83.960
Base-Backbone interact. energy: -0.890
local terms energy: -92.268565
where:
bonds (distance) C4'-P energy: -18.870
bonds (distance) P-C4' energy: -18.598
flat angles C4'-P-C4' energy: -19.704
flat angles P-C4'-P energy: -11.507
tors. eta vs tors. theta energy: -23.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -294.762517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.762517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.762517 (E_RNA)
where:
Base-Base interactions energy: -193.744
where: short stacking energy: -88.114
Base-Backbone interact. energy: -0.900
local terms energy: -100.119048
where:
bonds (distance) C4'-P energy: -19.999
bonds (distance) P-C4' energy: -20.041
flat angles C4'-P-C4' energy: -20.363
flat angles P-C4'-P energy: -12.493
tors. eta vs tors. theta energy: -27.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -274.871810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.871810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.871810 (E_RNA)
where:
Base-Base interactions energy: -186.221
where: short stacking energy: -72.413
Base-Backbone interact. energy: -0.680
local terms energy: -87.970932
where:
bonds (distance) C4'-P energy: -15.644
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -21.103
flat angles P-C4'-P energy: -13.089
tors. eta vs tors. theta energy: -22.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -261.559470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.559470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.559470 (E_RNA)
where:
Base-Base interactions energy: -172.817
where: short stacking energy: -63.962
Base-Backbone interact. energy: 1.596
local terms energy: -90.337722
where:
bonds (distance) C4'-P energy: -18.932
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -19.335
flat angles P-C4'-P energy: -11.512
tors. eta vs tors. theta energy: -23.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -259.073693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.073693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.073693 (E_RNA)
where:
Base-Base interactions energy: -172.691
where: short stacking energy: -65.949
Base-Backbone interact. energy: -0.031
local terms energy: -86.352235
where:
bonds (distance) C4'-P energy: -11.517
bonds (distance) P-C4' energy: -22.107
flat angles C4'-P-C4' energy: -18.000
flat angles P-C4'-P energy: -11.182
tors. eta vs tors. theta energy: -23.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -193.401760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.401760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.401760 (E_RNA)
where:
Base-Base interactions energy: -119.583
where: short stacking energy: -45.052
Base-Backbone interact. energy: -0.772
local terms energy: -73.046622
where:
bonds (distance) C4'-P energy: -17.449
bonds (distance) P-C4' energy: -16.589
flat angles C4'-P-C4' energy: -16.397
flat angles P-C4'-P energy: -14.130
tors. eta vs tors. theta energy: -8.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -92.141972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.141972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.141972 (E_RNA)
where:
Base-Base interactions energy: -35.027
where: short stacking energy: -35.438
Base-Backbone interact. energy: 0.124
local terms energy: -57.239320
where:
bonds (distance) C4'-P energy: -13.607
bonds (distance) P-C4' energy: -16.693
flat angles C4'-P-C4' energy: -16.215
flat angles P-C4'-P energy: -9.772
tors. eta vs tors. theta energy: -0.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -92.495672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.495672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.495672 (E_RNA)
where:
Base-Base interactions energy: -35.807
where: short stacking energy: -25.103
Base-Backbone interact. energy: -0.385
local terms energy: -56.303321
where:
bonds (distance) C4'-P energy: -17.514
bonds (distance) P-C4' energy: -18.926
flat angles C4'-P-C4' energy: -19.405
flat angles P-C4'-P energy: -2.557
tors. eta vs tors. theta energy: 2.100
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: 8
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -83.212720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.212720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.212720 (E_RNA)
where:
Base-Base interactions energy: -22.530
where: short stacking energy: -22.099
Base-Backbone interact. energy: 1.004
local terms energy: -61.686658
where:
bonds (distance) C4'-P energy: -14.248
bonds (distance) P-C4' energy: -19.051
flat angles C4'-P-C4' energy: -12.888
flat angles P-C4'-P energy: -7.666
tors. eta vs tors. theta energy: -7.834
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: 10
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -296.153860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.153860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.153860 (E_RNA)
where:
Base-Base interactions energy: -199.122
where: short stacking energy: -81.488
Base-Backbone interact. energy: -1.626
local terms energy: -95.406509
where:
bonds (distance) C4'-P energy: -17.255
bonds (distance) P-C4' energy: -20.817
flat angles C4'-P-C4' energy: -18.606
flat angles P-C4'-P energy: -12.090
tors. eta vs tors. theta energy: -26.638
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: 9
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -284.340004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.340004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.340004 (E_RNA)
where:
Base-Base interactions energy: -179.983
where: short stacking energy: -80.605
Base-Backbone interact. energy: -2.306
local terms energy: -102.051302
where:
bonds (distance) C4'-P energy: -16.730
bonds (distance) P-C4' energy: -20.654
flat angles C4'-P-C4' energy: -20.860
flat angles P-C4'-P energy: -17.386
tors. eta vs tors. theta energy: -26.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -288.432884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.432884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.432884 (E_RNA)
where:
Base-Base interactions energy: -192.731
where: short stacking energy: -76.348
Base-Backbone interact. energy: -0.118
local terms energy: -95.584147
where:
bonds (distance) C4'-P energy: -20.149
bonds (distance) P-C4' energy: -19.034
flat angles C4'-P-C4' energy: -21.383
flat angles P-C4'-P energy: -12.083
tors. eta vs tors. theta energy: -22.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -258.025970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.025970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.025970 (E_RNA)
where:
Base-Base interactions energy: -172.840
where: short stacking energy: -77.018
Base-Backbone interact. energy: 0.996
local terms energy: -86.181722
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -19.044
flat angles C4'-P-C4' energy: -18.350
flat angles P-C4'-P energy: -12.206
tors. eta vs tors. theta energy: -23.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -273.206076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.206076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.206076 (E_RNA)
where:
Base-Base interactions energy: -176.545
where: short stacking energy: -72.759
Base-Backbone interact. energy: -0.070
local terms energy: -96.591648
where:
bonds (distance) C4'-P energy: -16.686
bonds (distance) P-C4' energy: -18.812
flat angles C4'-P-C4' energy: -19.030
flat angles P-C4'-P energy: -17.094
tors. eta vs tors. theta energy: -24.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -252.002947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.002947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.002947 (E_RNA)
where:
Base-Base interactions energy: -179.277
where: short stacking energy: -69.029
Base-Backbone interact. energy: 5.393
local terms energy: -78.118982
where:
bonds (distance) C4'-P energy: -11.350
bonds (distance) P-C4' energy: -17.120
flat angles C4'-P-C4' energy: -16.267
flat angles P-C4'-P energy: -16.966
tors. eta vs tors. theta energy: -16.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -187.761783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.761783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.761783 (E_RNA)
where:
Base-Base interactions energy: -123.180
where: short stacking energy: -43.399
Base-Backbone interact. energy: -0.131
local terms energy: -64.450941
where:
bonds (distance) C4'-P energy: -13.115
bonds (distance) P-C4' energy: -17.067
flat angles C4'-P-C4' energy: -16.219
flat angles P-C4'-P energy: -6.232
tors. eta vs tors. theta energy: -11.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -107.025387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.025387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.025387 (E_RNA)
where:
Base-Base interactions energy: -43.976
where: short stacking energy: -39.984
Base-Backbone interact. energy: -0.144
local terms energy: -62.906174
where:
bonds (distance) C4'-P energy: -17.003
bonds (distance) P-C4' energy: -17.791
flat angles C4'-P-C4' energy: -18.942
flat angles P-C4'-P energy: -6.116
tors. eta vs tors. theta energy: -3.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -80.717490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.717490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.717490 (E_RNA)
where:
Base-Base interactions energy: -24.647
where: short stacking energy: -24.647
Base-Backbone interact. energy: -0.099
local terms energy: -55.971408
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -12.939
flat angles C4'-P-C4' energy: -14.478
flat angles P-C4'-P energy: -12.116
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: 10, replica: 8
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -88.230470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.230470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.230470 (E_RNA)
where:
Base-Base interactions energy: -29.743
where: short stacking energy: -29.021
Base-Backbone interact. energy: -0.125
local terms energy: -58.362283
where:
bonds (distance) C4'-P energy: -15.223
bonds (distance) P-C4' energy: -12.689
flat angles C4'-P-C4' energy: -18.775
flat angles P-C4'-P energy: -8.900
tors. eta vs tors. theta energy: -2.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 142
Temperature: 0.900000
Total energy: -291.684880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.684880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.684880 (E_RNA)
where:
Base-Base interactions energy: -197.306
where: short stacking energy: -85.712
Base-Backbone interact. energy: -0.124
local terms energy: -94.254889
where:
bonds (distance) C4'-P energy: -14.030
bonds (distance) P-C4' energy: -19.982
flat angles C4'-P-C4' energy: -20.745
flat angles P-C4'-P energy: -11.731
tors. eta vs tors. theta energy: -27.766
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: 10
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -286.652510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.652510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.652510 (E_RNA)
where:
Base-Base interactions energy: -191.183
where: short stacking energy: -86.171
Base-Backbone interact. energy: -1.960
local terms energy: -93.509474
where:
bonds (distance) C4'-P energy: -20.468
bonds (distance) P-C4' energy: -14.806
flat angles C4'-P-C4' energy: -15.947
flat angles P-C4'-P energy: -13.634
tors. eta vs tors. theta energy: -28.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -279.201165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.201165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.201165 (E_RNA)
where:
Base-Base interactions energy: -190.044
where: short stacking energy: -74.721
Base-Backbone interact. energy: -0.185
local terms energy: -88.972529
where:
bonds (distance) C4'-P energy: -16.730
bonds (distance) P-C4' energy: -17.218
flat angles C4'-P-C4' energy: -19.076
flat angles P-C4'-P energy: -15.107
tors. eta vs tors. theta energy: -20.841
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: 5
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -267.870253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.870253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.870253 (E_RNA)
where:
Base-Base interactions energy: -176.421
where: short stacking energy: -75.007
Base-Backbone interact. energy: -0.267
local terms energy: -91.182810
where:
bonds (distance) C4'-P energy: -16.667
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -14.543
flat angles P-C4'-P energy: -13.918
tors. eta vs tors. theta energy: -27.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -264.834539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.834539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.834539 (E_RNA)
where:
Base-Base interactions energy: -186.743
where: short stacking energy: -71.020
Base-Backbone interact. energy: -0.337
local terms energy: -77.754323
where:
bonds (distance) C4'-P energy: -16.055
bonds (distance) P-C4' energy: -15.855
flat angles C4'-P-C4' energy: -16.227
flat angles P-C4'-P energy: -10.414
tors. eta vs tors. theta energy: -19.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -261.339524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.339524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.339524 (E_RNA)
where:
Base-Base interactions energy: -173.314
where: short stacking energy: -71.052
Base-Backbone interact. energy: -0.533
local terms energy: -87.492499
where:
bonds (distance) C4'-P energy: -16.179
bonds (distance) P-C4' energy: -18.350
flat angles C4'-P-C4' energy: -20.343
flat angles P-C4'-P energy: -10.619
tors. eta vs tors. theta energy: -22.002
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: 2
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -194.058483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.058483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.058483 (E_RNA)
where:
Base-Base interactions energy: -128.820
where: short stacking energy: -50.923
Base-Backbone interact. energy: 2.729
local terms energy: -67.967810
where:
bonds (distance) C4'-P energy: -12.365
bonds (distance) P-C4' energy: -18.101
flat angles C4'-P-C4' energy: -15.727
flat angles P-C4'-P energy: -11.870
tors. eta vs tors. theta energy: -9.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -95.881055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.881055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.881055 (E_RNA)
where:
Base-Base interactions energy: -34.067
where: short stacking energy: -30.702
Base-Backbone interact. energy: -1.349
local terms energy: -60.464250
where:
bonds (distance) C4'-P energy: -15.876
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -14.850
flat angles P-C4'-P energy: -9.381
tors. eta vs tors. theta energy: -3.680
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: 8
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -95.654022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.654022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.654022 (E_RNA)
where:
Base-Base interactions energy: -37.598
where: short stacking energy: -21.040
Base-Backbone interact. energy: -0.289
local terms energy: -57.766931
where:
bonds (distance) C4'-P energy: -14.005
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -15.696
flat angles P-C4'-P energy: -9.860
tors. eta vs tors. theta energy: -1.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -82.130347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.130347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.130347 (E_RNA)
where:
Base-Base interactions energy: -23.839
where: short stacking energy: -22.493
Base-Backbone interact. energy: -0.091
local terms energy: -58.199939
where:
bonds (distance) C4'-P energy: -14.497
bonds (distance) P-C4' energy: -13.695
flat angles C4'-P-C4' energy: -18.431
flat angles P-C4'-P energy: -11.774
tors. eta vs tors. theta energy: 0.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -285.256130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.256130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.256130 (E_RNA)
where:
Base-Base interactions energy: -194.084
where: short stacking energy: -76.763
Base-Backbone interact. energy: -0.467
local terms energy: -90.705871
where:
bonds (distance) C4'-P energy: -20.956
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -18.316
flat angles P-C4'-P energy: -11.631
tors. eta vs tors. theta energy: -23.117
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: 3
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -282.650503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.650503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.650503 (E_RNA)
where:
Base-Base interactions energy: -190.774
where: short stacking energy: -72.471
Base-Backbone interact. energy: -0.632
local terms energy: -91.244363
where:
bonds (distance) C4'-P energy: -19.515
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -18.219
flat angles P-C4'-P energy: -11.623
tors. eta vs tors. theta energy: -24.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -276.648133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.648133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.648133 (E_RNA)
where:
Base-Base interactions energy: -182.263
where: short stacking energy: -81.879
Base-Backbone interact. energy: -0.469
local terms energy: -93.916102
where:
bonds (distance) C4'-P energy: -18.451
bonds (distance) P-C4' energy: -17.505
flat angles C4'-P-C4' energy: -17.533
flat angles P-C4'-P energy: -14.896
tors. eta vs tors. theta energy: -25.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -285.100038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.100038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.100038 (E_RNA)
where:
Base-Base interactions energy: -198.891
where: short stacking energy: -86.800
Base-Backbone interact. energy: -0.675
local terms energy: -85.534267
where:
bonds (distance) C4'-P energy: -13.996
bonds (distance) P-C4' energy: -17.630
flat angles C4'-P-C4' energy: -16.099
flat angles P-C4'-P energy: -13.792
tors. eta vs tors. theta energy: -24.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -266.625144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.625144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.625144 (E_RNA)
where:
Base-Base interactions energy: -173.801
where: short stacking energy: -67.689
Base-Backbone interact. energy: -0.183
local terms energy: -92.641657
where:
bonds (distance) C4'-P energy: -17.405
bonds (distance) P-C4' energy: -19.872
flat angles C4'-P-C4' energy: -20.267
flat angles P-C4'-P energy: -13.375
tors. eta vs tors. theta energy: -21.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -268.646502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.646502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.646502 (E_RNA)
where:
Base-Base interactions energy: -172.682
where: short stacking energy: -78.409
Base-Backbone interact. energy: -0.703
local terms energy: -95.261456
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -19.970
flat angles C4'-P-C4' energy: -20.958
flat angles P-C4'-P energy: -16.109
tors. eta vs tors. theta energy: -23.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -184.817780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.817780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.817780 (E_RNA)
where:
Base-Base interactions energy: -121.625
where: short stacking energy: -51.332
Base-Backbone interact. energy: -0.149
local terms energy: -63.043267
where:
bonds (distance) C4'-P energy: -19.348
bonds (distance) P-C4' energy: -14.043
flat angles C4'-P-C4' energy: -14.894
flat angles P-C4'-P energy: -6.446
tors. eta vs tors. theta energy: -8.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -101.346333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.346333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.346333 (E_RNA)
where:
Base-Base interactions energy: -43.634
where: short stacking energy: -23.902
Base-Backbone interact. energy: -1.180
local terms energy: -56.531493
where:
bonds (distance) C4'-P energy: -16.241
bonds (distance) P-C4' energy: -17.631
flat angles C4'-P-C4' energy: -20.191
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: 5.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -92.876866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.876866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.876866 (E_RNA)
where:
Base-Base interactions energy: -31.094
where: short stacking energy: -31.094
Base-Backbone interact. energy: -0.718
local terms energy: -61.064794
where:
bonds (distance) C4'-P energy: -19.185
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -16.807
flat angles P-C4'-P energy: -8.395
tors. eta vs tors. theta energy: 0.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -84.304784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.304784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.304784 (E_RNA)
where:
Base-Base interactions energy: -32.004
where: short stacking energy: -19.744
Base-Backbone interact. energy: -0.477
local terms energy: -51.824542
where:
bonds (distance) C4'-P energy: -17.589
bonds (distance) P-C4' energy: -19.424
flat angles C4'-P-C4' energy: -11.576
flat angles P-C4'-P energy: -9.370
tors. eta vs tors. theta energy: 6.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -298.274637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.274637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.274637 (E_RNA)
where:
Base-Base interactions energy: -200.437
where: short stacking energy: -76.175
Base-Backbone interact. energy: -0.340
local terms energy: -97.497221
where:
bonds (distance) C4'-P energy: -18.542
bonds (distance) P-C4' energy: -17.968
flat angles C4'-P-C4' energy: -19.927
flat angles P-C4'-P energy: -15.460
tors. eta vs tors. theta energy: -25.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -291.049756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.049756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.049756 (E_RNA)
where:
Base-Base interactions energy: -196.614
where: short stacking energy: -81.970
Base-Backbone interact. energy: -0.400
local terms energy: -94.036166
where:
bonds (distance) C4'-P energy: -18.934
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -20.806
flat angles P-C4'-P energy: -9.280
tors. eta vs tors. theta energy: -27.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -279.254886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.254886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.254886 (E_RNA)
where:
Base-Base interactions energy: -184.682
where: short stacking energy: -77.430
Base-Backbone interact. energy: -0.255
local terms energy: -94.317893
where:
bonds (distance) C4'-P energy: -18.373
bonds (distance) P-C4' energy: -18.309
flat angles C4'-P-C4' energy: -18.805
flat angles P-C4'-P energy: -15.793
tors. eta vs tors. theta energy: -23.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -269.382311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.382311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.382311 (E_RNA)
where:
Base-Base interactions energy: -179.901
where: short stacking energy: -68.571
Base-Backbone interact. energy: -0.530
local terms energy: -88.951565
where:
bonds (distance) C4'-P energy: -19.395
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -18.217
flat angles P-C4'-P energy: -12.601
tors. eta vs tors. theta energy: -24.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -267.774490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.774490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.774490 (E_RNA)
where:
Base-Base interactions energy: -177.968
where: short stacking energy: -67.642
Base-Backbone interact. energy: -0.085
local terms energy: -89.721862
where:
bonds (distance) C4'-P energy: -17.574
bonds (distance) P-C4' energy: -21.929
flat angles C4'-P-C4' energy: -16.275
flat angles P-C4'-P energy: -14.116
tors. eta vs tors. theta energy: -19.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -256.312278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.312278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.312278 (E_RNA)
where:
Base-Base interactions energy: -173.608
where: short stacking energy: -71.249
Base-Backbone interact. energy: -0.479
local terms energy: -82.225753
where:
bonds (distance) C4'-P energy: -12.423
bonds (distance) P-C4' energy: -18.635
flat angles C4'-P-C4' energy: -21.513
flat angles P-C4'-P energy: -10.601
tors. eta vs tors. theta energy: -19.054
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: 2
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -177.821394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.821394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.821394 (E_RNA)
where:
Base-Base interactions energy: -104.290
where: short stacking energy: -45.770
Base-Backbone interact. energy: -1.311
local terms energy: -72.219729
where:
bonds (distance) C4'-P energy: -16.259
bonds (distance) P-C4' energy: -15.501
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -12.811
tors. eta vs tors. theta energy: -11.763
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: 6
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -122.130193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.130193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.130193 (E_RNA)
where:
Base-Base interactions energy: -48.320
where: short stacking energy: -39.456
Base-Backbone interact. energy: -0.739
local terms energy: -73.071189
where:
bonds (distance) C4'-P energy: -16.435
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -16.914
flat angles P-C4'-P energy: -12.624
tors. eta vs tors. theta energy: -12.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -92.038488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.038488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.038488 (E_RNA)
where:
Base-Base interactions energy: -41.756
where: short stacking energy: -36.395
Base-Backbone interact. energy: 1.207
local terms energy: -51.489568
where:
bonds (distance) C4'-P energy: -16.182
bonds (distance) P-C4' energy: -14.985
flat angles C4'-P-C4' energy: -6.727
flat angles P-C4'-P energy: -10.613
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: 10, replica: 8
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -92.553783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.553783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.553783 (E_RNA)
where:
Base-Base interactions energy: -31.167
where: short stacking energy: -26.292
Base-Backbone interact. energy: 0.472
local terms energy: -61.858226
where:
bonds (distance) C4'-P energy: -19.297
bonds (distance) P-C4' energy: -19.334
flat angles C4'-P-C4' energy: -13.094
flat angles P-C4'-P energy: -9.609
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: 1, replica: 3
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -297.661204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.661204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.661204 (E_RNA)
where:
Base-Base interactions energy: -200.218
where: short stacking energy: -74.349
Base-Backbone interact. energy: 1.358
local terms energy: -98.801628
where:
bonds (distance) C4'-P energy: -19.569
bonds (distance) P-C4' energy: -19.527
flat angles C4'-P-C4' energy: -19.442
flat angles P-C4'-P energy: -16.086
tors. eta vs tors. theta energy: -24.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 145
Temperature: 0.950000
Total energy: -289.904533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.904533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.904533 (E_RNA)
where:
Base-Base interactions energy: -196.390
where: short stacking energy: -75.344
Base-Backbone interact. energy: -0.281
local terms energy: -93.233040
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -22.841
flat angles C4'-P-C4' energy: -17.068
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -27.624
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: 9
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -293.309734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.309734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.309734 (E_RNA)
where:
Base-Base interactions energy: -193.928
where: short stacking energy: -79.976
Base-Backbone interact. energy: -0.522
local terms energy: -98.860212
where:
bonds (distance) C4'-P energy: -16.042
bonds (distance) P-C4' energy: -18.291
flat angles C4'-P-C4' energy: -20.938
flat angles P-C4'-P energy: -16.522
tors. eta vs tors. theta energy: -27.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -283.529345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.529345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.529345 (E_RNA)
where:
Base-Base interactions energy: -199.781
where: short stacking energy: -77.324
Base-Backbone interact. energy: -0.130
local terms energy: -83.618851
where:
bonds (distance) C4'-P energy: -16.233
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -16.102
flat angles P-C4'-P energy: -12.691
tors. eta vs tors. theta energy: -21.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -272.822774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.822774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.822774 (E_RNA)
where:
Base-Base interactions energy: -189.498
where: short stacking energy: -75.820
Base-Backbone interact. energy: -0.066
local terms energy: -83.258601
where:
bonds (distance) C4'-P energy: -13.832
bonds (distance) P-C4' energy: -17.556
flat angles C4'-P-C4' energy: -18.674
flat angles P-C4'-P energy: -9.237
tors. eta vs tors. theta energy: -23.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -272.251578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.251578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.251578 (E_RNA)
where:
Base-Base interactions energy: -193.939
where: short stacking energy: -78.722
Base-Backbone interact. energy: -0.617
local terms energy: -77.694985
where:
bonds (distance) C4'-P energy: -14.917
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -16.991
flat angles P-C4'-P energy: -8.305
tors. eta vs tors. theta energy: -22.269
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: 2
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -174.266532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.266532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.266532 (E_RNA)
where:
Base-Base interactions energy: -106.132
where: short stacking energy: -42.121
Base-Backbone interact. energy: -0.118
local terms energy: -68.016678
where:
bonds (distance) C4'-P energy: -16.879
bonds (distance) P-C4' energy: -20.630
flat angles C4'-P-C4' energy: -16.687
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: -4.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -108.870016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.870016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.870016 (E_RNA)
where:
Base-Base interactions energy: -36.873
where: short stacking energy: -32.620
Base-Backbone interact. energy: -0.270
local terms energy: -71.727012
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -20.469
flat angles C4'-P-C4' energy: -16.421
flat angles P-C4'-P energy: -13.837
tors. eta vs tors. theta energy: -6.541
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: 4
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -96.271103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.271103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.271103 (E_RNA)
where:
Base-Base interactions energy: -36.442
where: short stacking energy: -29.710
Base-Backbone interact. energy: 0.644
local terms energy: -60.473193
where:
bonds (distance) C4'-P energy: -19.299
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -13.086
flat angles P-C4'-P energy: -4.423
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: 10, replica: 8
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -100.986750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.986750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.986750 (E_RNA)
where:
Base-Base interactions energy: -37.102
where: short stacking energy: -32.915
Base-Backbone interact. energy: -0.509
local terms energy: -63.376035
where:
bonds (distance) C4'-P energy: -16.574
bonds (distance) P-C4' energy: -16.024
flat angles C4'-P-C4' energy: -16.657
flat angles P-C4'-P energy: -9.970
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: 1, replica: 1
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -287.976271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.976271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.976271 (E_RNA)
where:
Base-Base interactions energy: -195.757
where: short stacking energy: -80.135
Base-Backbone interact. energy: -0.061
local terms energy: -92.157999
where:
bonds (distance) C4'-P energy: -16.612
bonds (distance) P-C4' energy: -17.571
flat angles C4'-P-C4' energy: -20.385
flat angles P-C4'-P energy: -11.475
tors. eta vs tors. theta energy: -26.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -285.664485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.664485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.664485 (E_RNA)
where:
Base-Base interactions energy: -195.046
where: short stacking energy: -84.969
Base-Backbone interact. energy: -0.102
local terms energy: -90.515788
where:
bonds (distance) C4'-P energy: -18.587
bonds (distance) P-C4' energy: -18.157
flat angles C4'-P-C4' energy: -19.512
flat angles P-C4'-P energy: -8.647
tors. eta vs tors. theta energy: -25.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -277.631559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.631559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.631559 (E_RNA)
where:
Base-Base interactions energy: -192.713
where: short stacking energy: -71.285
Base-Backbone interact. energy: -1.834
local terms energy: -83.084390
where:
bonds (distance) C4'-P energy: -17.481
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -17.096
flat angles P-C4'-P energy: -8.995
tors. eta vs tors. theta energy: -24.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -280.332060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.332060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.332060 (E_RNA)
where:
Base-Base interactions energy: -186.876
where: short stacking energy: -79.186
Base-Backbone interact. energy: -0.005
local terms energy: -93.451761
where:
bonds (distance) C4'-P energy: -16.295
bonds (distance) P-C4' energy: -18.364
flat angles C4'-P-C4' energy: -21.983
flat angles P-C4'-P energy: -13.327
tors. eta vs tors. theta energy: -23.483
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: 10
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -271.975772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.975772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.975772 (E_RNA)
where:
Base-Base interactions energy: -191.483
where: short stacking energy: -74.351
Base-Backbone interact. energy: -0.873
local terms energy: -79.619795
where:
bonds (distance) C4'-P energy: -12.927
bonds (distance) P-C4' energy: -15.360
flat angles C4'-P-C4' energy: -18.291
flat angles P-C4'-P energy: -15.753
tors. eta vs tors. theta energy: -17.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -266.133988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.133988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.133988 (E_RNA)
where:
Base-Base interactions energy: -176.203
where: short stacking energy: -70.236
Base-Backbone interact. energy: -0.032
local terms energy: -89.899295
where:
bonds (distance) C4'-P energy: -13.762
bonds (distance) P-C4' energy: -18.756
flat angles C4'-P-C4' energy: -17.255
flat angles P-C4'-P energy: -15.536
tors. eta vs tors. theta energy: -24.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -189.552036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.552036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.552036 (E_RNA)
where:
Base-Base interactions energy: -118.014
where: short stacking energy: -67.798
Base-Backbone interact. energy: -0.686
local terms energy: -70.852358
where:
bonds (distance) C4'-P energy: -13.865
bonds (distance) P-C4' energy: -17.363
flat angles C4'-P-C4' energy: -10.760
flat angles P-C4'-P energy: -10.151
tors. eta vs tors. theta energy: -18.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -105.318598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.318598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.318598 (E_RNA)
where:
Base-Base interactions energy: -35.321
where: short stacking energy: -35.321
Base-Backbone interact. energy: -0.370
local terms energy: -69.627788
where:
bonds (distance) C4'-P energy: -19.032
bonds (distance) P-C4' energy: -18.777
flat angles C4'-P-C4' energy: -19.675
flat angles P-C4'-P energy: -4.073
tors. eta vs tors. theta energy: -8.071
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: 4
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -92.641602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.641602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.641602 (E_RNA)
where:
Base-Base interactions energy: -32.429
where: short stacking energy: -32.429
Base-Backbone interact. energy: 1.905
local terms energy: -62.117534
where:
bonds (distance) C4'-P energy: -12.609
bonds (distance) P-C4' energy: -13.695
flat angles C4'-P-C4' energy: -20.477
flat angles P-C4'-P energy: -14.047
tors. eta vs tors. theta energy: -1.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -91.669427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.669427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.669427 (E_RNA)
where:
Base-Base interactions energy: -39.396
where: short stacking energy: -24.036
Base-Backbone interact. energy: -0.171
local terms energy: -52.101933
where:
bonds (distance) C4'-P energy: -18.784
bonds (distance) P-C4' energy: -20.514
flat angles C4'-P-C4' energy: -6.854
flat angles P-C4'-P energy: -8.956
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: 1, replica: 1
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -292.247657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.247657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.247657 (E_RNA)
where:
Base-Base interactions energy: -199.187
where: short stacking energy: -82.871
Base-Backbone interact. energy: -0.221
local terms energy: -92.839711
where:
bonds (distance) C4'-P energy: -15.305
bonds (distance) P-C4' energy: -20.952
flat angles C4'-P-C4' energy: -18.918
flat angles P-C4'-P energy: -13.931
tors. eta vs tors. theta energy: -23.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -283.101691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.101691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.101691 (E_RNA)
where:
Base-Base interactions energy: -190.082
where: short stacking energy: -70.772
Base-Backbone interact. energy: -1.362
local terms energy: -91.657743
where:
bonds (distance) C4'-P energy: -18.658
bonds (distance) P-C4' energy: -21.236
flat angles C4'-P-C4' energy: -18.335
flat angles P-C4'-P energy: -9.981
tors. eta vs tors. theta energy: -23.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -283.304544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.304544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.304544 (E_RNA)
where:
Base-Base interactions energy: -188.495
where: short stacking energy: -80.338
Base-Backbone interact. energy: -2.543
local terms energy: -92.266569
where:
bonds (distance) C4'-P energy: -15.351
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -20.162
flat angles P-C4'-P energy: -16.102
tors. eta vs tors. theta energy: -22.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -278.527127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.527127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.527127 (E_RNA)
where:
Base-Base interactions energy: -191.109
where: short stacking energy: -75.898
Base-Backbone interact. energy: -0.368
local terms energy: -87.049923
where:
bonds (distance) C4'-P energy: -17.487
bonds (distance) P-C4' energy: -15.683
flat angles C4'-P-C4' energy: -20.290
flat angles P-C4'-P energy: -10.289
tors. eta vs tors. theta energy: -23.301
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: 10
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -269.669391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.669391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.669391 (E_RNA)
where:
Base-Base interactions energy: -188.943
where: short stacking energy: -75.954
Base-Backbone interact. energy: -0.930
local terms energy: -79.796131
where:
bonds (distance) C4'-P energy: -19.229
bonds (distance) P-C4' energy: -17.876
flat angles C4'-P-C4' energy: -12.648
flat angles P-C4'-P energy: -10.444
tors. eta vs tors. theta energy: -19.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -255.253640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.253640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.253640 (E_RNA)
where:
Base-Base interactions energy: -172.369
where: short stacking energy: -73.013
Base-Backbone interact. energy: -0.040
local terms energy: -82.843820
where:
bonds (distance) C4'-P energy: -18.657
bonds (distance) P-C4' energy: -11.827
flat angles C4'-P-C4' energy: -18.980
flat angles P-C4'-P energy: -13.492
tors. eta vs tors. theta energy: -19.888
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: 2
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -200.980526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.980526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.980526 (E_RNA)
where:
Base-Base interactions energy: -134.242
where: short stacking energy: -57.097
Base-Backbone interact. energy: -0.101
local terms energy: -66.636966
where:
bonds (distance) C4'-P energy: -11.185
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -16.866
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -15.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -91.651788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.651788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.651788 (E_RNA)
where:
Base-Base interactions energy: -36.659
where: short stacking energy: -35.993
Base-Backbone interact. energy: 0.075
local terms energy: -55.068425
where:
bonds (distance) C4'-P energy: -14.749
bonds (distance) P-C4' energy: -16.047
flat angles C4'-P-C4' energy: -10.508
flat angles P-C4'-P energy: -3.681
tors. eta vs tors. theta energy: -10.083
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: 6
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -95.014703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.014703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.014703 (E_RNA)
where:
Base-Base interactions energy: -34.512
where: short stacking energy: -27.849
Base-Backbone interact. energy: -0.548
local terms energy: -59.954773
where:
bonds (distance) C4'-P energy: -13.806
bonds (distance) P-C4' energy: -18.523
flat angles C4'-P-C4' energy: -14.415
flat angles P-C4'-P energy: -8.013
tors. eta vs tors. theta energy: -5.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -87.819795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.819795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.819795 (E_RNA)
where:
Base-Base interactions energy: -34.290
where: short stacking energy: -20.379
Base-Backbone interact. energy: -0.402
local terms energy: -53.127819
where:
bonds (distance) C4'-P energy: -15.657
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -8.095
flat angles P-C4'-P energy: -7.720
tors. eta vs tors. theta energy: -3.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -290.998175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.998175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.998175 (E_RNA)
where:
Base-Base interactions energy: -195.541
where: short stacking energy: -85.111
Base-Backbone interact. energy: -0.313
local terms energy: -95.144443
where:
bonds (distance) C4'-P energy: -15.895
bonds (distance) P-C4' energy: -18.317
flat angles C4'-P-C4' energy: -22.430
flat angles P-C4'-P energy: -12.384
tors. eta vs tors. theta energy: -26.118
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: 1
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -288.049489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.049489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.049489 (E_RNA)
where:
Base-Base interactions energy: -197.565
where: short stacking energy: -86.285
Base-Backbone interact. energy: -0.378
local terms energy: -90.107264
where:
bonds (distance) C4'-P energy: -18.187
bonds (distance) P-C4' energy: -18.774
flat angles C4'-P-C4' energy: -15.696
flat angles P-C4'-P energy: -12.495
tors. eta vs tors. theta energy: -24.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -282.240101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.240101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.240101 (E_RNA)
where:
Base-Base interactions energy: -186.988
where: short stacking energy: -77.300
Base-Backbone interact. energy: -0.321
local terms energy: -94.931446
where:
bonds (distance) C4'-P energy: -18.141
bonds (distance) P-C4' energy: -19.706
flat angles C4'-P-C4' energy: -17.343
flat angles P-C4'-P energy: -13.761
tors. eta vs tors. theta energy: -25.980
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: 9
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -259.670187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.670187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.670187 (E_RNA)
where:
Base-Base interactions energy: -174.333
where: short stacking energy: -68.366
Base-Backbone interact. energy: -0.023
local terms energy: -85.314731
where:
bonds (distance) C4'-P energy: -16.825
bonds (distance) P-C4' energy: -17.259
flat angles C4'-P-C4' energy: -16.589
flat angles P-C4'-P energy: -16.944
tors. eta vs tors. theta energy: -17.697
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: 7
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -246.652071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.652071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.652071 (E_RNA)
where:
Base-Base interactions energy: -164.722
where: short stacking energy: -71.567
Base-Backbone interact. energy: -0.238
local terms energy: -81.692381
where:
bonds (distance) C4'-P energy: -13.686
bonds (distance) P-C4' energy: -16.099
flat angles C4'-P-C4' energy: -19.193
flat angles P-C4'-P energy: -10.196
tors. eta vs tors. theta energy: -22.519
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: 10
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -265.176226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.176226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.176226 (E_RNA)
where:
Base-Base interactions energy: -184.339
where: short stacking energy: -72.872
Base-Backbone interact. energy: -0.605
local terms energy: -80.231663
where:
bonds (distance) C4'-P energy: -17.888
bonds (distance) P-C4' energy: -13.311
flat angles C4'-P-C4' energy: -14.373
flat angles P-C4'-P energy: -12.812
tors. eta vs tors. theta energy: -21.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -235.865265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.865265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.865265 (E_RNA)
where:
Base-Base interactions energy: -165.716
where: short stacking energy: -64.743
Base-Backbone interact. energy: -0.192
local terms energy: -69.957058
where:
bonds (distance) C4'-P energy: -10.823
bonds (distance) P-C4' energy: -19.572
flat angles C4'-P-C4' energy: -13.794
flat angles P-C4'-P energy: -6.680
tors. eta vs tors. theta energy: -19.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -97.148359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.148359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.148359 (E_RNA)
where:
Base-Base interactions energy: -30.825
where: short stacking energy: -27.249
Base-Backbone interact. energy: -0.306
local terms energy: -66.016754
where:
bonds (distance) C4'-P energy: -16.569
bonds (distance) P-C4' energy: -19.704
flat angles C4'-P-C4' energy: -14.131
flat angles P-C4'-P energy: -11.590
tors. eta vs tors. theta energy: -4.023
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: 9, replica: 8
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -93.379423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.379423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.379423 (E_RNA)
where:
Base-Base interactions energy: -29.942
where: short stacking energy: -27.399
Base-Backbone interact. energy: -0.860
local terms energy: -62.576962
where:
bonds (distance) C4'-P energy: -18.330
bonds (distance) P-C4' energy: -20.717
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -7.485
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: 10, replica: 6
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -81.477099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.477099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.477099 (E_RNA)
where:
Base-Base interactions energy: -40.220
where: short stacking energy: -30.229
Base-Backbone interact. energy: -1.058
local terms energy: -40.199754
where:
bonds (distance) C4'-P energy: -16.600
bonds (distance) P-C4' energy: -13.204
flat angles C4'-P-C4' energy: -10.534
flat angles P-C4'-P energy: -2.025
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: 1, replica: 3
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -290.891750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.891750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.891750 (E_RNA)
where:
Base-Base interactions energy: -192.503
where: short stacking energy: -75.850
Base-Backbone interact. energy: -1.392
local terms energy: -96.996224
where:
bonds (distance) C4'-P energy: -18.955
bonds (distance) P-C4' energy: -14.716
flat angles C4'-P-C4' energy: -21.215
flat angles P-C4'-P energy: -15.829
tors. eta vs tors. theta energy: -26.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -286.146169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.146169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.146169 (E_RNA)
where:
Base-Base interactions energy: -190.506
where: short stacking energy: -78.301
Base-Backbone interact. energy: -1.003
local terms energy: -94.637359
where:
bonds (distance) C4'-P energy: -18.488
bonds (distance) P-C4' energy: -22.212
flat angles C4'-P-C4' energy: -19.441
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: -23.415
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: 149
Temperature: 1.000000
Total energy: -285.830395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.830395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.830395 (E_RNA)
where:
Base-Base interactions energy: -190.047
where: short stacking energy: -86.108
Base-Backbone interact. energy: -0.063
local terms energy: -95.720275
where:
bonds (distance) C4'-P energy: -18.214
bonds (distance) P-C4' energy: -15.049
flat angles C4'-P-C4' energy: -19.319
flat angles P-C4'-P energy: -16.627
tors. eta vs tors. theta energy: -26.512
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: 149
Temperature: 1.050000
Total energy: -270.084614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.084614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.084614 (E_RNA)
where:
Base-Base interactions energy: -184.718
where: short stacking energy: -74.396
Base-Backbone interact. energy: -0.023
local terms energy: -85.343708
where:
bonds (distance) C4'-P energy: -20.928
bonds (distance) P-C4' energy: -13.225
flat angles C4'-P-C4' energy: -17.472
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: -23.184
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: 9
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -274.107354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.107354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.107354 (E_RNA)
where:
Base-Base interactions energy: -192.079
where: short stacking energy: -73.543
Base-Backbone interact. energy: -0.159
local terms energy: -81.868701
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -15.394
flat angles C4'-P-C4' energy: -15.818
flat angles P-C4'-P energy: -11.577
tors. eta vs tors. theta energy: -23.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -269.587401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.587401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.587401 (E_RNA)
where:
Base-Base interactions energy: -188.973
where: short stacking energy: -75.025
Base-Backbone interact. energy: -0.198
local terms energy: -80.415845
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -13.808
flat angles C4'-P-C4' energy: -18.304
flat angles P-C4'-P energy: -8.102
tors. eta vs tors. theta energy: -24.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -199.301791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.301791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.301791 (E_RNA)
where:
Base-Base interactions energy: -126.491
where: short stacking energy: -48.848
Base-Backbone interact. energy: -0.179
local terms energy: -72.631346
where:
bonds (distance) C4'-P energy: -19.573
bonds (distance) P-C4' energy: -17.446
flat angles C4'-P-C4' energy: -12.929
flat angles P-C4'-P energy: -10.696
tors. eta vs tors. theta energy: -11.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -99.796359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.796359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.796359 (E_RNA)
where:
Base-Base interactions energy: -27.743
where: short stacking energy: -27.096
Base-Backbone interact. energy: -0.098
local terms energy: -71.954853
where:
bonds (distance) C4'-P energy: -17.834
bonds (distance) P-C4' energy: -20.581
flat angles C4'-P-C4' energy: -11.022
flat angles P-C4'-P energy: -15.100
tors. eta vs tors. theta energy: -7.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -88.647389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.647389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.647389 (E_RNA)
where:
Base-Base interactions energy: -29.630
where: short stacking energy: -25.615
Base-Backbone interact. energy: -0.603
local terms energy: -58.413680
where:
bonds (distance) C4'-P energy: -13.653
bonds (distance) P-C4' energy: -18.301
flat angles C4'-P-C4' energy: -14.570
flat angles P-C4'-P energy: -12.169
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: 10, replica: 6
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -79.422981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.422981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.422981 (E_RNA)
where:
Base-Base interactions energy: -19.623
where: short stacking energy: -19.168
Base-Backbone interact. energy: -0.612
local terms energy: -59.187587
where:
bonds (distance) C4'-P energy: -18.564
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -12.818
flat angles P-C4'-P energy: -11.297
tors. eta vs tors. theta energy: -1.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -297.274487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.274487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.274487 (E_RNA)
where:
Base-Base interactions energy: -202.021
where: short stacking energy: -79.729
Base-Backbone interact. energy: -0.246
local terms energy: -95.007231
where:
bonds (distance) C4'-P energy: -19.280
bonds (distance) P-C4' energy: -17.650
flat angles C4'-P-C4' energy: -20.748
flat angles P-C4'-P energy: -12.485
tors. eta vs tors. theta energy: -24.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -288.040495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.040495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.040495 (E_RNA)
where:
Base-Base interactions energy: -194.835
where: short stacking energy: -79.230
Base-Backbone interact. energy: -0.049
local terms energy: -93.156520
where:
bonds (distance) C4'-P energy: -12.120
bonds (distance) P-C4' energy: -18.238
flat angles C4'-P-C4' energy: -21.253
flat angles P-C4'-P energy: -14.958
tors. eta vs tors. theta energy: -26.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -280.218320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.218320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.218320 (E_RNA)
where:
Base-Base interactions energy: -186.033
where: short stacking energy: -78.183
Base-Backbone interact. energy: -0.178
local terms energy: -94.008121
where:
bonds (distance) C4'-P energy: -17.936
bonds (distance) P-C4' energy: -14.820
flat angles C4'-P-C4' energy: -22.372
flat angles P-C4'-P energy: -14.131
tors. eta vs tors. theta energy: -24.748
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: 1
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -283.381953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.381953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.381953 (E_RNA)
where:
Base-Base interactions energy: -191.921
where: short stacking energy: -78.048
Base-Backbone interact. energy: -1.418
local terms energy: -90.042526
where:
bonds (distance) C4'-P energy: -18.530
bonds (distance) P-C4' energy: -17.446
flat angles C4'-P-C4' energy: -16.798
flat angles P-C4'-P energy: -13.780
tors. eta vs tors. theta energy: -23.489
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: 9
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -268.027471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.027471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.027471 (E_RNA)
where:
Base-Base interactions energy: -185.258
where: short stacking energy: -70.725
Base-Backbone interact. energy: -0.245
local terms energy: -82.524275
where:
bonds (distance) C4'-P energy: -12.345
bonds (distance) P-C4' energy: -18.355
flat angles C4'-P-C4' energy: -20.477
flat angles P-C4'-P energy: -11.006
tors. eta vs tors. theta energy: -20.342
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: 6, replica: 10
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -254.459954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.459954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.459954 (E_RNA)
where:
Base-Base interactions energy: -166.962
where: short stacking energy: -73.465
Base-Backbone interact. energy: -1.348
local terms energy: -86.149537
where:
bonds (distance) C4'-P energy: -16.216
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -19.149
flat angles P-C4'-P energy: -13.772
tors. eta vs tors. theta energy: -20.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -230.488431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.488431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.488431 (E_RNA)
where:
Base-Base interactions energy: -155.383
where: short stacking energy: -55.489
Base-Backbone interact. energy: 1.103
local terms energy: -76.207631
where:
bonds (distance) C4'-P energy: -14.199
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -17.307
flat angles P-C4'-P energy: -11.441
tors. eta vs tors. theta energy: -16.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -101.639098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.639098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.639098 (E_RNA)
where:
Base-Base interactions energy: -39.796
where: short stacking energy: -37.798
Base-Backbone interact. energy: 1.561
local terms energy: -63.404338
where:
bonds (distance) C4'-P energy: -13.368
bonds (distance) P-C4' energy: -21.148
flat angles C4'-P-C4' energy: -9.366
flat angles P-C4'-P energy: -7.972
tors. eta vs tors. theta energy: -11.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -109.408929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.408929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.408929 (E_RNA)
where:
Base-Base interactions energy: -50.188
where: short stacking energy: -32.181
Base-Backbone interact. energy: -0.645
local terms energy: -58.575962
where:
bonds (distance) C4'-P energy: -16.159
bonds (distance) P-C4' energy: -20.606
flat angles C4'-P-C4' energy: -7.818
flat angles P-C4'-P energy: -7.716
tors. eta vs tors. theta energy: -6.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -114.030644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.030644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.030644 (E_RNA)
where:
Base-Base interactions energy: -52.464
where: short stacking energy: -26.085
Base-Backbone interact. energy: -0.265
local terms energy: -61.301882
where:
bonds (distance) C4'-P energy: -12.371
bonds (distance) P-C4' energy: -12.729
flat angles C4'-P-C4' energy: -17.888
flat angles P-C4'-P energy: -12.262
tors. eta vs tors. theta energy: -6.052
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: 1, replica: 3
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -292.575847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.575847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.575847 (E_RNA)
where:
Base-Base interactions energy: -198.966
where: short stacking energy: -80.724
Base-Backbone interact. energy: -0.360
local terms energy: -93.249735
where:
bonds (distance) C4'-P energy: -16.385
bonds (distance) P-C4' energy: -15.869
flat angles C4'-P-C4' energy: -20.695
flat angles P-C4'-P energy: -15.587
tors. eta vs tors. theta energy: -24.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -287.942016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.942016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.942016 (E_RNA)
where:
Base-Base interactions energy: -192.816
where: short stacking energy: -82.347
Base-Backbone interact. energy: -0.073
local terms energy: -95.053187
where:
bonds (distance) C4'-P energy: -17.359
bonds (distance) P-C4' energy: -21.081
flat angles C4'-P-C4' energy: -17.084
flat angles P-C4'-P energy: -12.950
tors. eta vs tors. theta energy: -26.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -276.117909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.117909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.117909 (E_RNA)
where:
Base-Base interactions energy: -181.509
where: short stacking energy: -74.544
Base-Backbone interact. energy: -0.396
local terms energy: -94.213319
where:
bonds (distance) C4'-P energy: -16.254
bonds (distance) P-C4' energy: -20.817
flat angles C4'-P-C4' energy: -19.112
flat angles P-C4'-P energy: -11.822
tors. eta vs tors. theta energy: -26.209
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: 1
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -281.327160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.327160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.327160 (E_RNA)
where:
Base-Base interactions energy: -187.092
where: short stacking energy: -78.437
Base-Backbone interact. energy: -0.884
local terms energy: -93.351490
where:
bonds (distance) C4'-P energy: -18.790
bonds (distance) P-C4' energy: -18.728
flat angles C4'-P-C4' energy: -21.731
flat angles P-C4'-P energy: -11.352
tors. eta vs tors. theta energy: -22.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -268.544958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.544958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.544958 (E_RNA)
where:
Base-Base interactions energy: -185.575
where: short stacking energy: -81.788
Base-Backbone interact. energy: -1.719
local terms energy: -81.250289
where:
bonds (distance) C4'-P energy: -15.732
bonds (distance) P-C4' energy: -15.552
flat angles C4'-P-C4' energy: -17.937
flat angles P-C4'-P energy: -8.517
tors. eta vs tors. theta energy: -23.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -241.684361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.684361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.684361 (E_RNA)
where:
Base-Base interactions energy: -160.565
where: short stacking energy: -77.753
Base-Backbone interact. energy: -0.100
local terms energy: -81.019366
where:
bonds (distance) C4'-P energy: -11.820
bonds (distance) P-C4' energy: -18.762
flat angles C4'-P-C4' energy: -16.264
flat angles P-C4'-P energy: -8.040
tors. eta vs tors. theta energy: -26.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -235.140218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.140218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.140218 (E_RNA)
where:
Base-Base interactions energy: -154.984
where: short stacking energy: -62.759
Base-Backbone interact. energy: -0.010
local terms energy: -80.146131
where:
bonds (distance) C4'-P energy: -16.034
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -17.212
flat angles P-C4'-P energy: -8.668
tors. eta vs tors. theta energy: -19.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -94.741738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.741738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.741738 (E_RNA)
where:
Base-Base interactions energy: -32.691
where: short stacking energy: -24.312
Base-Backbone interact. energy: -0.219
local terms energy: -61.832550
where:
bonds (distance) C4'-P energy: -15.641
bonds (distance) P-C4' energy: -19.352
flat angles C4'-P-C4' energy: -11.928
flat angles P-C4'-P energy: -7.643
tors. eta vs tors. theta energy: -7.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -93.649908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.649908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.649908 (E_RNA)
where:
Base-Base interactions energy: -37.375
where: short stacking energy: -21.320
Base-Backbone interact. energy: 1.252
local terms energy: -57.526809
where:
bonds (distance) C4'-P energy: -17.980
bonds (distance) P-C4' energy: -12.116
flat angles C4'-P-C4' energy: -15.169
flat angles P-C4'-P energy: -12.504
tors. eta vs tors. theta energy: 0.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -86.329055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.329055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.329055 (E_RNA)
where:
Base-Base interactions energy: -22.132
where: short stacking energy: -18.919
Base-Backbone interact. energy: -1.010
local terms energy: -63.186875
where:
bonds (distance) C4'-P energy: -19.156
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -12.422
flat angles P-C4'-P energy: -11.423
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: 5
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -293.913080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.913080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.913080 (E_RNA)
where:
Base-Base interactions energy: -190.898
where: short stacking energy: -81.255
Base-Backbone interact. energy: -0.002
local terms energy: -103.012803
where:
bonds (distance) C4'-P energy: -18.820
bonds (distance) P-C4' energy: -19.253
flat angles C4'-P-C4' energy: -22.269
flat angles P-C4'-P energy: -15.432
tors. eta vs tors. theta energy: -27.238
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: 3
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -286.035074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.035074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.035074 (E_RNA)
where:
Base-Base interactions energy: -202.734
where: short stacking energy: -82.713
Base-Backbone interact. energy: -0.011
local terms energy: -83.289877
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -17.233
flat angles C4'-P-C4' energy: -17.807
flat angles P-C4'-P energy: -10.870
tors. eta vs tors. theta energy: -24.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -280.580066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.580066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.580066 (E_RNA)
where:
Base-Base interactions energy: -191.290
where: short stacking energy: -76.516
Base-Backbone interact. energy: -0.299
local terms energy: -88.991628
where:
bonds (distance) C4'-P energy: -16.663
bonds (distance) P-C4' energy: -18.519
flat angles C4'-P-C4' energy: -16.268
flat angles P-C4'-P energy: -11.708
tors. eta vs tors. theta energy: -25.833
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: 7
=====================================
Write number: 152
Temperature: 1.050000
Total energy: -273.553481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.553481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.553481 (E_RNA)
where:
Base-Base interactions energy: -191.252
where: short stacking energy: -77.895
Base-Backbone interact. energy: -0.120
local terms energy: -82.181520
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -21.161
flat angles C4'-P-C4' energy: -17.457
flat angles P-C4'-P energy: -12.092
tors. eta vs tors. theta energy: -18.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -271.510351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.510351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.510351 (E_RNA)
where:
Base-Base interactions energy: -182.728
where: short stacking energy: -66.720
Base-Backbone interact. energy: -0.381
local terms energy: -88.401511
where:
bonds (distance) C4'-P energy: -19.418
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -19.853
flat angles P-C4'-P energy: -12.979
tors. eta vs tors. theta energy: -17.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -264.078939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.078939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.078939 (E_RNA)
where:
Base-Base interactions energy: -178.332
where: short stacking energy: -69.846
Base-Backbone interact. energy: 0.355
local terms energy: -86.101605
where:
bonds (distance) C4'-P energy: -15.509
bonds (distance) P-C4' energy: -21.983
flat angles C4'-P-C4' energy: -15.909
flat angles P-C4'-P energy: -9.355
tors. eta vs tors. theta energy: -23.346
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: 7, replica: 2
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -250.683188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.683188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.683188 (E_RNA)
where:
Base-Base interactions energy: -174.263
where: short stacking energy: -74.973
Base-Backbone interact. energy: 0.802
local terms energy: -77.222045
where:
bonds (distance) C4'-P energy: -8.552
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -17.171
flat angles P-C4'-P energy: -11.778
tors. eta vs tors. theta energy: -21.853
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: 8, replica: 6
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -93.533623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.533623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.533623 (E_RNA)
where:
Base-Base interactions energy: -39.085
where: short stacking energy: -35.185
Base-Backbone interact. energy: -0.381
local terms energy: -54.067510
where:
bonds (distance) C4'-P energy: -17.338
bonds (distance) P-C4' energy: -20.010
flat angles C4'-P-C4' energy: -8.204
flat angles P-C4'-P energy: -7.577
tors. eta vs tors. theta energy: -0.940
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: 4
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -98.461324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.461324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.461324 (E_RNA)
where:
Base-Base interactions energy: -39.881
where: short stacking energy: -31.086
Base-Backbone interact. energy: 1.013
local terms energy: -59.592726
where:
bonds (distance) C4'-P energy: -17.711
bonds (distance) P-C4' energy: -20.138
flat angles C4'-P-C4' energy: -11.985
flat angles P-C4'-P energy: -5.997
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: 10, replica: 8
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -95.390738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.390738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.390738 (E_RNA)
where:
Base-Base interactions energy: -24.276
where: short stacking energy: -24.276
Base-Backbone interact. energy: -0.148
local terms energy: -70.966637
where:
bonds (distance) C4'-P energy: -18.726
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -18.746
flat angles P-C4'-P energy: -13.218
tors. eta vs tors. theta energy: -2.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -290.329803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.329803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.329803 (E_RNA)
where:
Base-Base interactions energy: -197.693
where: short stacking energy: -82.139
Base-Backbone interact. energy: -0.066
local terms energy: -92.570753
where:
bonds (distance) C4'-P energy: -17.669
bonds (distance) P-C4' energy: -18.237
flat angles C4'-P-C4' energy: -14.887
flat angles P-C4'-P energy: -15.740
tors. eta vs tors. theta energy: -26.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -290.986078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.986078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.986078 (E_RNA)
where:
Base-Base interactions energy: -191.939
where: short stacking energy: -77.978
Base-Backbone interact. energy: -0.029
local terms energy: -99.018402
where:
bonds (distance) C4'-P energy: -20.935
bonds (distance) P-C4' energy: -20.520
flat angles C4'-P-C4' energy: -20.134
flat angles P-C4'-P energy: -11.807
tors. eta vs tors. theta energy: -25.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -276.724131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.724131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.724131 (E_RNA)
where:
Base-Base interactions energy: -178.570
where: short stacking energy: -81.850
Base-Backbone interact. energy: -0.370
local terms energy: -97.784416
where:
bonds (distance) C4'-P energy: -20.750
bonds (distance) P-C4' energy: -21.761
flat angles C4'-P-C4' energy: -21.256
flat angles P-C4'-P energy: -8.916
tors. eta vs tors. theta energy: -25.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -275.239109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.239109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.239109 (E_RNA)
where:
Base-Base interactions energy: -190.530
where: short stacking energy: -66.613
Base-Backbone interact. energy: -0.541
local terms energy: -84.168205
where:
bonds (distance) C4'-P energy: -16.530
bonds (distance) P-C4' energy: -14.018
flat angles C4'-P-C4' energy: -18.594
flat angles P-C4'-P energy: -16.713
tors. eta vs tors. theta energy: -18.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -279.659886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.659886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.659886 (E_RNA)
where:
Base-Base interactions energy: -189.084
where: short stacking energy: -78.564
Base-Backbone interact. energy: -1.239
local terms energy: -89.336835
where:
bonds (distance) C4'-P energy: -18.142
bonds (distance) P-C4' energy: -17.705
flat angles C4'-P-C4' energy: -16.800
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -26.062
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: 6, replica: 9
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -267.176780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.176780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.176780 (E_RNA)
where:
Base-Base interactions energy: -172.732
where: short stacking energy: -65.403
Base-Backbone interact. energy: -0.003
local terms energy: -94.441425
where:
bonds (distance) C4'-P energy: -21.564
bonds (distance) P-C4' energy: -18.633
flat angles C4'-P-C4' energy: -18.416
flat angles P-C4'-P energy: -10.314
tors. eta vs tors. theta energy: -25.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -253.106583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.106583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.106583 (E_RNA)
where:
Base-Base interactions energy: -170.212
where: short stacking energy: -73.251
Base-Backbone interact. energy: -0.617
local terms energy: -82.277832
where:
bonds (distance) C4'-P energy: -15.247
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -14.507
flat angles P-C4'-P energy: -13.710
tors. eta vs tors. theta energy: -21.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -90.809596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.809596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.809596 (E_RNA)
where:
Base-Base interactions energy: -28.690
where: short stacking energy: -25.206
Base-Backbone interact. energy: -0.281
local terms energy: -61.838072
where:
bonds (distance) C4'-P energy: -17.364
bonds (distance) P-C4' energy: -14.399
flat angles C4'-P-C4' energy: -18.130
flat angles P-C4'-P energy: -9.003
tors. eta vs tors. theta energy: -2.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -100.041529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.041529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.041529 (E_RNA)
where:
Base-Base interactions energy: -37.224
where: short stacking energy: -30.396
Base-Backbone interact. energy: 0.132
local terms energy: -62.949606
where:
bonds (distance) C4'-P energy: -16.817
bonds (distance) P-C4' energy: -18.280
flat angles C4'-P-C4' energy: -12.865
flat angles P-C4'-P energy: -11.568
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: 10, replica: 8
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -133.433947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.433947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.433947 (E_RNA)
where:
Base-Base interactions energy: -69.874
where: short stacking energy: -41.964
Base-Backbone interact. energy: -0.052
local terms energy: -63.508138
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -17.096
flat angles C4'-P-C4' energy: -12.732
flat angles P-C4'-P energy: -11.247
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: 1, replica: 1
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -291.290865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.290865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.290865 (E_RNA)
where:
Base-Base interactions energy: -194.896
where: short stacking energy: -83.686
Base-Backbone interact. energy: -0.963
local terms energy: -95.431042
where:
bonds (distance) C4'-P energy: -17.881
bonds (distance) P-C4' energy: -19.706
flat angles C4'-P-C4' energy: -18.619
flat angles P-C4'-P energy: -13.125
tors. eta vs tors. theta energy: -26.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -287.507091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.507091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.507091 (E_RNA)
where:
Base-Base interactions energy: -193.577
where: short stacking energy: -76.329
Base-Backbone interact. energy: -0.709
local terms energy: -93.221499
where:
bonds (distance) C4'-P energy: -15.454
bonds (distance) P-C4' energy: -21.725
flat angles C4'-P-C4' energy: -20.488
flat angles P-C4'-P energy: -13.503
tors. eta vs tors. theta energy: -22.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -287.009444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.009444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.009444 (E_RNA)
where:
Base-Base interactions energy: -194.072
where: short stacking energy: -80.780
Base-Backbone interact. energy: -0.284
local terms energy: -92.653982
where:
bonds (distance) C4'-P energy: -16.992
bonds (distance) P-C4' energy: -16.220
flat angles C4'-P-C4' energy: -19.080
flat angles P-C4'-P energy: -13.883
tors. eta vs tors. theta energy: -26.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -263.147397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.147397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.147397 (E_RNA)
where:
Base-Base interactions energy: -170.508
where: short stacking energy: -72.745
Base-Backbone interact. energy: -0.046
local terms energy: -92.592972
where:
bonds (distance) C4'-P energy: -16.571
bonds (distance) P-C4' energy: -21.197
flat angles C4'-P-C4' energy: -15.928
flat angles P-C4'-P energy: -14.292
tors. eta vs tors. theta energy: -24.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -275.637408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.637408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.637408 (E_RNA)
where:
Base-Base interactions energy: -179.750
where: short stacking energy: -76.285
Base-Backbone interact. energy: 0.677
local terms energy: -96.563843
where:
bonds (distance) C4'-P energy: -22.289
bonds (distance) P-C4' energy: -19.252
flat angles C4'-P-C4' energy: -19.353
flat angles P-C4'-P energy: -11.472
tors. eta vs tors. theta energy: -24.198
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: 6, replica: 9
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -244.398800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.398800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.398800 (E_RNA)
where:
Base-Base interactions energy: -159.324
where: short stacking energy: -71.975
Base-Backbone interact. energy: -0.009
local terms energy: -85.066007
where:
bonds (distance) C4'-P energy: -18.163
bonds (distance) P-C4' energy: -18.412
flat angles C4'-P-C4' energy: -19.369
flat angles P-C4'-P energy: -8.569
tors. eta vs tors. theta energy: -20.552
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: 2
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -263.684178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.684178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.684178 (E_RNA)
where:
Base-Base interactions energy: -171.774
where: short stacking energy: -65.735
Base-Backbone interact. energy: -0.449
local terms energy: -91.461334
where:
bonds (distance) C4'-P energy: -19.752
bonds (distance) P-C4' energy: -18.046
flat angles C4'-P-C4' energy: -17.975
flat angles P-C4'-P energy: -15.113
tors. eta vs tors. theta energy: -20.575
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: 4
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -94.833306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.833306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.833306 (E_RNA)
where:
Base-Base interactions energy: -37.573
where: short stacking energy: -36.222
Base-Backbone interact. energy: -0.993
local terms energy: -56.267603
where:
bonds (distance) C4'-P energy: -18.559
bonds (distance) P-C4' energy: -18.985
flat angles C4'-P-C4' energy: -10.656
flat angles P-C4'-P energy: -5.957
tors. eta vs tors. theta energy: -2.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -97.951336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.951336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.951336 (E_RNA)
where:
Base-Base interactions energy: -34.401
where: short stacking energy: -33.192
Base-Backbone interact. energy: -0.364
local terms energy: -63.186417
where:
bonds (distance) C4'-P energy: -20.279
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -12.660
flat angles P-C4'-P energy: -10.820
tors. eta vs tors. theta energy: -1.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -80.349184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.349184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.349184 (E_RNA)
where:
Base-Base interactions energy: -22.233
where: short stacking energy: -18.859
Base-Backbone interact. energy: 2.187
local terms energy: -60.302958
where:
bonds (distance) C4'-P energy: -10.380
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -18.016
flat angles P-C4'-P energy: -11.027
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: 1, replica: 1
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -290.718298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.718298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.718298 (E_RNA)
where:
Base-Base interactions energy: -192.442
where: short stacking energy: -82.259
Base-Backbone interact. energy: -0.082
local terms energy: -98.194160
where:
bonds (distance) C4'-P energy: -19.557
bonds (distance) P-C4' energy: -16.574
flat angles C4'-P-C4' energy: -18.969
flat angles P-C4'-P energy: -15.455
tors. eta vs tors. theta energy: -27.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -283.266969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.266969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.266969 (E_RNA)
where:
Base-Base interactions energy: -189.709
where: short stacking energy: -71.775
Base-Backbone interact. energy: -0.020
local terms energy: -93.537651
where:
bonds (distance) C4'-P energy: -20.078
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -17.648
flat angles P-C4'-P energy: -11.618
tors. eta vs tors. theta energy: -26.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -286.403683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.403683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.403683 (E_RNA)
where:
Base-Base interactions energy: -187.134
where: short stacking energy: -81.840
Base-Backbone interact. energy: -1.215
local terms energy: -98.054654
where:
bonds (distance) C4'-P energy: -17.846
bonds (distance) P-C4' energy: -19.443
flat angles C4'-P-C4' energy: -18.567
flat angles P-C4'-P energy: -15.314
tors. eta vs tors. theta energy: -26.884
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: 10
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -282.800522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.800522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.800522 (E_RNA)
where:
Base-Base interactions energy: -194.364
where: short stacking energy: -75.277
Base-Backbone interact. energy: -0.191
local terms energy: -88.245741
where:
bonds (distance) C4'-P energy: -15.476
bonds (distance) P-C4' energy: -19.016
flat angles C4'-P-C4' energy: -16.975
flat angles P-C4'-P energy: -14.755
tors. eta vs tors. theta energy: -22.023
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: 3
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -256.613593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.613593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.613593 (E_RNA)
where:
Base-Base interactions energy: -174.456
where: short stacking energy: -66.707
Base-Backbone interact. energy: -0.516
local terms energy: -81.641196
where:
bonds (distance) C4'-P energy: -15.064
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -16.932
flat angles P-C4'-P energy: -10.793
tors. eta vs tors. theta energy: -21.985
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: 2
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -276.419601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.419601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.419601 (E_RNA)
where:
Base-Base interactions energy: -180.501
where: short stacking energy: -77.726
Base-Backbone interact. energy: -0.991
local terms energy: -94.927052
where:
bonds (distance) C4'-P energy: -16.526
bonds (distance) P-C4' energy: -19.897
flat angles C4'-P-C4' energy: -21.351
flat angles P-C4'-P energy: -12.152
tors. eta vs tors. theta energy: -25.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -256.875691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.875691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.875691 (E_RNA)
where:
Base-Base interactions energy: -169.682
where: short stacking energy: -68.030
Base-Backbone interact. energy: -0.938
local terms energy: -86.255745
where:
bonds (distance) C4'-P energy: -19.107
bonds (distance) P-C4' energy: -14.248
flat angles C4'-P-C4' energy: -16.884
flat angles P-C4'-P energy: -14.262
tors. eta vs tors. theta energy: -21.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -90.217357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.217357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.217357 (E_RNA)
where:
Base-Base interactions energy: -27.933
where: short stacking energy: -27.933
Base-Backbone interact. energy: -0.046
local terms energy: -62.237501
where:
bonds (distance) C4'-P energy: -17.583
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -13.791
flat angles P-C4'-P energy: -10.840
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: 9, replica: 4
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -123.417415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.417415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.417415 (E_RNA)
where:
Base-Base interactions energy: -62.001
where: short stacking energy: -47.190
Base-Backbone interact. energy: -1.148
local terms energy: -60.267480
where:
bonds (distance) C4'-P energy: -14.345
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -16.236
flat angles P-C4'-P energy: -2.885
tors. eta vs tors. theta energy: -10.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -88.201372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.201372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.201372 (E_RNA)
where:
Base-Base interactions energy: -36.152
where: short stacking energy: -25.742
Base-Backbone interact. energy: -0.433
local terms energy: -51.616405
where:
bonds (distance) C4'-P energy: -14.130
bonds (distance) P-C4' energy: -17.881
flat angles C4'-P-C4' energy: -16.420
flat angles P-C4'-P energy: -5.449
tors. eta vs tors. theta energy: 2.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -290.869945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.869945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.869945 (E_RNA)
where:
Base-Base interactions energy: -195.779
where: short stacking energy: -80.412
Base-Backbone interact. energy: -0.053
local terms energy: -95.037770
where:
bonds (distance) C4'-P energy: -18.179
bonds (distance) P-C4' energy: -19.915
flat angles C4'-P-C4' energy: -17.898
flat angles P-C4'-P energy: -11.355
tors. eta vs tors. theta energy: -27.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -279.979513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.979513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.979513 (E_RNA)
where:
Base-Base interactions energy: -193.208
where: short stacking energy: -74.969
Base-Backbone interact. energy: 0.011
local terms energy: -86.782000
where:
bonds (distance) C4'-P energy: -14.536
bonds (distance) P-C4' energy: -18.495
flat angles C4'-P-C4' energy: -17.653
flat angles P-C4'-P energy: -13.377
tors. eta vs tors. theta energy: -22.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -276.244165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.244165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.244165 (E_RNA)
where:
Base-Base interactions energy: -183.179
where: short stacking energy: -70.964
Base-Backbone interact. energy: -0.023
local terms energy: -93.041708
where:
bonds (distance) C4'-P energy: -17.882
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -20.148
flat angles P-C4'-P energy: -13.632
tors. eta vs tors. theta energy: -24.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -276.812145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.812145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.812145 (E_RNA)
where:
Base-Base interactions energy: -189.663
where: short stacking energy: -78.830
Base-Backbone interact. energy: -1.243
local terms energy: -85.905617
where:
bonds (distance) C4'-P energy: -18.933
bonds (distance) P-C4' energy: -15.127
flat angles C4'-P-C4' energy: -17.402
flat angles P-C4'-P energy: -14.499
tors. eta vs tors. theta energy: -19.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 156
Temperature: 1.100000
Total energy: -271.293073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.293073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.293073 (E_RNA)
where:
Base-Base interactions energy: -179.891
where: short stacking energy: -69.626
Base-Backbone interact. energy: -0.147
local terms energy: -91.254995
where:
bonds (distance) C4'-P energy: -14.573
bonds (distance) P-C4' energy: -20.767
flat angles C4'-P-C4' energy: -19.276
flat angles P-C4'-P energy: -13.527
tors. eta vs tors. theta energy: -23.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -271.751270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.751270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.751270 (E_RNA)
where:
Base-Base interactions energy: -174.691
where: short stacking energy: -81.332
Base-Backbone interact. energy: -0.010
local terms energy: -97.050888
where:
bonds (distance) C4'-P energy: -18.083
bonds (distance) P-C4' energy: -17.612
flat angles C4'-P-C4' energy: -19.477
flat angles P-C4'-P energy: -13.533
tors. eta vs tors. theta energy: -28.346
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: 7, replica: 9
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -257.264370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.264370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.264370 (E_RNA)
where:
Base-Base interactions energy: -174.526
where: short stacking energy: -66.624
Base-Backbone interact. energy: -0.056
local terms energy: -82.682864
where:
bonds (distance) C4'-P energy: -14.221
bonds (distance) P-C4' energy: -15.498
flat angles C4'-P-C4' energy: -18.914
flat angles P-C4'-P energy: -10.360
tors. eta vs tors. theta energy: -23.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -97.848451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.848451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.848451 (E_RNA)
where:
Base-Base interactions energy: -36.540
where: short stacking energy: -24.068
Base-Backbone interact. energy: -0.956
local terms energy: -60.351791
where:
bonds (distance) C4'-P energy: -15.301
bonds (distance) P-C4' energy: -19.620
flat angles C4'-P-C4' energy: -16.626
flat angles P-C4'-P energy: -10.930
tors. eta vs tors. theta energy: 2.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -99.783077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.783077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.783077 (E_RNA)
where:
Base-Base interactions energy: -35.025
where: short stacking energy: -30.194
Base-Backbone interact. energy: -0.284
local terms energy: -64.474478
where:
bonds (distance) C4'-P energy: -18.539
bonds (distance) P-C4' energy: -16.687
flat angles C4'-P-C4' energy: -15.310
flat angles P-C4'-P energy: -8.640
tors. eta vs tors. theta energy: -5.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -86.497557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.497557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.497557 (E_RNA)
where:
Base-Base interactions energy: -40.562
where: short stacking energy: -16.358
Base-Backbone interact. energy: 0.647
local terms energy: -46.582144
where:
bonds (distance) C4'-P energy: -16.065
bonds (distance) P-C4' energy: -14.552
flat angles C4'-P-C4' energy: -12.765
flat angles P-C4'-P energy: -7.262
tors. eta vs tors. theta energy: 4.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -298.801328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.801328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.801328 (E_RNA)
where:
Base-Base interactions energy: -206.542
where: short stacking energy: -85.711
Base-Backbone interact. energy: -0.002
local terms energy: -92.257228
where:
bonds (distance) C4'-P energy: -17.540
bonds (distance) P-C4' energy: -14.888
flat angles C4'-P-C4' energy: -19.534
flat angles P-C4'-P energy: -14.799
tors. eta vs tors. theta energy: -25.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -287.005288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.005288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.005288 (E_RNA)
where:
Base-Base interactions energy: -195.484
where: short stacking energy: -79.555
Base-Backbone interact. energy: 0.143
local terms energy: -91.664256
where:
bonds (distance) C4'-P energy: -13.760
bonds (distance) P-C4' energy: -19.238
flat angles C4'-P-C4' energy: -19.798
flat angles P-C4'-P energy: -16.861
tors. eta vs tors. theta energy: -22.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -290.469012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.469012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.469012 (E_RNA)
where:
Base-Base interactions energy: -194.376
where: short stacking energy: -86.632
Base-Backbone interact. energy: -0.361
local terms energy: -95.732630
where:
bonds (distance) C4'-P energy: -18.833
bonds (distance) P-C4' energy: -19.116
flat angles C4'-P-C4' energy: -19.079
flat angles P-C4'-P energy: -11.009
tors. eta vs tors. theta energy: -27.697
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: 2
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -274.614814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.614814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.614814 (E_RNA)
where:
Base-Base interactions energy: -181.516
where: short stacking energy: -71.829
Base-Backbone interact. energy: -0.324
local terms energy: -92.774340
where:
bonds (distance) C4'-P energy: -16.252
bonds (distance) P-C4' energy: -17.839
flat angles C4'-P-C4' energy: -19.782
flat angles P-C4'-P energy: -14.724
tors. eta vs tors. theta energy: -24.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -267.494009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.494009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.494009 (E_RNA)
where:
Base-Base interactions energy: -176.672
where: short stacking energy: -67.909
Base-Backbone interact. energy: -0.580
local terms energy: -90.242145
where:
bonds (distance) C4'-P energy: -19.758
bonds (distance) P-C4' energy: -19.172
flat angles C4'-P-C4' energy: -15.714
flat angles P-C4'-P energy: -15.991
tors. eta vs tors. theta energy: -19.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -270.937771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.937771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.937771 (E_RNA)
where:
Base-Base interactions energy: -182.268
where: short stacking energy: -70.838
Base-Backbone interact. energy: -0.651
local terms energy: -88.019084
where:
bonds (distance) C4'-P energy: -15.351
bonds (distance) P-C4' energy: -9.842
flat angles C4'-P-C4' energy: -21.402
flat angles P-C4'-P energy: -13.233
tors. eta vs tors. theta energy: -28.191
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: 7, replica: 3
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -252.838820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.838820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.838820 (E_RNA)
where:
Base-Base interactions energy: -165.294
where: short stacking energy: -74.135
Base-Backbone interact. energy: -0.972
local terms energy: -86.572137
where:
bonds (distance) C4'-P energy: -15.922
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -14.714
flat angles P-C4'-P energy: -12.054
tors. eta vs tors. theta energy: -26.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -101.624088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.624088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.624088 (E_RNA)
where:
Base-Base interactions energy: -37.155
where: short stacking energy: -37.155
Base-Backbone interact. energy: -0.077
local terms energy: -64.392763
where:
bonds (distance) C4'-P energy: -18.559
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -15.269
flat angles P-C4'-P energy: -10.855
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: 9, replica: 8
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -96.622770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.622770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.622770 (E_RNA)
where:
Base-Base interactions energy: -39.359
where: short stacking energy: -33.647
Base-Backbone interact. energy: 0.287
local terms energy: -57.550121
where:
bonds (distance) C4'-P energy: -18.014
bonds (distance) P-C4' energy: -8.411
flat angles C4'-P-C4' energy: -19.534
flat angles P-C4'-P energy: -11.575
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: 10, replica: 4
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -90.575765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.575765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.575765 (E_RNA)
where:
Base-Base interactions energy: -31.980
where: short stacking energy: -27.036
Base-Backbone interact. energy: -1.761
local terms energy: -56.834653
where:
bonds (distance) C4'-P energy: -14.970
bonds (distance) P-C4' energy: -20.985
flat angles C4'-P-C4' energy: -12.731
flat angles P-C4'-P energy: -7.888
tors. eta vs tors. theta energy: -0.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -286.636844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.636844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.636844 (E_RNA)
where:
Base-Base interactions energy: -205.251
where: short stacking energy: -68.561
Base-Backbone interact. energy: -0.859
local terms energy: -80.526402
where:
bonds (distance) C4'-P energy: -14.378
bonds (distance) P-C4' energy: -14.332
flat angles C4'-P-C4' energy: -15.816
flat angles P-C4'-P energy: -14.630
tors. eta vs tors. theta energy: -21.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -291.623561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.623561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.623561 (E_RNA)
where:
Base-Base interactions energy: -193.176
where: short stacking energy: -86.033
Base-Backbone interact. energy: -2.256
local terms energy: -96.191302
where:
bonds (distance) C4'-P energy: -19.779
bonds (distance) P-C4' energy: -20.322
flat angles C4'-P-C4' energy: -18.151
flat angles P-C4'-P energy: -14.425
tors. eta vs tors. theta energy: -23.515
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: 2
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -286.518833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.518833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.518833 (E_RNA)
where:
Base-Base interactions energy: -190.895
where: short stacking energy: -80.364
Base-Backbone interact. energy: -0.101
local terms energy: -95.523306
where:
bonds (distance) C4'-P energy: -16.233
bonds (distance) P-C4' energy: -16.739
flat angles C4'-P-C4' energy: -22.810
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: -28.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -276.418125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.418125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.418125 (E_RNA)
where:
Base-Base interactions energy: -191.978
where: short stacking energy: -75.233
Base-Backbone interact. energy: 0.078
local terms energy: -84.518842
where:
bonds (distance) C4'-P energy: -17.019
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -16.762
flat angles P-C4'-P energy: -12.058
tors. eta vs tors. theta energy: -22.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -271.607487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.607487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.607487 (E_RNA)
where:
Base-Base interactions energy: -179.879
where: short stacking energy: -72.457
Base-Backbone interact. energy: -0.004
local terms energy: -91.724138
where:
bonds (distance) C4'-P energy: -18.347
bonds (distance) P-C4' energy: -17.163
flat angles C4'-P-C4' energy: -19.476
flat angles P-C4'-P energy: -12.575
tors. eta vs tors. theta energy: -24.163
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: 5
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -260.779806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.779806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.779806 (E_RNA)
where:
Base-Base interactions energy: -176.916
where: short stacking energy: -65.748
Base-Backbone interact. energy: -1.225
local terms energy: -82.639170
where:
bonds (distance) C4'-P energy: -11.712
bonds (distance) P-C4' energy: -18.030
flat angles C4'-P-C4' energy: -17.032
flat angles P-C4'-P energy: -14.018
tors. eta vs tors. theta energy: -21.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -259.963620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.963620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.963620 (E_RNA)
where:
Base-Base interactions energy: -171.435
where: short stacking energy: -75.898
Base-Backbone interact. energy: -0.478
local terms energy: -88.050686
where:
bonds (distance) C4'-P energy: -18.298
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -16.899
flat angles P-C4'-P energy: -14.405
tors. eta vs tors. theta energy: -21.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -98.699342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.699342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.699342 (E_RNA)
where:
Base-Base interactions energy: -43.216
where: short stacking energy: -32.027
Base-Backbone interact. energy: -0.174
local terms energy: -55.309627
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -14.973
flat angles C4'-P-C4' energy: -15.531
flat angles P-C4'-P energy: -9.517
tors. eta vs tors. theta energy: -0.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -93.170884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.170884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.170884 (E_RNA)
where:
Base-Base interactions energy: -37.696
where: short stacking energy: -30.433
Base-Backbone interact. energy: -0.143
local terms energy: -55.331558
where:
bonds (distance) C4'-P energy: -15.089
bonds (distance) P-C4' energy: -19.518
flat angles C4'-P-C4' energy: -14.754
flat angles P-C4'-P energy: -4.441
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: 10, replica: 8
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -93.040128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.040128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.040128 (E_RNA)
where:
Base-Base interactions energy: -35.536
where: short stacking energy: -17.445
Base-Backbone interact. energy: -1.971
local terms energy: -55.533462
where:
bonds (distance) C4'-P energy: -16.953
bonds (distance) P-C4' energy: -13.042
flat angles C4'-P-C4' energy: -17.671
flat angles P-C4'-P energy: -10.013
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: 1, replica: 10
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -288.716095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.716095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.716095 (E_RNA)
where:
Base-Base interactions energy: -197.645
where: short stacking energy: -79.498
Base-Backbone interact. energy: -0.415
local terms energy: -90.655954
where:
bonds (distance) C4'-P energy: -17.193
bonds (distance) P-C4' energy: -19.551
flat angles C4'-P-C4' energy: -19.736
flat angles P-C4'-P energy: -10.710
tors. eta vs tors. theta energy: -23.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -287.401845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.401845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.401845 (E_RNA)
where:
Base-Base interactions energy: -190.290
where: short stacking energy: -78.794
Base-Backbone interact. energy: -1.104
local terms energy: -96.008302
where:
bonds (distance) C4'-P energy: -20.567
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -18.061
flat angles P-C4'-P energy: -15.773
tors. eta vs tors. theta energy: -23.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -276.945017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.945017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.945017 (E_RNA)
where:
Base-Base interactions energy: -192.110
where: short stacking energy: -74.737
Base-Backbone interact. energy: -0.111
local terms energy: -84.724337
where:
bonds (distance) C4'-P energy: -15.226
bonds (distance) P-C4' energy: -16.309
flat angles C4'-P-C4' energy: -14.452
flat angles P-C4'-P energy: -11.282
tors. eta vs tors. theta energy: -27.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -273.455709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.455709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.455709 (E_RNA)
where:
Base-Base interactions energy: -185.577
where: short stacking energy: -67.939
Base-Backbone interact. energy: -2.187
local terms energy: -85.692465
where:
bonds (distance) C4'-P energy: -11.834
bonds (distance) P-C4' energy: -20.349
flat angles C4'-P-C4' energy: -19.640
flat angles P-C4'-P energy: -14.036
tors. eta vs tors. theta energy: -19.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -267.512422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.512422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.512422 (E_RNA)
where:
Base-Base interactions energy: -178.954
where: short stacking energy: -70.520
Base-Backbone interact. energy: -0.533
local terms energy: -88.025511
where:
bonds (distance) C4'-P energy: -15.031
bonds (distance) P-C4' energy: -21.525
flat angles C4'-P-C4' energy: -19.281
flat angles P-C4'-P energy: -10.936
tors. eta vs tors. theta energy: -21.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -264.471192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.471192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.471192 (E_RNA)
where:
Base-Base interactions energy: -180.780
where: short stacking energy: -73.950
Base-Backbone interact. energy: -0.355
local terms energy: -83.336631
where:
bonds (distance) C4'-P energy: -14.540
bonds (distance) P-C4' energy: -20.055
flat angles C4'-P-C4' energy: -15.553
flat angles P-C4'-P energy: -7.734
tors. eta vs tors. theta energy: -25.455
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: 5
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -269.799473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.799473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.799473 (E_RNA)
where:
Base-Base interactions energy: -179.298
where: short stacking energy: -77.153
Base-Backbone interact. energy: -0.071
local terms energy: -90.430372
where:
bonds (distance) C4'-P energy: -16.836
bonds (distance) P-C4' energy: -20.102
flat angles C4'-P-C4' energy: -17.395
flat angles P-C4'-P energy: -11.004
tors. eta vs tors. theta energy: -25.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -90.229292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.229292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.229292 (E_RNA)
where:
Base-Base interactions energy: -27.734
where: short stacking energy: -27.734
Base-Backbone interact. energy: 0.310
local terms energy: -62.805145
where:
bonds (distance) C4'-P energy: -15.817
bonds (distance) P-C4' energy: -18.888
flat angles C4'-P-C4' energy: -13.765
flat angles P-C4'-P energy: -9.602
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: 9, replica: 4
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -90.280823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.280823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.280823 (E_RNA)
where:
Base-Base interactions energy: -35.543
where: short stacking energy: -27.112
Base-Backbone interact. energy: -0.387
local terms energy: -54.350450
where:
bonds (distance) C4'-P energy: -16.552
bonds (distance) P-C4' energy: -12.695
flat angles C4'-P-C4' energy: -13.923
flat angles P-C4'-P energy: -14.154
tors. eta vs tors. theta energy: 2.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -119.382264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.382264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.382264 (E_RNA)
where:
Base-Base interactions energy: -63.626
where: short stacking energy: -33.430
Base-Backbone interact. energy: 0.343
local terms energy: -56.099313
where:
bonds (distance) C4'-P energy: -19.138
bonds (distance) P-C4' energy: -16.225
flat angles C4'-P-C4' energy: -8.185
flat angles P-C4'-P energy: -6.785
tors. eta vs tors. theta energy: -5.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -295.167841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.167841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.167841 (E_RNA)
where:
Base-Base interactions energy: -200.859
where: short stacking energy: -81.293
Base-Backbone interact. energy: -0.050
local terms energy: -94.258853
where:
bonds (distance) C4'-P energy: -16.456
bonds (distance) P-C4' energy: -19.626
flat angles C4'-P-C4' energy: -20.539
flat angles P-C4'-P energy: -11.095
tors. eta vs tors. theta energy: -26.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -289.643721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.643721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.643721 (E_RNA)
where:
Base-Base interactions energy: -187.349
where: short stacking energy: -74.872
Base-Backbone interact. energy: -0.004
local terms energy: -102.291525
where:
bonds (distance) C4'-P energy: -20.786
bonds (distance) P-C4' energy: -20.760
flat angles C4'-P-C4' energy: -21.640
flat angles P-C4'-P energy: -11.918
tors. eta vs tors. theta energy: -27.188
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: 9
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -291.054714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.054714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.054714 (E_RNA)
where:
Base-Base interactions energy: -200.624
where: short stacking energy: -74.461
Base-Backbone interact. energy: -0.271
local terms energy: -90.160297
where:
bonds (distance) C4'-P energy: -16.618
bonds (distance) P-C4' energy: -15.245
flat angles C4'-P-C4' energy: -19.314
flat angles P-C4'-P energy: -13.731
tors. eta vs tors. theta energy: -25.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -271.058343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.058343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.058343 (E_RNA)
where:
Base-Base interactions energy: -179.956
where: short stacking energy: -71.278
Base-Backbone interact. energy: -0.022
local terms energy: -91.080440
where:
bonds (distance) C4'-P energy: -18.754
bonds (distance) P-C4' energy: -18.985
flat angles C4'-P-C4' energy: -19.192
flat angles P-C4'-P energy: -12.859
tors. eta vs tors. theta energy: -21.290
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: 3
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -275.790664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.790664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.790664 (E_RNA)
where:
Base-Base interactions energy: -187.130
where: short stacking energy: -87.616
Base-Backbone interact. energy: -0.004
local terms energy: -88.656751
where:
bonds (distance) C4'-P energy: -16.473
bonds (distance) P-C4' energy: -17.292
flat angles C4'-P-C4' energy: -19.480
flat angles P-C4'-P energy: -8.350
tors. eta vs tors. theta energy: -27.062
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: 6, replica: 7
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -271.592383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.592383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.592383 (E_RNA)
where:
Base-Base interactions energy: -186.525
where: short stacking energy: -80.356
Base-Backbone interact. energy: -0.169
local terms energy: -84.897721
where:
bonds (distance) C4'-P energy: -13.976
bonds (distance) P-C4' energy: -14.441
flat angles C4'-P-C4' energy: -19.313
flat angles P-C4'-P energy: -12.972
tors. eta vs tors. theta energy: -24.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -265.802202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.802202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.802202 (E_RNA)
where:
Base-Base interactions energy: -178.266
where: short stacking energy: -79.993
Base-Backbone interact. energy: -0.009
local terms energy: -87.527975
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -14.878
flat angles C4'-P-C4' energy: -19.969
flat angles P-C4'-P energy: -10.427
tors. eta vs tors. theta energy: -26.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 160
Temperature: 1.250000
Total energy: -106.972429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.972429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.972429 (E_RNA)
where:
Base-Base interactions energy: -43.457
where: short stacking energy: -32.482
Base-Backbone interact. energy: 1.380
local terms energy: -64.895457
where:
bonds (distance) C4'-P energy: -13.566
bonds (distance) P-C4' energy: -18.866
flat angles C4'-P-C4' energy: -16.452
flat angles P-C4'-P energy: -12.389
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: 9, replica: 8
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -101.883650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.883650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.883650 (E_RNA)
where:
Base-Base interactions energy: -46.222
where: short stacking energy: -33.172
Base-Backbone interact. energy: -1.249
local terms energy: -54.412439
where:
bonds (distance) C4'-P energy: -14.051
bonds (distance) P-C4' energy: -19.538
flat angles C4'-P-C4' energy: -9.972
flat angles P-C4'-P energy: -1.903
tors. eta vs tors. theta energy: -8.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -96.906584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.906584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.906584 (E_RNA)
where:
Base-Base interactions energy: -27.945
where: short stacking energy: -27.657
Base-Backbone interact. energy: -0.282
local terms energy: -68.679382
where:
bonds (distance) C4'-P energy: -15.943
bonds (distance) P-C4' energy: -17.705
flat angles C4'-P-C4' energy: -18.632
flat angles P-C4'-P energy: -11.119
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: 1, replica: 2
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -289.270100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.270100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.270100 (E_RNA)
where:
Base-Base interactions energy: -194.749
where: short stacking energy: -84.764
Base-Backbone interact. energy: -0.855
local terms energy: -93.665928
where:
bonds (distance) C4'-P energy: -16.211
bonds (distance) P-C4' energy: -18.738
flat angles C4'-P-C4' energy: -19.273
flat angles P-C4'-P energy: -16.157
tors. eta vs tors. theta energy: -23.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -290.557607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.557607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.557607 (E_RNA)
where:
Base-Base interactions energy: -206.430
where: short stacking energy: -76.765
Base-Backbone interact. energy: -0.051
local terms energy: -84.076165
where:
bonds (distance) C4'-P energy: -17.293
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -20.889
flat angles P-C4'-P energy: -7.684
tors. eta vs tors. theta energy: -23.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -294.734681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.734681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.734681 (E_RNA)
where:
Base-Base interactions energy: -200.288
where: short stacking energy: -83.537
Base-Backbone interact. energy: -1.416
local terms energy: -93.030640
where:
bonds (distance) C4'-P energy: -20.344
bonds (distance) P-C4' energy: -21.404
flat angles C4'-P-C4' energy: -14.521
flat angles P-C4'-P energy: -10.853
tors. eta vs tors. theta energy: -25.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -270.191824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.191824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.191824 (E_RNA)
where:
Base-Base interactions energy: -182.617
where: short stacking energy: -79.227
Base-Backbone interact. energy: -0.098
local terms energy: -87.476907
where:
bonds (distance) C4'-P energy: -13.694
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -20.492
flat angles P-C4'-P energy: -15.915
tors. eta vs tors. theta energy: -22.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -278.834117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.834117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.834117 (E_RNA)
where:
Base-Base interactions energy: -195.811
where: short stacking energy: -77.783
Base-Backbone interact. energy: -1.854
local terms energy: -81.168758
where:
bonds (distance) C4'-P energy: -13.376
bonds (distance) P-C4' energy: -13.267
flat angles C4'-P-C4' energy: -18.878
flat angles P-C4'-P energy: -13.813
tors. eta vs tors. theta energy: -21.835
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: 5
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -258.385686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.385686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.385686 (E_RNA)
where:
Base-Base interactions energy: -174.975
where: short stacking energy: -60.452
Base-Backbone interact. energy: -0.118
local terms energy: -83.291777
where:
bonds (distance) C4'-P energy: -16.228
bonds (distance) P-C4' energy: -18.727
flat angles C4'-P-C4' energy: -17.238
flat angles P-C4'-P energy: -9.015
tors. eta vs tors. theta energy: -22.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -258.690060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.690060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.690060 (E_RNA)
where:
Base-Base interactions energy: -172.813
where: short stacking energy: -74.640
Base-Backbone interact. energy: -0.424
local terms energy: -85.452955
where:
bonds (distance) C4'-P energy: -17.922
bonds (distance) P-C4' energy: -17.602
flat angles C4'-P-C4' energy: -14.335
flat angles P-C4'-P energy: -10.424
tors. eta vs tors. theta energy: -25.170
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: 8
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -123.459223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.459223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.459223 (E_RNA)
where:
Base-Base interactions energy: -62.913
where: short stacking energy: -31.869
Base-Backbone interact. energy: -0.040
local terms energy: -60.506600
where:
bonds (distance) C4'-P energy: -17.868
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -14.080
flat angles P-C4'-P energy: -8.927
tors. eta vs tors. theta energy: -4.090
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: 6
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -113.171501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.171501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.171501 (E_RNA)
where:
Base-Base interactions energy: -43.724
where: short stacking energy: -29.821
Base-Backbone interact. energy: -0.331
local terms energy: -69.116075
where:
bonds (distance) C4'-P energy: -18.729
bonds (distance) P-C4' energy: -15.838
flat angles C4'-P-C4' energy: -21.382
flat angles P-C4'-P energy: -6.152
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: 10, replica: 4
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -92.109482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.109482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.109482 (E_RNA)
where:
Base-Base interactions energy: -38.882
where: short stacking energy: -25.201
Base-Backbone interact. energy: -0.738
local terms energy: -52.490116
where:
bonds (distance) C4'-P energy: -16.978
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -14.522
flat angles P-C4'-P energy: -7.309
tors. eta vs tors. theta energy: 0.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -286.133245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.133245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.133245 (E_RNA)
where:
Base-Base interactions energy: -191.512
where: short stacking energy: -86.770
Base-Backbone interact. energy: -0.773
local terms energy: -93.848811
where:
bonds (distance) C4'-P energy: -19.557
bonds (distance) P-C4' energy: -19.495
flat angles C4'-P-C4' energy: -19.356
flat angles P-C4'-P energy: -9.088
tors. eta vs tors. theta energy: -26.353
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: 2
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -288.002372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.002372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.002372 (E_RNA)
where:
Base-Base interactions energy: -198.556
where: short stacking energy: -75.531
Base-Backbone interact. energy: -1.221
local terms energy: -88.225860
where:
bonds (distance) C4'-P energy: -10.963
bonds (distance) P-C4' energy: -19.473
flat angles C4'-P-C4' energy: -19.686
flat angles P-C4'-P energy: -11.958
tors. eta vs tors. theta energy: -26.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -279.625867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.625867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.625867 (E_RNA)
where:
Base-Base interactions energy: -187.858
where: short stacking energy: -80.541
Base-Backbone interact. energy: -0.093
local terms energy: -91.674714
where:
bonds (distance) C4'-P energy: -14.930
bonds (distance) P-C4' energy: -17.474
flat angles C4'-P-C4' energy: -21.245
flat angles P-C4'-P energy: -11.337
tors. eta vs tors. theta energy: -26.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -273.719686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.719686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.719686 (E_RNA)
where:
Base-Base interactions energy: -181.853
where: short stacking energy: -80.682
Base-Backbone interact. energy: -0.046
local terms energy: -91.820009
where:
bonds (distance) C4'-P energy: -17.301
bonds (distance) P-C4' energy: -18.305
flat angles C4'-P-C4' energy: -16.637
flat angles P-C4'-P energy: -13.604
tors. eta vs tors. theta energy: -25.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -271.101451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.101451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.101451 (E_RNA)
where:
Base-Base interactions energy: -193.281
where: short stacking energy: -80.068
Base-Backbone interact. energy: -0.013
local terms energy: -77.806988
where:
bonds (distance) C4'-P energy: -15.330
bonds (distance) P-C4' energy: -11.548
flat angles C4'-P-C4' energy: -17.066
flat angles P-C4'-P energy: -11.255
tors. eta vs tors. theta energy: -22.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -258.474132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.474132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.474132 (E_RNA)
where:
Base-Base interactions energy: -174.498
where: short stacking energy: -77.731
Base-Backbone interact. energy: 1.142
local terms energy: -85.118327
where:
bonds (distance) C4'-P energy: -19.693
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -19.636
flat angles P-C4'-P energy: -6.316
tors. eta vs tors. theta energy: -22.236
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: 7
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -258.983755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.983755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.983755 (E_RNA)
where:
Base-Base interactions energy: -173.673
where: short stacking energy: -80.153
Base-Backbone interact. energy: -0.007
local terms energy: -85.303576
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -14.910
flat angles C4'-P-C4' energy: -18.213
flat angles P-C4'-P energy: -9.157
tors. eta vs tors. theta energy: -26.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -136.225262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.225262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.225262 (E_RNA)
where:
Base-Base interactions energy: -71.800
where: short stacking energy: -41.834
Base-Backbone interact. energy: 1.343
local terms energy: -65.768102
where:
bonds (distance) C4'-P energy: -13.533
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -18.917
flat angles P-C4'-P energy: -10.665
tors. eta vs tors. theta energy: -5.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 162
Temperature: 1.300000
Total energy: -109.367736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.367736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.367736 (E_RNA)
where:
Base-Base interactions energy: -54.469
where: short stacking energy: -25.077
Base-Backbone interact. energy: 0.872
local terms energy: -55.771584
where:
bonds (distance) C4'-P energy: -17.241
bonds (distance) P-C4' energy: -15.709
flat angles C4'-P-C4' energy: -15.055
flat angles P-C4'-P energy: -7.540
tors. eta vs tors. theta energy: -0.226
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: 10, replica: 6
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -87.056441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.056441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.056441 (E_RNA)
where:
Base-Base interactions energy: -35.499
where: short stacking energy: -31.550
Base-Backbone interact. energy: 1.414
local terms energy: -52.971406
where:
bonds (distance) C4'-P energy: -15.956
bonds (distance) P-C4' energy: -16.185
flat angles C4'-P-C4' energy: -11.273
flat angles P-C4'-P energy: -8.862
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: 1, replica: 9
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -289.014143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.014143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.014143 (E_RNA)
where:
Base-Base interactions energy: -192.609
where: short stacking energy: -82.280
Base-Backbone interact. energy: -0.060
local terms energy: -96.345494
where:
bonds (distance) C4'-P energy: -14.908
bonds (distance) P-C4' energy: -17.849
flat angles C4'-P-C4' energy: -17.245
flat angles P-C4'-P energy: -17.793
tors. eta vs tors. theta energy: -28.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -283.750267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.750267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.750267 (E_RNA)
where:
Base-Base interactions energy: -192.078
where: short stacking energy: -76.717
Base-Backbone interact. energy: -0.067
local terms energy: -91.604880
where:
bonds (distance) C4'-P energy: -17.147
bonds (distance) P-C4' energy: -20.694
flat angles C4'-P-C4' energy: -18.924
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -23.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -284.754275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.754275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.754275 (E_RNA)
where:
Base-Base interactions energy: -195.717
where: short stacking energy: -76.517
Base-Backbone interact. energy: -0.481
local terms energy: -88.556249
where:
bonds (distance) C4'-P energy: -17.218
bonds (distance) P-C4' energy: -17.032
flat angles C4'-P-C4' energy: -19.312
flat angles P-C4'-P energy: -13.795
tors. eta vs tors. theta energy: -21.199
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: 163
Temperature: 1.050000
Total energy: -269.333723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.333723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.333723 (E_RNA)
where:
Base-Base interactions energy: -182.552
where: short stacking energy: -78.259
Base-Backbone interact. energy: 3.778
local terms energy: -90.559777
where:
bonds (distance) C4'-P energy: -20.070
bonds (distance) P-C4' energy: -17.402
flat angles C4'-P-C4' energy: -16.417
flat angles P-C4'-P energy: -11.538
tors. eta vs tors. theta energy: -25.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -277.761546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.761546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.761546 (E_RNA)
where:
Base-Base interactions energy: -195.145
where: short stacking energy: -80.788
Base-Backbone interact. energy: -0.576
local terms energy: -82.040867
where:
bonds (distance) C4'-P energy: -13.443
bonds (distance) P-C4' energy: -17.408
flat angles C4'-P-C4' energy: -19.403
flat angles P-C4'-P energy: -11.006
tors. eta vs tors. theta energy: -20.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -256.825090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.825090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.825090 (E_RNA)
where:
Base-Base interactions energy: -175.317
where: short stacking energy: -62.410
Base-Backbone interact. energy: -0.198
local terms energy: -81.309771
where:
bonds (distance) C4'-P energy: -18.487
bonds (distance) P-C4' energy: -18.685
flat angles C4'-P-C4' energy: -17.409
flat angles P-C4'-P energy: -12.605
tors. eta vs tors. theta energy: -14.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -254.991273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.991273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.991273 (E_RNA)
where:
Base-Base interactions energy: -180.613
where: short stacking energy: -73.930
Base-Backbone interact. energy: -0.150
local terms energy: -74.228237
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -16.057
flat angles C4'-P-C4' energy: -15.897
flat angles P-C4'-P energy: -4.483
tors. eta vs tors. theta energy: -21.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -152.979421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.979421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.979421 (E_RNA)
where:
Base-Base interactions energy: -92.201
where: short stacking energy: -42.350
Base-Backbone interact. energy: -0.551
local terms energy: -60.226699
where:
bonds (distance) C4'-P energy: -14.039
bonds (distance) P-C4' energy: -13.985
flat angles C4'-P-C4' energy: -17.311
flat angles P-C4'-P energy: -7.166
tors. eta vs tors. theta energy: -7.727
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: 9, replica: 8
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -83.867913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.867913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.867913 (E_RNA)
where:
Base-Base interactions energy: -34.527
where: short stacking energy: -31.761
Base-Backbone interact. energy: 0.099
local terms energy: -49.440189
where:
bonds (distance) C4'-P energy: -9.057
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -17.592
flat angles P-C4'-P energy: -6.698
tors. eta vs tors. theta energy: -0.473
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: 6
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -90.265256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.265256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.265256 (E_RNA)
where:
Base-Base interactions energy: -34.882
where: short stacking energy: -32.361
Base-Backbone interact. energy: 2.455
local terms energy: -57.837834
where:
bonds (distance) C4'-P energy: -20.319
bonds (distance) P-C4' energy: -21.131
flat angles C4'-P-C4' energy: -14.348
flat angles P-C4'-P energy: -2.367
tors. eta vs tors. theta energy: 0.327
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: 9
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -289.479966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.479966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.479966 (E_RNA)
where:
Base-Base interactions energy: -196.304
where: short stacking energy: -87.443
Base-Backbone interact. energy: -0.001
local terms energy: -93.174550
where:
bonds (distance) C4'-P energy: -16.908
bonds (distance) P-C4' energy: -22.850
flat angles C4'-P-C4' energy: -18.053
flat angles P-C4'-P energy: -10.147
tors. eta vs tors. theta energy: -25.216
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: 10
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -279.973440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.973440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.973440 (E_RNA)
where:
Base-Base interactions energy: -184.205
where: short stacking energy: -80.540
Base-Backbone interact. energy: -1.370
local terms energy: -94.398639
where:
bonds (distance) C4'-P energy: -19.196
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -21.263
flat angles P-C4'-P energy: -14.619
tors. eta vs tors. theta energy: -25.232
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: 164
Temperature: 1.000000
Total energy: -286.117964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.117964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.117964 (E_RNA)
where:
Base-Base interactions energy: -195.391
where: short stacking energy: -82.378
Base-Backbone interact. energy: -0.087
local terms energy: -90.640371
where:
bonds (distance) C4'-P energy: -14.985
bonds (distance) P-C4' energy: -18.750
flat angles C4'-P-C4' energy: -18.072
flat angles P-C4'-P energy: -15.635
tors. eta vs tors. theta energy: -23.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -272.099874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.099874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.099874 (E_RNA)
where:
Base-Base interactions energy: -184.768
where: short stacking energy: -79.739
Base-Backbone interact. energy: -0.017
local terms energy: -87.315187
where:
bonds (distance) C4'-P energy: -17.268
bonds (distance) P-C4' energy: -19.543
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -9.259
tors. eta vs tors. theta energy: -26.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -260.334431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.334431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.334431 (E_RNA)
where:
Base-Base interactions energy: -176.493
where: short stacking energy: -68.345
Base-Backbone interact. energy: -0.740
local terms energy: -83.100918
where:
bonds (distance) C4'-P energy: -15.790
bonds (distance) P-C4' energy: -19.352
flat angles C4'-P-C4' energy: -17.447
flat angles P-C4'-P energy: -8.926
tors. eta vs tors. theta energy: -21.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 164
Temperature: 1.150000
Total energy: -268.188025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.188025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.188025 (E_RNA)
where:
Base-Base interactions energy: -187.368
where: short stacking energy: -78.431
Base-Backbone interact. energy: 0.373
local terms energy: -81.193744
where:
bonds (distance) C4'-P energy: -16.767
bonds (distance) P-C4' energy: -12.424
flat angles C4'-P-C4' energy: -17.647
flat angles P-C4'-P energy: -12.022
tors. eta vs tors. theta energy: -22.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -234.517582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.517582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.517582 (E_RNA)
where:
Base-Base interactions energy: -165.187
where: short stacking energy: -74.206
Base-Backbone interact. energy: -0.012
local terms energy: -69.318805
where:
bonds (distance) C4'-P energy: -7.237
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -17.206
flat angles P-C4'-P energy: -5.159
tors. eta vs tors. theta energy: -24.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -143.282925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.282925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.282925 (E_RNA)
where:
Base-Base interactions energy: -72.715
where: short stacking energy: -37.774
Base-Backbone interact. energy: -1.445
local terms energy: -69.123586
where:
bonds (distance) C4'-P energy: -17.181
bonds (distance) P-C4' energy: -19.513
flat angles C4'-P-C4' energy: -16.740
flat angles P-C4'-P energy: -13.347
tors. eta vs tors. theta energy: -2.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -112.558141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.558141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.558141 (E_RNA)
where:
Base-Base interactions energy: -51.248
where: short stacking energy: -29.269
Base-Backbone interact. energy: -0.480
local terms energy: -60.830151
where:
bonds (distance) C4'-P energy: -18.012
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -12.543
flat angles P-C4'-P energy: -12.109
tors. eta vs tors. theta energy: -3.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -97.917810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.917810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.917810 (E_RNA)
where:
Base-Base interactions energy: -27.900
where: short stacking energy: -27.585
Base-Backbone interact. energy: -0.216
local terms energy: -69.801422
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -21.228
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -10.444
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: 1, replica: 9
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -293.608710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.608710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.608710 (E_RNA)
where:
Base-Base interactions energy: -198.602
where: short stacking energy: -81.598
Base-Backbone interact. energy: -0.106
local terms energy: -94.900832
where:
bonds (distance) C4'-P energy: -18.629
bonds (distance) P-C4' energy: -18.927
flat angles C4'-P-C4' energy: -20.452
flat angles P-C4'-P energy: -9.395
tors. eta vs tors. theta energy: -27.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -285.250632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.250632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.250632 (E_RNA)
where:
Base-Base interactions energy: -192.316
where: short stacking energy: -75.076
Base-Backbone interact. energy: -0.029
local terms energy: -92.905941
where:
bonds (distance) C4'-P energy: -18.155
bonds (distance) P-C4' energy: -17.099
flat angles C4'-P-C4' energy: -21.084
flat angles P-C4'-P energy: -11.812
tors. eta vs tors. theta energy: -24.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -283.472081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.472081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.472081 (E_RNA)
where:
Base-Base interactions energy: -193.519
where: short stacking energy: -75.342
Base-Backbone interact. energy: -0.293
local terms energy: -89.659648
where:
bonds (distance) C4'-P energy: -16.270
bonds (distance) P-C4' energy: -18.163
flat angles C4'-P-C4' energy: -19.463
flat angles P-C4'-P energy: -13.868
tors. eta vs tors. theta energy: -21.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -272.148620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.148620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.148620 (E_RNA)
where:
Base-Base interactions energy: -180.847
where: short stacking energy: -76.987
Base-Backbone interact. energy: 0.379
local terms energy: -91.680049
where:
bonds (distance) C4'-P energy: -15.098
bonds (distance) P-C4' energy: -18.768
flat angles C4'-P-C4' energy: -15.948
flat angles P-C4'-P energy: -14.296
tors. eta vs tors. theta energy: -27.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -264.599921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.599921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.599921 (E_RNA)
where:
Base-Base interactions energy: -178.784
where: short stacking energy: -64.288
Base-Backbone interact. energy: -0.163
local terms energy: -85.653030
where:
bonds (distance) C4'-P energy: -19.259
bonds (distance) P-C4' energy: -20.918
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -20.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -259.115543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.115543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.115543 (E_RNA)
where:
Base-Base interactions energy: -178.861
where: short stacking energy: -68.726
Base-Backbone interact. energy: -0.028
local terms energy: -80.227055
where:
bonds (distance) C4'-P energy: -15.360
bonds (distance) P-C4' energy: -12.297
flat angles C4'-P-C4' energy: -17.456
flat angles P-C4'-P energy: -12.589
tors. eta vs tors. theta energy: -22.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -261.968850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.968850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.968850 (E_RNA)
where:
Base-Base interactions energy: -175.905
where: short stacking energy: -67.789
Base-Backbone interact. energy: -0.502
local terms energy: -85.562142
where:
bonds (distance) C4'-P energy: -15.923
bonds (distance) P-C4' energy: -19.163
flat angles C4'-P-C4' energy: -17.133
flat angles P-C4'-P energy: -12.076
tors. eta vs tors. theta energy: -21.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -114.117768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.117768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.117768 (E_RNA)
where:
Base-Base interactions energy: -55.713
where: short stacking energy: -34.507
Base-Backbone interact. energy: -0.369
local terms energy: -58.036513
where:
bonds (distance) C4'-P energy: -17.963
bonds (distance) P-C4' energy: -12.053
flat angles C4'-P-C4' energy: -13.264
flat angles P-C4'-P energy: -10.403
tors. eta vs tors. theta energy: -4.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -99.013850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.013850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.013850 (E_RNA)
where:
Base-Base interactions energy: -30.204
where: short stacking energy: -25.087
Base-Backbone interact. energy: -0.039
local terms energy: -68.771794
where:
bonds (distance) C4'-P energy: -19.225
bonds (distance) P-C4' energy: -19.341
flat angles C4'-P-C4' energy: -12.650
flat angles P-C4'-P energy: -11.927
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: 10, replica: 8
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -91.794839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.794839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.794839 (E_RNA)
where:
Base-Base interactions energy: -40.591
where: short stacking energy: -30.492
Base-Backbone interact. energy: -0.309
local terms energy: -50.895187
where:
bonds (distance) C4'-P energy: -13.654
bonds (distance) P-C4' energy: -15.128
flat angles C4'-P-C4' energy: -15.929
flat angles P-C4'-P energy: -4.887
tors. eta vs tors. theta energy: -1.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -297.903465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.903465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.903465 (E_RNA)
where:
Base-Base interactions energy: -200.241
where: short stacking energy: -74.566
Base-Backbone interact. energy: -0.286
local terms energy: -97.376477
where:
bonds (distance) C4'-P energy: -19.341
bonds (distance) P-C4' energy: -20.090
flat angles C4'-P-C4' energy: -22.832
flat angles P-C4'-P energy: -15.698
tors. eta vs tors. theta energy: -19.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -282.595637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.595637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.595637 (E_RNA)
where:
Base-Base interactions energy: -187.213
where: short stacking energy: -76.657
Base-Backbone interact. energy: -0.460
local terms energy: -94.922874
where:
bonds (distance) C4'-P energy: -15.433
bonds (distance) P-C4' energy: -19.639
flat angles C4'-P-C4' energy: -20.109
flat angles P-C4'-P energy: -16.369
tors. eta vs tors. theta energy: -23.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -280.576983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.576983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.576983 (E_RNA)
where:
Base-Base interactions energy: -190.311
where: short stacking energy: -80.915
Base-Backbone interact. energy: -0.281
local terms energy: -89.984237
where:
bonds (distance) C4'-P energy: -17.637
bonds (distance) P-C4' energy: -18.495
flat angles C4'-P-C4' energy: -16.636
flat angles P-C4'-P energy: -13.118
tors. eta vs tors. theta energy: -24.098
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: 10
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -282.219304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.219304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.219304 (E_RNA)
where:
Base-Base interactions energy: -191.851
where: short stacking energy: -79.646
Base-Backbone interact. energy: -0.017
local terms energy: -90.351006
where:
bonds (distance) C4'-P energy: -16.567
bonds (distance) P-C4' energy: -14.773
flat angles C4'-P-C4' energy: -20.287
flat angles P-C4'-P energy: -15.290
tors. eta vs tors. theta energy: -23.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -272.224033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.224033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.224033 (E_RNA)
where:
Base-Base interactions energy: -187.012
where: short stacking energy: -74.111
Base-Backbone interact. energy: -0.594
local terms energy: -84.618306
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -14.732
flat angles C4'-P-C4' energy: -17.269
flat angles P-C4'-P energy: -13.531
tors. eta vs tors. theta energy: -23.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -258.001274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.001274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.001274 (E_RNA)
where:
Base-Base interactions energy: -171.359
where: short stacking energy: -78.810
Base-Backbone interact. energy: 0.344
local terms energy: -86.986235
where:
bonds (distance) C4'-P energy: -17.511
bonds (distance) P-C4' energy: -18.118
flat angles C4'-P-C4' energy: -19.156
flat angles P-C4'-P energy: -9.255
tors. eta vs tors. theta energy: -22.945
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: 7, replica: 7
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -269.618100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.618100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.618100 (E_RNA)
where:
Base-Base interactions energy: -178.344
where: short stacking energy: -77.231
Base-Backbone interact. energy: -0.046
local terms energy: -91.228200
where:
bonds (distance) C4'-P energy: -13.251
bonds (distance) P-C4' energy: -18.611
flat angles C4'-P-C4' energy: -20.635
flat angles P-C4'-P energy: -10.029
tors. eta vs tors. theta energy: -28.702
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: 4
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -122.591739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.591739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.591739 (E_RNA)
where:
Base-Base interactions energy: -65.030
where: short stacking energy: -37.932
Base-Backbone interact. energy: -0.022
local terms energy: -57.540395
where:
bonds (distance) C4'-P energy: -11.836
bonds (distance) P-C4' energy: -19.036
flat angles C4'-P-C4' energy: -11.860
flat angles P-C4'-P energy: -12.620
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: 9, replica: 8
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -95.673616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.673616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.673616 (E_RNA)
where:
Base-Base interactions energy: -37.878
where: short stacking energy: -34.338
Base-Backbone interact. energy: -0.761
local terms energy: -57.035033
where:
bonds (distance) C4'-P energy: -16.584
bonds (distance) P-C4' energy: -14.401
flat angles C4'-P-C4' energy: -15.651
flat angles P-C4'-P energy: -7.654
tors. eta vs tors. theta energy: -2.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -90.938555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.938555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.938555 (E_RNA)
where:
Base-Base interactions energy: -33.384
where: short stacking energy: -33.384
Base-Backbone interact. energy: -0.305
local terms energy: -57.250223
where:
bonds (distance) C4'-P energy: -11.234
bonds (distance) P-C4' energy: -20.405
flat angles C4'-P-C4' energy: -14.607
flat angles P-C4'-P energy: -10.208
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: 1, replica: 1
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -298.033888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.033888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.033888 (E_RNA)
where:
Base-Base interactions energy: -202.915
where: short stacking energy: -79.203
Base-Backbone interact. energy: -0.644
local terms energy: -94.474829
where:
bonds (distance) C4'-P energy: -21.640
bonds (distance) P-C4' energy: -18.679
flat angles C4'-P-C4' energy: -20.323
flat angles P-C4'-P energy: -13.113
tors. eta vs tors. theta energy: -20.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -281.600336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.600336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.600336 (E_RNA)
where:
Base-Base interactions energy: -203.180
where: short stacking energy: -68.406
Base-Backbone interact. energy: -0.036
local terms energy: -78.384037
where:
bonds (distance) C4'-P energy: -18.639
bonds (distance) P-C4' energy: -16.127
flat angles C4'-P-C4' energy: -16.655
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: -16.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -285.834930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.834930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.834930 (E_RNA)
where:
Base-Base interactions energy: -196.859
where: short stacking energy: -74.769
Base-Backbone interact. energy: -0.116
local terms energy: -88.860334
where:
bonds (distance) C4'-P energy: -17.166
bonds (distance) P-C4' energy: -17.031
flat angles C4'-P-C4' energy: -18.893
flat angles P-C4'-P energy: -15.399
tors. eta vs tors. theta energy: -20.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -278.999630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.999630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.999630 (E_RNA)
where:
Base-Base interactions energy: -188.987
where: short stacking energy: -73.474
Base-Backbone interact. energy: -0.740
local terms energy: -89.272035
where:
bonds (distance) C4'-P energy: -15.201
bonds (distance) P-C4' energy: -19.746
flat angles C4'-P-C4' energy: -18.311
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -24.497
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: 10
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -272.965414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.965414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.965414 (E_RNA)
where:
Base-Base interactions energy: -188.241
where: short stacking energy: -79.416
Base-Backbone interact. energy: -0.017
local terms energy: -84.706580
where:
bonds (distance) C4'-P energy: -13.417
bonds (distance) P-C4' energy: -17.826
flat angles C4'-P-C4' energy: -19.205
flat angles P-C4'-P energy: -10.898
tors. eta vs tors. theta energy: -23.361
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: 3
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -245.265036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.265036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.265036 (E_RNA)
where:
Base-Base interactions energy: -177.672
where: short stacking energy: -59.674
Base-Backbone interact. energy: -0.598
local terms energy: -66.994470
where:
bonds (distance) C4'-P energy: -15.694
bonds (distance) P-C4' energy: -10.832
flat angles C4'-P-C4' energy: -18.111
flat angles P-C4'-P energy: -16.488
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: 7, replica: 7
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -256.813114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.813114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.813114 (E_RNA)
where:
Base-Base interactions energy: -173.067
where: short stacking energy: -70.777
Base-Backbone interact. energy: -0.505
local terms energy: -83.240838
where:
bonds (distance) C4'-P energy: -15.971
bonds (distance) P-C4' energy: -16.576
flat angles C4'-P-C4' energy: -16.861
flat angles P-C4'-P energy: -10.695
tors. eta vs tors. theta energy: -23.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -101.735162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.735162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.735162 (E_RNA)
where:
Base-Base interactions energy: -50.195
where: short stacking energy: -24.239
Base-Backbone interact. energy: 0.704
local terms energy: -52.244041
where:
bonds (distance) C4'-P energy: -15.843
bonds (distance) P-C4' energy: -19.470
flat angles C4'-P-C4' energy: -8.095
flat angles P-C4'-P energy: -9.487
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: 9, replica: 8
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -101.973237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.973237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.973237 (E_RNA)
where:
Base-Base interactions energy: -39.986
where: short stacking energy: -29.869
Base-Backbone interact. energy: -1.386
local terms energy: -60.600968
where:
bonds (distance) C4'-P energy: -13.904
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -18.187
flat angles P-C4'-P energy: -11.634
tors. eta vs tors. theta energy: -0.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -99.277288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.277288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.277288 (E_RNA)
where:
Base-Base interactions energy: -39.953
where: short stacking energy: -30.548
Base-Backbone interact. energy: -0.119
local terms energy: -59.204751
where:
bonds (distance) C4'-P energy: -10.067
bonds (distance) P-C4' energy: -15.702
flat angles C4'-P-C4' energy: -17.769
flat angles P-C4'-P energy: -9.752
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: 1, replica: 9
=====================================
Write number: 168
Temperature: 0.900000
Total energy: -290.822337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.822337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.822337 (E_RNA)
where:
Base-Base interactions energy: -191.072
where: short stacking energy: -78.120
Base-Backbone interact. energy: -0.103
local terms energy: -99.647495
where:
bonds (distance) C4'-P energy: -20.380
bonds (distance) P-C4' energy: -18.181
flat angles C4'-P-C4' energy: -19.216
flat angles P-C4'-P energy: -16.243
tors. eta vs tors. theta energy: -25.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -291.580946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.580946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.580946 (E_RNA)
where:
Base-Base interactions energy: -199.433
where: short stacking energy: -74.039
Base-Backbone interact. energy: -0.309
local terms energy: -91.838997
where:
bonds (distance) C4'-P energy: -14.477
bonds (distance) P-C4' energy: -19.821
flat angles C4'-P-C4' energy: -19.389
flat angles P-C4'-P energy: -12.210
tors. eta vs tors. theta energy: -25.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -280.774350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.774350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.774350 (E_RNA)
where:
Base-Base interactions energy: -186.712
where: short stacking energy: -81.889
Base-Backbone interact. energy: -0.082
local terms energy: -93.980627
where:
bonds (distance) C4'-P energy: -16.378
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -19.777
flat angles P-C4'-P energy: -11.967
tors. eta vs tors. theta energy: -29.406
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: 5
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -278.867808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.867808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.867808 (E_RNA)
where:
Base-Base interactions energy: -189.159
where: short stacking energy: -68.730
Base-Backbone interact. energy: -0.098
local terms energy: -89.611169
where:
bonds (distance) C4'-P energy: -18.961
bonds (distance) P-C4' energy: -16.626
flat angles C4'-P-C4' energy: -18.846
flat angles P-C4'-P energy: -11.986
tors. eta vs tors. theta energy: -23.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -256.300712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.300712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.300712 (E_RNA)
where:
Base-Base interactions energy: -170.466
where: short stacking energy: -75.350
Base-Backbone interact. energy: -0.285
local terms energy: -85.549758
where:
bonds (distance) C4'-P energy: -15.210
bonds (distance) P-C4' energy: -20.584
flat angles C4'-P-C4' energy: -19.948
flat angles P-C4'-P energy: -5.891
tors. eta vs tors. theta energy: -23.917
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: 6, replica: 10
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -261.280669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.280669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.280669 (E_RNA)
where:
Base-Base interactions energy: -177.573
where: short stacking energy: -84.151
Base-Backbone interact. energy: 2.901
local terms energy: -86.608763
where:
bonds (distance) C4'-P energy: -15.893
bonds (distance) P-C4' energy: -16.541
flat angles C4'-P-C4' energy: -14.934
flat angles P-C4'-P energy: -13.343
tors. eta vs tors. theta energy: -25.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -232.963736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.963736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.963736 (E_RNA)
where:
Base-Base interactions energy: -152.376
where: short stacking energy: -61.985
Base-Backbone interact. energy: 0.577
local terms energy: -81.165526
where:
bonds (distance) C4'-P energy: -19.029
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -16.874
flat angles P-C4'-P energy: -11.315
tors. eta vs tors. theta energy: -15.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -100.233426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.233426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.233426 (E_RNA)
where:
Base-Base interactions energy: -44.132
where: short stacking energy: -29.039
Base-Backbone interact. energy: 0.421
local terms energy: -56.522047
where:
bonds (distance) C4'-P energy: -14.130
bonds (distance) P-C4' energy: -14.108
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -7.523
tors. eta vs tors. theta energy: -5.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -90.470495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.470495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.470495 (E_RNA)
where:
Base-Base interactions energy: -33.131
where: short stacking energy: -33.003
Base-Backbone interact. energy: -0.104
local terms energy: -57.235105
where:
bonds (distance) C4'-P energy: -16.999
bonds (distance) P-C4' energy: -16.118
flat angles C4'-P-C4' energy: -8.722
flat angles P-C4'-P energy: -11.880
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: 10, replica: 6
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -84.508974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.508974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.508974 (E_RNA)
where:
Base-Base interactions energy: -28.681
where: short stacking energy: -26.017
Base-Backbone interact. energy: -0.499
local terms energy: -55.328793
where:
bonds (distance) C4'-P energy: -15.611
bonds (distance) P-C4' energy: -11.345
flat angles C4'-P-C4' energy: -16.873
flat angles P-C4'-P energy: -6.621
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: 1, replica: 9
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -290.511301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.511301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.511301 (E_RNA)
where:
Base-Base interactions energy: -195.683
where: short stacking energy: -76.412
Base-Backbone interact. energy: -0.358
local terms energy: -94.469458
where:
bonds (distance) C4'-P energy: -19.204
bonds (distance) P-C4' energy: -19.019
flat angles C4'-P-C4' energy: -18.476
flat angles P-C4'-P energy: -12.688
tors. eta vs tors. theta energy: -25.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -285.548904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.548904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.548904 (E_RNA)
where:
Base-Base interactions energy: -186.608
where: short stacking energy: -80.827
Base-Backbone interact. energy: -0.001
local terms energy: -98.939309
where:
bonds (distance) C4'-P energy: -19.134
bonds (distance) P-C4' energy: -21.369
flat angles C4'-P-C4' energy: -19.117
flat angles P-C4'-P energy: -13.850
tors. eta vs tors. theta energy: -25.470
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: 1
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -278.639066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.639066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.639066 (E_RNA)
where:
Base-Base interactions energy: -184.572
where: short stacking energy: -77.819
Base-Backbone interact. energy: -0.353
local terms energy: -93.713256
where:
bonds (distance) C4'-P energy: -18.495
bonds (distance) P-C4' energy: -17.052
flat angles C4'-P-C4' energy: -19.321
flat angles P-C4'-P energy: -14.587
tors. eta vs tors. theta energy: -24.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -276.378980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.378980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.378980 (E_RNA)
where:
Base-Base interactions energy: -184.298
where: short stacking energy: -80.528
Base-Backbone interact. energy: -0.033
local terms energy: -92.048579
where:
bonds (distance) C4'-P energy: -15.769
bonds (distance) P-C4' energy: -18.324
flat angles C4'-P-C4' energy: -18.937
flat angles P-C4'-P energy: -10.801
tors. eta vs tors. theta energy: -28.217
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: 3
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -261.089973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.089973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.089973 (E_RNA)
where:
Base-Base interactions energy: -177.695
where: short stacking energy: -68.557
Base-Backbone interact. energy: -0.253
local terms energy: -83.142200
where:
bonds (distance) C4'-P energy: -12.818
bonds (distance) P-C4' energy: -17.220
flat angles C4'-P-C4' energy: -20.630
flat angles P-C4'-P energy: -15.773
tors. eta vs tors. theta energy: -16.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -257.673640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.673640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.673640 (E_RNA)
where:
Base-Base interactions energy: -174.324
where: short stacking energy: -76.466
Base-Backbone interact. energy: -0.131
local terms energy: -83.218145
where:
bonds (distance) C4'-P energy: -15.560
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -16.704
flat angles P-C4'-P energy: -11.644
tors. eta vs tors. theta energy: -22.774
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: 7, replica: 10
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -253.157011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.157011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.157011 (E_RNA)
where:
Base-Base interactions energy: -167.101
where: short stacking energy: -69.086
Base-Backbone interact. energy: -0.479
local terms energy: -85.577435
where:
bonds (distance) C4'-P energy: -16.140
bonds (distance) P-C4' energy: -18.449
flat angles C4'-P-C4' energy: -20.662
flat angles P-C4'-P energy: -9.793
tors. eta vs tors. theta energy: -20.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -130.274576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.274576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.274576 (E_RNA)
where:
Base-Base interactions energy: -60.074
where: short stacking energy: -33.245
Base-Backbone interact. energy: 1.453
local terms energy: -71.654099
where:
bonds (distance) C4'-P energy: -16.006
bonds (distance) P-C4' energy: -20.182
flat angles C4'-P-C4' energy: -17.677
flat angles P-C4'-P energy: -12.047
tors. eta vs tors. theta energy: -5.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -111.392640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.392640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.392640 (E_RNA)
where:
Base-Base interactions energy: -52.911
where: short stacking energy: -43.507
Base-Backbone interact. energy: -0.129
local terms energy: -58.352323
where:
bonds (distance) C4'-P energy: -10.217
bonds (distance) P-C4' energy: -20.029
flat angles C4'-P-C4' energy: -14.358
flat angles P-C4'-P energy: -9.926
tors. eta vs tors. theta energy: -3.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -101.022159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.022159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.022159 (E_RNA)
where:
Base-Base interactions energy: -42.157
where: short stacking energy: -37.569
Base-Backbone interact. energy: -0.093
local terms energy: -58.771825
where:
bonds (distance) C4'-P energy: -13.860
bonds (distance) P-C4' energy: -16.753
flat angles C4'-P-C4' energy: -20.164
flat angles P-C4'-P energy: -2.202
tors. eta vs tors. theta energy: -5.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 170
Temperature: 0.900000
Total energy: -288.904132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.904132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.904132 (E_RNA)
where:
Base-Base interactions energy: -196.846
where: short stacking energy: -85.518
Base-Backbone interact. energy: -0.035
local terms energy: -92.023761
where:
bonds (distance) C4'-P energy: -18.302
bonds (distance) P-C4' energy: -18.845
flat angles C4'-P-C4' energy: -19.157
flat angles P-C4'-P energy: -13.081
tors. eta vs tors. theta energy: -22.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -293.074402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.074402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.074402 (E_RNA)
where:
Base-Base interactions energy: -189.682
where: short stacking energy: -74.854
Base-Backbone interact. energy: -1.082
local terms energy: -102.311215
where:
bonds (distance) C4'-P energy: -18.784
bonds (distance) P-C4' energy: -20.353
flat angles C4'-P-C4' energy: -22.197
flat angles P-C4'-P energy: -14.312
tors. eta vs tors. theta energy: -26.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -287.477173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.477173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.477173 (E_RNA)
where:
Base-Base interactions energy: -193.235
where: short stacking energy: -80.831
Base-Backbone interact. energy: -0.782
local terms energy: -93.460682
where:
bonds (distance) C4'-P energy: -16.241
bonds (distance) P-C4' energy: -18.565
flat angles C4'-P-C4' energy: -18.754
flat angles P-C4'-P energy: -13.250
tors. eta vs tors. theta energy: -26.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -270.119248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.119248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.119248 (E_RNA)
where:
Base-Base interactions energy: -184.634
where: short stacking energy: -73.623
Base-Backbone interact. energy: -0.014
local terms energy: -85.471128
where:
bonds (distance) C4'-P energy: -14.407
bonds (distance) P-C4' energy: -18.313
flat angles C4'-P-C4' energy: -17.782
flat angles P-C4'-P energy: -10.294
tors. eta vs tors. theta energy: -24.676
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: 7
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -271.462101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.462101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.462101 (E_RNA)
where:
Base-Base interactions energy: -192.496
where: short stacking energy: -76.758
Base-Backbone interact. energy: -0.193
local terms energy: -78.773891
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -18.069
flat angles C4'-P-C4' energy: -15.196
flat angles P-C4'-P energy: -10.932
tors. eta vs tors. theta energy: -19.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -257.377755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.377755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.377755 (E_RNA)
where:
Base-Base interactions energy: -174.786
where: short stacking energy: -72.387
Base-Backbone interact. energy: -1.221
local terms energy: -81.370691
where:
bonds (distance) C4'-P energy: -15.851
bonds (distance) P-C4' energy: -14.336
flat angles C4'-P-C4' energy: -19.016
flat angles P-C4'-P energy: -13.507
tors. eta vs tors. theta energy: -18.660
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: 7, replica: 10
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -267.591487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.591487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.591487 (E_RNA)
where:
Base-Base interactions energy: -187.483
where: short stacking energy: -82.789
Base-Backbone interact. energy: -0.758
local terms energy: -79.350930
where:
bonds (distance) C4'-P energy: -16.688
bonds (distance) P-C4' energy: -14.662
flat angles C4'-P-C4' energy: -15.109
flat angles P-C4'-P energy: -6.796
tors. eta vs tors. theta energy: -26.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -98.132003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.132003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.132003 (E_RNA)
where:
Base-Base interactions energy: -45.891
where: short stacking energy: -29.521
Base-Backbone interact. energy: 1.707
local terms energy: -53.947721
where:
bonds (distance) C4'-P energy: -13.964
bonds (distance) P-C4' energy: -16.791
flat angles C4'-P-C4' energy: -13.543
flat angles P-C4'-P energy: -8.250
tors. eta vs tors. theta energy: -1.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -96.472030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.472030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.472030 (E_RNA)
where:
Base-Base interactions energy: -32.884
where: short stacking energy: -22.818
Base-Backbone interact. energy: -0.617
local terms energy: -62.971021
where:
bonds (distance) C4'-P energy: -18.807
bonds (distance) P-C4' energy: -16.731
flat angles C4'-P-C4' energy: -13.674
flat angles P-C4'-P energy: -12.489
tors. eta vs tors. theta energy: -1.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -99.794825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.794825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.794825 (E_RNA)
where:
Base-Base interactions energy: -35.213
where: short stacking energy: -19.509
Base-Backbone interact. energy: -0.397
local terms energy: -64.185572
where:
bonds (distance) C4'-P energy: -16.266
bonds (distance) P-C4' energy: -18.056
flat angles C4'-P-C4' energy: -18.456
flat angles P-C4'-P energy: -10.507
tors. eta vs tors. theta energy: -0.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -291.644340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.644340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.644340 (E_RNA)
where:
Base-Base interactions energy: -205.593
where: short stacking energy: -80.143
Base-Backbone interact. energy: -0.553
local terms energy: -85.498969
where:
bonds (distance) C4'-P energy: -18.501
bonds (distance) P-C4' energy: -13.939
flat angles C4'-P-C4' energy: -19.545
flat angles P-C4'-P energy: -11.753
tors. eta vs tors. theta energy: -21.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -284.279594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.279594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.279594 (E_RNA)
where:
Base-Base interactions energy: -187.304
where: short stacking energy: -77.443
Base-Backbone interact. energy: -0.033
local terms energy: -96.942486
where:
bonds (distance) C4'-P energy: -18.498
bonds (distance) P-C4' energy: -18.963
flat angles C4'-P-C4' energy: -17.526
flat angles P-C4'-P energy: -15.264
tors. eta vs tors. theta energy: -26.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -282.582476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.582476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.582476 (E_RNA)
where:
Base-Base interactions energy: -188.334
where: short stacking energy: -79.192
Base-Backbone interact. energy: -0.495
local terms energy: -93.753478
where:
bonds (distance) C4'-P energy: -19.835
bonds (distance) P-C4' energy: -17.667
flat angles C4'-P-C4' energy: -20.367
flat angles P-C4'-P energy: -11.316
tors. eta vs tors. theta energy: -24.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -279.756867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.756867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.756867 (E_RNA)
where:
Base-Base interactions energy: -191.348
where: short stacking energy: -78.713
Base-Backbone interact. energy: -0.076
local terms energy: -88.332583
where:
bonds (distance) C4'-P energy: -18.017
bonds (distance) P-C4' energy: -19.386
flat angles C4'-P-C4' energy: -16.354
flat angles P-C4'-P energy: -10.459
tors. eta vs tors. theta energy: -24.117
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: 1
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -265.748758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.748758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.748758 (E_RNA)
where:
Base-Base interactions energy: -177.258
where: short stacking energy: -69.214
Base-Backbone interact. energy: -0.124
local terms energy: -88.366264
where:
bonds (distance) C4'-P energy: -14.539
bonds (distance) P-C4' energy: -19.970
flat angles C4'-P-C4' energy: -19.881
flat angles P-C4'-P energy: -14.433
tors. eta vs tors. theta energy: -19.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -251.315685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.315685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.315685 (E_RNA)
where:
Base-Base interactions energy: -170.089
where: short stacking energy: -76.951
Base-Backbone interact. energy: 0.636
local terms energy: -81.863468
where:
bonds (distance) C4'-P energy: -6.781
bonds (distance) P-C4' energy: -18.828
flat angles C4'-P-C4' energy: -18.198
flat angles P-C4'-P energy: -14.930
tors. eta vs tors. theta energy: -23.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -239.637524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.637524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.637524 (E_RNA)
where:
Base-Base interactions energy: -156.582
where: short stacking energy: -73.073
Base-Backbone interact. energy: -0.014
local terms energy: -83.041690
where:
bonds (distance) C4'-P energy: -18.071
bonds (distance) P-C4' energy: -18.106
flat angles C4'-P-C4' energy: -18.838
flat angles P-C4'-P energy: -7.916
tors. eta vs tors. theta energy: -20.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -109.671062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.671062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.671062 (E_RNA)
where:
Base-Base interactions energy: -40.438
where: short stacking energy: -39.676
Base-Backbone interact. energy: -0.195
local terms energy: -69.038539
where:
bonds (distance) C4'-P energy: -18.754
bonds (distance) P-C4' energy: -17.957
flat angles C4'-P-C4' energy: -17.181
flat angles P-C4'-P energy: -8.437
tors. eta vs tors. theta energy: -6.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -89.821495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.821495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.821495 (E_RNA)
where:
Base-Base interactions energy: -28.189
where: short stacking energy: -28.189
Base-Backbone interact. energy: -0.093
local terms energy: -61.539595
where:
bonds (distance) C4'-P energy: -13.202
bonds (distance) P-C4' energy: -17.135
flat angles C4'-P-C4' energy: -17.948
flat angles P-C4'-P energy: -7.746
tors. eta vs tors. theta energy: -5.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -90.133823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.133823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.133823 (E_RNA)
where:
Base-Base interactions energy: -29.558
where: short stacking energy: -21.500
Base-Backbone interact. energy: -0.056
local terms energy: -60.520026
where:
bonds (distance) C4'-P energy: -13.475
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -19.534
flat angles P-C4'-P energy: -9.659
tors. eta vs tors. theta energy: 0.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -294.895304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.895304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.895304 (E_RNA)
where:
Base-Base interactions energy: -201.372
where: short stacking energy: -82.779
Base-Backbone interact. energy: -1.775
local terms energy: -91.748113
where:
bonds (distance) C4'-P energy: -16.381
bonds (distance) P-C4' energy: -19.399
flat angles C4'-P-C4' energy: -18.914
flat angles P-C4'-P energy: -13.678
tors. eta vs tors. theta energy: -23.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -285.987817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.987817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.987817 (E_RNA)
where:
Base-Base interactions energy: -199.568
where: short stacking energy: -83.358
Base-Backbone interact. energy: -0.117
local terms energy: -86.303137
where:
bonds (distance) C4'-P energy: -17.093
bonds (distance) P-C4' energy: -13.457
flat angles C4'-P-C4' energy: -20.151
flat angles P-C4'-P energy: -14.185
tors. eta vs tors. theta energy: -21.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -286.871136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.871136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.871136 (E_RNA)
where:
Base-Base interactions energy: -191.133
where: short stacking energy: -75.368
Base-Backbone interact. energy: -0.660
local terms energy: -95.077809
where:
bonds (distance) C4'-P energy: -18.438
bonds (distance) P-C4' energy: -17.458
flat angles C4'-P-C4' energy: -20.121
flat angles P-C4'-P energy: -15.227
tors. eta vs tors. theta energy: -23.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -284.027130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.027130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.027130 (E_RNA)
where:
Base-Base interactions energy: -196.037
where: short stacking energy: -83.510
Base-Backbone interact. energy: -0.298
local terms energy: -87.692740
where:
bonds (distance) C4'-P energy: -19.388
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -16.868
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: -22.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -264.545306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.545306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.545306 (E_RNA)
where:
Base-Base interactions energy: -184.074
where: short stacking energy: -72.070
Base-Backbone interact. energy: -0.127
local terms energy: -80.343841
where:
bonds (distance) C4'-P energy: -17.851
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -16.360
flat angles P-C4'-P energy: -15.034
tors. eta vs tors. theta energy: -18.196
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: 1
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -267.196811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.196811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.196811 (E_RNA)
where:
Base-Base interactions energy: -188.989
where: short stacking energy: -70.144
Base-Backbone interact. energy: -0.244
local terms energy: -77.963922
where:
bonds (distance) C4'-P energy: -13.214
bonds (distance) P-C4' energy: -18.566
flat angles C4'-P-C4' energy: -14.999
flat angles P-C4'-P energy: -10.088
tors. eta vs tors. theta energy: -21.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -231.677745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.677745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.677745 (E_RNA)
where:
Base-Base interactions energy: -155.140
where: short stacking energy: -76.008
Base-Backbone interact. energy: -0.003
local terms energy: -76.534872
where:
bonds (distance) C4'-P energy: -11.989
bonds (distance) P-C4' energy: -14.741
flat angles C4'-P-C4' energy: -15.802
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -23.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -129.528743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.528743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.528743 (E_RNA)
where:
Base-Base interactions energy: -61.243
where: short stacking energy: -46.937
Base-Backbone interact. energy: 1.025
local terms energy: -69.310730
where:
bonds (distance) C4'-P energy: -10.532
bonds (distance) P-C4' energy: -19.872
flat angles C4'-P-C4' energy: -11.759
flat angles P-C4'-P energy: -12.799
tors. eta vs tors. theta energy: -14.349
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: 4
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -90.981695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.981695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.981695 (E_RNA)
where:
Base-Base interactions energy: -37.956
where: short stacking energy: -27.870
Base-Backbone interact. energy: -0.148
local terms energy: -52.878320
where:
bonds (distance) C4'-P energy: -16.125
bonds (distance) P-C4' energy: -15.047
flat angles C4'-P-C4' energy: -12.523
flat angles P-C4'-P energy: -5.282
tors. eta vs tors. theta energy: -3.902
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: 8
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -92.346640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.346640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.346640 (E_RNA)
where:
Base-Base interactions energy: -41.812
where: short stacking energy: -18.353
Base-Backbone interact. energy: -0.555
local terms energy: -49.979292
where:
bonds (distance) C4'-P energy: -12.034
bonds (distance) P-C4' energy: -19.317
flat angles C4'-P-C4' energy: -11.657
flat angles P-C4'-P energy: -8.398
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: 1, replica: 2
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -292.254717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.254717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.254717 (E_RNA)
where:
Base-Base interactions energy: -193.833
where: short stacking energy: -80.254
Base-Backbone interact. energy: -0.820
local terms energy: -97.601454
where:
bonds (distance) C4'-P energy: -21.473
bonds (distance) P-C4' energy: -18.776
flat angles C4'-P-C4' energy: -17.911
flat angles P-C4'-P energy: -14.635
tors. eta vs tors. theta energy: -24.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -283.456141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.456141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.456141 (E_RNA)
where:
Base-Base interactions energy: -193.055
where: short stacking energy: -71.944
Base-Backbone interact. energy: -0.169
local terms energy: -90.231648
where:
bonds (distance) C4'-P energy: -16.216
bonds (distance) P-C4' energy: -21.727
flat angles C4'-P-C4' energy: -15.548
flat angles P-C4'-P energy: -13.276
tors. eta vs tors. theta energy: -23.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -282.785751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.785751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.785751 (E_RNA)
where:
Base-Base interactions energy: -194.128
where: short stacking energy: -81.573
Base-Backbone interact. energy: -0.396
local terms energy: -88.261987
where:
bonds (distance) C4'-P energy: -17.039
bonds (distance) P-C4' energy: -15.876
flat angles C4'-P-C4' energy: -18.863
flat angles P-C4'-P energy: -16.100
tors. eta vs tors. theta energy: -20.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -279.262131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.262131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.262131 (E_RNA)
where:
Base-Base interactions energy: -191.008
where: short stacking energy: -84.292
Base-Backbone interact. energy: -0.014
local terms energy: -88.240527
where:
bonds (distance) C4'-P energy: -16.435
bonds (distance) P-C4' energy: -18.255
flat angles C4'-P-C4' energy: -19.029
flat angles P-C4'-P energy: -9.834
tors. eta vs tors. theta energy: -24.688
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: 3
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -267.886552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.886552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.886552 (E_RNA)
where:
Base-Base interactions energy: -186.074
where: short stacking energy: -66.165
Base-Backbone interact. energy: -0.619
local terms energy: -81.193912
where:
bonds (distance) C4'-P energy: -14.064
bonds (distance) P-C4' energy: -14.264
flat angles C4'-P-C4' energy: -20.180
flat angles P-C4'-P energy: -11.230
tors. eta vs tors. theta energy: -21.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 173
Temperature: 1.150000
Total energy: -265.553613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.553613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.553613 (E_RNA)
where:
Base-Base interactions energy: -174.862
where: short stacking energy: -71.556
Base-Backbone interact. energy: -0.276
local terms energy: -90.415563
where:
bonds (distance) C4'-P energy: -18.936
bonds (distance) P-C4' energy: -14.347
flat angles C4'-P-C4' energy: -18.356
flat angles P-C4'-P energy: -14.189
tors. eta vs tors. theta energy: -24.588
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: 173
Temperature: 1.200000
Total energy: -261.533528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.533528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.533528 (E_RNA)
where:
Base-Base interactions energy: -179.862
where: short stacking energy: -64.454
Base-Backbone interact. energy: -0.278
local terms energy: -81.393564
where:
bonds (distance) C4'-P energy: -10.262
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -21.440
flat angles P-C4'-P energy: -11.167
tors. eta vs tors. theta energy: -20.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -109.484633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.484633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.484633 (E_RNA)
where:
Base-Base interactions energy: -42.953
where: short stacking energy: -42.953
Base-Backbone interact. energy: -0.788
local terms energy: -65.743764
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -16.949
flat angles C4'-P-C4' energy: -16.460
flat angles P-C4'-P energy: -6.469
tors. eta vs tors. theta energy: -12.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -99.789489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.789489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.789489 (E_RNA)
where:
Base-Base interactions energy: -32.726
where: short stacking energy: -28.091
Base-Backbone interact. energy: -0.393
local terms energy: -66.669967
where:
bonds (distance) C4'-P energy: -17.435
bonds (distance) P-C4' energy: -20.619
flat angles C4'-P-C4' energy: -13.152
flat angles P-C4'-P energy: -10.380
tors. eta vs tors. theta energy: -5.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -101.324673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.324673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.324673 (E_RNA)
where:
Base-Base interactions energy: -36.991
where: short stacking energy: -29.105
Base-Backbone interact. energy: -0.250
local terms energy: -64.083698
where:
bonds (distance) C4'-P energy: -15.339
bonds (distance) P-C4' energy: -21.359
flat angles C4'-P-C4' energy: -17.770
flat angles P-C4'-P energy: -8.692
tors. eta vs tors. theta energy: -0.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -294.507335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.507335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.507335 (E_RNA)
where:
Base-Base interactions energy: -201.831
where: short stacking energy: -85.998
Base-Backbone interact. energy: -0.002
local terms energy: -92.673460
where:
bonds (distance) C4'-P energy: -12.301
bonds (distance) P-C4' energy: -21.200
flat angles C4'-P-C4' energy: -18.977
flat angles P-C4'-P energy: -11.887
tors. eta vs tors. theta energy: -28.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -283.024421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.024421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.024421 (E_RNA)
where:
Base-Base interactions energy: -195.870
where: short stacking energy: -82.983
Base-Backbone interact. energy: -0.218
local terms energy: -86.936624
where:
bonds (distance) C4'-P energy: -15.293
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -18.427
flat angles P-C4'-P energy: -12.397
tors. eta vs tors. theta energy: -24.905
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: 3, replica: 7
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -284.836860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.836860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.836860 (E_RNA)
where:
Base-Base interactions energy: -199.554
where: short stacking energy: -77.970
Base-Backbone interact. energy: -0.025
local terms energy: -85.257577
where:
bonds (distance) C4'-P energy: -16.867
bonds (distance) P-C4' energy: -15.517
flat angles C4'-P-C4' energy: -16.495
flat angles P-C4'-P energy: -14.205
tors. eta vs tors. theta energy: -22.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -279.924788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.924788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.924788 (E_RNA)
where:
Base-Base interactions energy: -186.517
where: short stacking energy: -74.474
Base-Backbone interact. energy: -1.293
local terms energy: -92.114833
where:
bonds (distance) C4'-P energy: -17.951
bonds (distance) P-C4' energy: -18.029
flat angles C4'-P-C4' energy: -16.861
flat angles P-C4'-P energy: -14.693
tors. eta vs tors. theta energy: -24.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -264.352753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.352753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.352753 (E_RNA)
where:
Base-Base interactions energy: -180.744
where: short stacking energy: -72.565
Base-Backbone interact. energy: -0.014
local terms energy: -83.595106
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -13.671
flat angles C4'-P-C4' energy: -17.716
flat angles P-C4'-P energy: -11.857
tors. eta vs tors. theta energy: -25.950
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: 3
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -265.054150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.054150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.054150 (E_RNA)
where:
Base-Base interactions energy: -173.929
where: short stacking energy: -70.837
Base-Backbone interact. energy: -0.504
local terms energy: -90.620583
where:
bonds (distance) C4'-P energy: -13.149
bonds (distance) P-C4' energy: -18.083
flat angles C4'-P-C4' energy: -22.398
flat angles P-C4'-P energy: -14.306
tors. eta vs tors. theta energy: -22.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -266.454293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.454293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.454293 (E_RNA)
where:
Base-Base interactions energy: -178.267
where: short stacking energy: -77.482
Base-Backbone interact. energy: -0.437
local terms energy: -87.750000
where:
bonds (distance) C4'-P energy: -14.721
bonds (distance) P-C4' energy: -18.797
flat angles C4'-P-C4' energy: -16.162
flat angles P-C4'-P energy: -12.058
tors. eta vs tors. theta energy: -26.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -109.729894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.729894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.729894 (E_RNA)
where:
Base-Base interactions energy: -39.865
where: short stacking energy: -38.741
Base-Backbone interact. energy: -0.127
local terms energy: -69.737650
where:
bonds (distance) C4'-P energy: -14.180
bonds (distance) P-C4' energy: -18.924
flat angles C4'-P-C4' energy: -18.661
flat angles P-C4'-P energy: -11.268
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: 9, replica: 8
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -94.773955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.773955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.773955 (E_RNA)
where:
Base-Base interactions energy: -36.805
where: short stacking energy: -33.817
Base-Backbone interact. energy: -0.707
local terms energy: -57.261576
where:
bonds (distance) C4'-P energy: -13.774
bonds (distance) P-C4' energy: -13.429
flat angles C4'-P-C4' energy: -14.410
flat angles P-C4'-P energy: -13.003
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: 6
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -90.363934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.363934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.363934 (E_RNA)
where:
Base-Base interactions energy: -35.620
where: short stacking energy: -29.301
Base-Backbone interact. energy: -0.222
local terms energy: -54.521273
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -19.632
flat angles C4'-P-C4' energy: -13.916
flat angles P-C4'-P energy: -7.433
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: 1, replica: 2
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -297.824588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.824588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.824588 (E_RNA)
where:
Base-Base interactions energy: -194.930
where: short stacking energy: -86.305
Base-Backbone interact. energy: -0.683
local terms energy: -102.211452
where:
bonds (distance) C4'-P energy: -18.967
bonds (distance) P-C4' energy: -23.569
flat angles C4'-P-C4' energy: -20.133
flat angles P-C4'-P energy: -14.376
tors. eta vs tors. theta energy: -25.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -297.907382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.907382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.907382 (E_RNA)
where:
Base-Base interactions energy: -201.531
where: short stacking energy: -82.690
Base-Backbone interact. energy: -0.000
local terms energy: -96.375653
where:
bonds (distance) C4'-P energy: -18.033
bonds (distance) P-C4' energy: -18.325
flat angles C4'-P-C4' energy: -18.521
flat angles P-C4'-P energy: -14.252
tors. eta vs tors. theta energy: -27.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -279.554547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.554547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.554547 (E_RNA)
where:
Base-Base interactions energy: -193.362
where: short stacking energy: -78.585
Base-Backbone interact. energy: -1.186
local terms energy: -85.006987
where:
bonds (distance) C4'-P energy: -13.335
bonds (distance) P-C4' energy: -16.593
flat angles C4'-P-C4' energy: -16.410
flat angles P-C4'-P energy: -15.204
tors. eta vs tors. theta energy: -23.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -279.191983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.191983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.191983 (E_RNA)
where:
Base-Base interactions energy: -187.603
where: short stacking energy: -78.150
Base-Backbone interact. energy: -0.036
local terms energy: -91.553209
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -17.256
flat angles C4'-P-C4' energy: -20.498
flat angles P-C4'-P energy: -11.920
tors. eta vs tors. theta energy: -25.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -275.941021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.941021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.941021 (E_RNA)
where:
Base-Base interactions energy: -187.619
where: short stacking energy: -75.514
Base-Backbone interact. energy: -0.067
local terms energy: -88.254621
where:
bonds (distance) C4'-P energy: -17.255
bonds (distance) P-C4' energy: -16.824
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -13.584
tors. eta vs tors. theta energy: -23.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -266.094777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.094777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.094777 (E_RNA)
where:
Base-Base interactions energy: -179.265
where: short stacking energy: -73.721
Base-Backbone interact. energy: -0.997
local terms energy: -85.833385
where:
bonds (distance) C4'-P energy: -17.384
bonds (distance) P-C4' energy: -18.241
flat angles C4'-P-C4' energy: -16.836
flat angles P-C4'-P energy: -9.885
tors. eta vs tors. theta energy: -23.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 175
Temperature: 1.200000
Total energy: -245.335048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.335048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.335048 (E_RNA)
where:
Base-Base interactions energy: -163.935
where: short stacking energy: -68.123
Base-Backbone interact. energy: -0.375
local terms energy: -81.024491
where:
bonds (distance) C4'-P energy: -13.888
bonds (distance) P-C4' energy: -21.496
flat angles C4'-P-C4' energy: -16.379
flat angles P-C4'-P energy: -11.044
tors. eta vs tors. theta energy: -18.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -99.457185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.457185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.457185 (E_RNA)
where:
Base-Base interactions energy: -36.242
where: short stacking energy: -35.159
Base-Backbone interact. energy: -0.102
local terms energy: -63.112868
where:
bonds (distance) C4'-P energy: -15.463
bonds (distance) P-C4' energy: -19.532
flat angles C4'-P-C4' energy: -16.094
flat angles P-C4'-P energy: -5.054
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: 9, replica: 4
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -97.043440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.043440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.043440 (E_RNA)
where:
Base-Base interactions energy: -44.653
where: short stacking energy: -33.802
Base-Backbone interact. energy: -0.136
local terms energy: -52.254302
where:
bonds (distance) C4'-P energy: -15.052
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -16.781
flat angles P-C4'-P energy: -1.966
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: 10, replica: 6
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -81.843950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.843950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.843950 (E_RNA)
where:
Base-Base interactions energy: -30.344
where: short stacking energy: -21.312
Base-Backbone interact. energy: 0.087
local terms energy: -51.586577
where:
bonds (distance) C4'-P energy: -16.522
bonds (distance) P-C4' energy: -12.661
flat angles C4'-P-C4' energy: -12.549
flat angles P-C4'-P energy: -13.138
tors. eta vs tors. theta energy: 3.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -294.574616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.574616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.574616 (E_RNA)
where:
Base-Base interactions energy: -200.188
where: short stacking energy: -84.369
Base-Backbone interact. energy: -0.004
local terms energy: -94.382658
where:
bonds (distance) C4'-P energy: -19.837
bonds (distance) P-C4' energy: -18.058
flat angles C4'-P-C4' energy: -18.983
flat angles P-C4'-P energy: -11.505
tors. eta vs tors. theta energy: -26.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -287.408167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.408167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.408167 (E_RNA)
where:
Base-Base interactions energy: -193.215
where: short stacking energy: -81.337
Base-Backbone interact. energy: -0.011
local terms energy: -94.181813
where:
bonds (distance) C4'-P energy: -18.100
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -21.211
flat angles P-C4'-P energy: -12.625
tors. eta vs tors. theta energy: -24.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -286.925355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.925355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.925355 (E_RNA)
where:
Base-Base interactions energy: -196.083
where: short stacking energy: -82.900
Base-Backbone interact. energy: -0.021
local terms energy: -90.821070
where:
bonds (distance) C4'-P energy: -14.586
bonds (distance) P-C4' energy: -19.077
flat angles C4'-P-C4' energy: -21.078
flat angles P-C4'-P energy: -11.366
tors. eta vs tors. theta energy: -24.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -273.607389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.607389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.607389 (E_RNA)
where:
Base-Base interactions energy: -179.844
where: short stacking energy: -84.814
Base-Backbone interact. energy: -0.043
local terms energy: -93.720767
where:
bonds (distance) C4'-P energy: -16.179
bonds (distance) P-C4' energy: -22.674
flat angles C4'-P-C4' energy: -16.030
flat angles P-C4'-P energy: -10.824
tors. eta vs tors. theta energy: -28.014
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: 176
Temperature: 1.100000
Total energy: -266.999542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.999542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.999542 (E_RNA)
where:
Base-Base interactions energy: -178.481
where: short stacking energy: -76.223
Base-Backbone interact. energy: -0.195
local terms energy: -88.323514
where:
bonds (distance) C4'-P energy: -16.898
bonds (distance) P-C4' energy: -19.507
flat angles C4'-P-C4' energy: -17.501
flat angles P-C4'-P energy: -14.086
tors. eta vs tors. theta energy: -20.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -267.077705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.077705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.077705 (E_RNA)
where:
Base-Base interactions energy: -181.133
where: short stacking energy: -71.526
Base-Backbone interact. energy: -0.056
local terms energy: -85.887889
where:
bonds (distance) C4'-P energy: -16.675
bonds (distance) P-C4' energy: -20.858
flat angles C4'-P-C4' energy: -14.705
flat angles P-C4'-P energy: -12.777
tors. eta vs tors. theta energy: -20.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -202.467106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.467106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.467106 (E_RNA)
where:
Base-Base interactions energy: -124.386
where: short stacking energy: -58.060
Base-Backbone interact. energy: -0.301
local terms energy: -77.780359
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -16.825
flat angles C4'-P-C4' energy: -20.422
flat angles P-C4'-P energy: -8.961
tors. eta vs tors. theta energy: -15.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -88.433713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.433713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.433713 (E_RNA)
where:
Base-Base interactions energy: -27.398
where: short stacking energy: -20.920
Base-Backbone interact. energy: -0.115
local terms energy: -60.920939
where:
bonds (distance) C4'-P energy: -16.750
bonds (distance) P-C4' energy: -17.918
flat angles C4'-P-C4' energy: -15.360
flat angles P-C4'-P energy: -6.512
tors. eta vs tors. theta energy: -4.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -115.295224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.295224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.295224 (E_RNA)
where:
Base-Base interactions energy: -44.030
where: short stacking energy: -35.035
Base-Backbone interact. energy: -0.244
local terms energy: -71.021788
where:
bonds (distance) C4'-P energy: -19.325
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -19.611
flat angles P-C4'-P energy: -11.302
tors. eta vs tors. theta energy: -5.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -91.348052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.348052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.348052 (E_RNA)
where:
Base-Base interactions energy: -30.115
where: short stacking energy: -28.204
Base-Backbone interact. energy: -0.058
local terms energy: -61.175636
where:
bonds (distance) C4'-P energy: -17.549
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -14.721
flat angles P-C4'-P energy: -9.390
tors. eta vs tors. theta energy: -4.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -286.243542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.243542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.243542 (E_RNA)
where:
Base-Base interactions energy: -194.591
where: short stacking energy: -78.527
Base-Backbone interact. energy: 0.932
local terms energy: -92.584011
where:
bonds (distance) C4'-P energy: -18.754
bonds (distance) P-C4' energy: -19.618
flat angles C4'-P-C4' energy: -18.376
flat angles P-C4'-P energy: -10.540
tors. eta vs tors. theta energy: -25.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -288.934654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.934654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.934654 (E_RNA)
where:
Base-Base interactions energy: -197.466
where: short stacking energy: -76.240
Base-Backbone interact. energy: 0.990
local terms energy: -92.459582
where:
bonds (distance) C4'-P energy: -16.128
bonds (distance) P-C4' energy: -20.160
flat angles C4'-P-C4' energy: -14.694
flat angles P-C4'-P energy: -14.415
tors. eta vs tors. theta energy: -27.062
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: 9
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -276.851976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.851976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.851976 (E_RNA)
where:
Base-Base interactions energy: -181.945
where: short stacking energy: -78.981
Base-Backbone interact. energy: -0.238
local terms energy: -94.669427
where:
bonds (distance) C4'-P energy: -14.779
bonds (distance) P-C4' energy: -16.305
flat angles C4'-P-C4' energy: -19.952
flat angles P-C4'-P energy: -16.230
tors. eta vs tors. theta energy: -27.402
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: 7
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -275.794005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.794005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.794005 (E_RNA)
where:
Base-Base interactions energy: -188.876
where: short stacking energy: -74.064
Base-Backbone interact. energy: -0.113
local terms energy: -86.804987
where:
bonds (distance) C4'-P energy: -18.691
bonds (distance) P-C4' energy: -13.114
flat angles C4'-P-C4' energy: -17.232
flat angles P-C4'-P energy: -14.824
tors. eta vs tors. theta energy: -22.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -261.584856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.584856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.584856 (E_RNA)
where:
Base-Base interactions energy: -171.818
where: short stacking energy: -85.719
Base-Backbone interact. energy: 0.426
local terms energy: -90.192976
where:
bonds (distance) C4'-P energy: -16.063
bonds (distance) P-C4' energy: -21.687
flat angles C4'-P-C4' energy: -14.123
flat angles P-C4'-P energy: -14.843
tors. eta vs tors. theta energy: -23.477
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: 5
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -277.330841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.330841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.330841 (E_RNA)
where:
Base-Base interactions energy: -190.882
where: short stacking energy: -79.969
Base-Backbone interact. energy: -0.238
local terms energy: -86.210370
where:
bonds (distance) C4'-P energy: -14.511
bonds (distance) P-C4' energy: -19.668
flat angles C4'-P-C4' energy: -17.279
flat angles P-C4'-P energy: -12.619
tors. eta vs tors. theta energy: -22.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -203.880269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.880269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.880269 (E_RNA)
where:
Base-Base interactions energy: -127.044
where: short stacking energy: -54.730
Base-Backbone interact. energy: -0.573
local terms energy: -76.262613
where:
bonds (distance) C4'-P energy: -13.425
bonds (distance) P-C4' energy: -18.670
flat angles C4'-P-C4' energy: -17.260
flat angles P-C4'-P energy: -11.735
tors. eta vs tors. theta energy: -15.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 177
Temperature: 1.250000
Total energy: -98.197541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.197541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.197541 (E_RNA)
where:
Base-Base interactions energy: -35.960
where: short stacking energy: -35.060
Base-Backbone interact. energy: 0.308
local terms energy: -62.545871
where:
bonds (distance) C4'-P energy: -12.420
bonds (distance) P-C4' energy: -14.757
flat angles C4'-P-C4' energy: -14.575
flat angles P-C4'-P energy: -13.267
tors. eta vs tors. theta energy: -7.527
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: 8
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -89.418038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.418038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.418038 (E_RNA)
where:
Base-Base interactions energy: -29.046
where: short stacking energy: -29.046
Base-Backbone interact. energy: -0.125
local terms energy: -60.246849
where:
bonds (distance) C4'-P energy: -15.392
bonds (distance) P-C4' energy: -17.080
flat angles C4'-P-C4' energy: -18.193
flat angles P-C4'-P energy: -0.626
tors. eta vs tors. theta energy: -8.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -89.903904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.903904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.903904 (E_RNA)
where:
Base-Base interactions energy: -32.961
where: short stacking energy: -28.987
Base-Backbone interact. energy: -0.449
local terms energy: -56.493964
where:
bonds (distance) C4'-P energy: -12.241
bonds (distance) P-C4' energy: -15.214
flat angles C4'-P-C4' energy: -15.337
flat angles P-C4'-P energy: -10.228
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: 2
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -288.360060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.360060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.360060 (E_RNA)
where:
Base-Base interactions energy: -187.397
where: short stacking energy: -76.137
Base-Backbone interact. energy: -0.100
local terms energy: -100.862967
where:
bonds (distance) C4'-P energy: -20.104
bonds (distance) P-C4' energy: -20.968
flat angles C4'-P-C4' energy: -19.165
flat angles P-C4'-P energy: -15.939
tors. eta vs tors. theta energy: -24.688
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: 1
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -293.351880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.351880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.351880 (E_RNA)
where:
Base-Base interactions energy: -202.538
where: short stacking energy: -84.735
Base-Backbone interact. energy: -1.012
local terms energy: -89.802136
where:
bonds (distance) C4'-P energy: -15.177
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -19.799
flat angles P-C4'-P energy: -14.934
tors. eta vs tors. theta energy: -23.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -280.408499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.408499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.408499 (E_RNA)
where:
Base-Base interactions energy: -187.863
where: short stacking energy: -70.206
Base-Backbone interact. energy: -0.036
local terms energy: -92.509682
where:
bonds (distance) C4'-P energy: -18.948
bonds (distance) P-C4' energy: -20.081
flat angles C4'-P-C4' energy: -14.237
flat angles P-C4'-P energy: -16.035
tors. eta vs tors. theta energy: -23.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -278.673091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.673091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.673091 (E_RNA)
where:
Base-Base interactions energy: -190.942
where: short stacking energy: -77.125
Base-Backbone interact. energy: -0.019
local terms energy: -87.712512
where:
bonds (distance) C4'-P energy: -19.022
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -16.483
flat angles P-C4'-P energy: -11.107
tors. eta vs tors. theta energy: -23.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -241.838259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.838259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.838259 (E_RNA)
where:
Base-Base interactions energy: -158.331
where: short stacking energy: -68.392
Base-Backbone interact. energy: -1.172
local terms energy: -82.334904
where:
bonds (distance) C4'-P energy: -18.091
bonds (distance) P-C4' energy: -18.443
flat angles C4'-P-C4' energy: -15.046
flat angles P-C4'-P energy: -10.737
tors. eta vs tors. theta energy: -20.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -252.292973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.292973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.292973 (E_RNA)
where:
Base-Base interactions energy: -170.403
where: short stacking energy: -67.135
Base-Backbone interact. energy: -0.903
local terms energy: -80.986980
where:
bonds (distance) C4'-P energy: -15.015
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -16.271
flat angles P-C4'-P energy: -10.925
tors. eta vs tors. theta energy: -23.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -102.391689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.391689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.391689 (E_RNA)
where:
Base-Base interactions energy: -33.357
where: short stacking energy: -33.357
Base-Backbone interact. energy: -0.278
local terms energy: -68.757213
where:
bonds (distance) C4'-P energy: -15.587
bonds (distance) P-C4' energy: -20.037
flat angles C4'-P-C4' energy: -18.758
flat angles P-C4'-P energy: -9.025
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: 8, replica: 10
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -189.046652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.046652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.046652 (E_RNA)
where:
Base-Base interactions energy: -126.630
where: short stacking energy: -61.320
Base-Backbone interact. energy: -0.263
local terms energy: -62.154062
where:
bonds (distance) C4'-P energy: -17.198
bonds (distance) P-C4' energy: -10.198
flat angles C4'-P-C4' energy: -10.205
flat angles P-C4'-P energy: -9.292
tors. eta vs tors. theta energy: -15.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -98.179006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.179006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.179006 (E_RNA)
where:
Base-Base interactions energy: -34.477
where: short stacking energy: -30.649
Base-Backbone interact. energy: -0.963
local terms energy: -62.738905
where:
bonds (distance) C4'-P energy: -12.201
bonds (distance) P-C4' energy: -18.687
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -8.471
tors. eta vs tors. theta energy: -9.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -96.003562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.003562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.003562 (E_RNA)
where:
Base-Base interactions energy: -31.223
where: short stacking energy: -29.646
Base-Backbone interact. energy: -0.362
local terms energy: -64.419284
where:
bonds (distance) C4'-P energy: -12.332
bonds (distance) P-C4' energy: -23.612
flat angles C4'-P-C4' energy: -16.495
flat angles P-C4'-P energy: -8.671
tors. eta vs tors. theta energy: -3.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -296.833110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.833110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.833110 (E_RNA)
where:
Base-Base interactions energy: -197.372
where: short stacking energy: -79.393
Base-Backbone interact. energy: -0.637
local terms energy: -98.824426
where:
bonds (distance) C4'-P energy: -16.738
bonds (distance) P-C4' energy: -21.018
flat angles C4'-P-C4' energy: -19.947
flat angles P-C4'-P energy: -13.108
tors. eta vs tors. theta energy: -28.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -286.349961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.349961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.349961 (E_RNA)
where:
Base-Base interactions energy: -185.203
where: short stacking energy: -84.345
Base-Backbone interact. energy: -1.559
local terms energy: -99.588401
where:
bonds (distance) C4'-P energy: -19.262
bonds (distance) P-C4' energy: -17.106
flat angles C4'-P-C4' energy: -20.978
flat angles P-C4'-P energy: -15.288
tors. eta vs tors. theta energy: -26.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -280.553428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.553428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.553428 (E_RNA)
where:
Base-Base interactions energy: -188.490
where: short stacking energy: -70.370
Base-Backbone interact. energy: 0.223
local terms energy: -92.287217
where:
bonds (distance) C4'-P energy: -17.689
bonds (distance) P-C4' energy: -22.589
flat angles C4'-P-C4' energy: -18.204
flat angles P-C4'-P energy: -14.625
tors. eta vs tors. theta energy: -19.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -281.565585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.565585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.565585 (E_RNA)
where:
Base-Base interactions energy: -191.517
where: short stacking energy: -73.858
Base-Backbone interact. energy: -0.143
local terms energy: -89.906335
where:
bonds (distance) C4'-P energy: -16.012
bonds (distance) P-C4' energy: -18.076
flat angles C4'-P-C4' energy: -18.415
flat angles P-C4'-P energy: -15.660
tors. eta vs tors. theta energy: -21.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 179
Temperature: 1.100000
Total energy: -216.185704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.185704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.185704 (E_RNA)
where:
Base-Base interactions energy: -137.412
where: short stacking energy: -59.933
Base-Backbone interact. energy: -0.486
local terms energy: -78.288003
where:
bonds (distance) C4'-P energy: -12.912
bonds (distance) P-C4' energy: -15.633
flat angles C4'-P-C4' energy: -22.709
flat angles P-C4'-P energy: -11.794
tors. eta vs tors. theta energy: -15.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -272.611101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.611101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.611101 (E_RNA)
where:
Base-Base interactions energy: -184.374
where: short stacking energy: -74.119
Base-Backbone interact. energy: -0.280
local terms energy: -87.956457
where:
bonds (distance) C4'-P energy: -15.338
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -17.981
flat angles P-C4'-P energy: -14.397
tors. eta vs tors. theta energy: -24.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -94.867249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.867249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.867249 (E_RNA)
where:
Base-Base interactions energy: -28.858
where: short stacking energy: -28.858
Base-Backbone interact. energy: -0.183
local terms energy: -65.826952
where:
bonds (distance) C4'-P energy: -17.563
bonds (distance) P-C4' energy: -20.334
flat angles C4'-P-C4' energy: -16.907
flat angles P-C4'-P energy: -11.127
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: 8, replica: 10
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -161.902815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.902815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.902815 (E_RNA)
where:
Base-Base interactions energy: -94.981
where: short stacking energy: -45.747
Base-Backbone interact. energy: -1.185
local terms energy: -65.737369
where:
bonds (distance) C4'-P energy: -15.635
bonds (distance) P-C4' energy: -18.307
flat angles C4'-P-C4' energy: -17.018
flat angles P-C4'-P energy: -5.778
tors. eta vs tors. theta energy: -8.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -86.085285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.085285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.085285 (E_RNA)
where:
Base-Base interactions energy: -39.712
where: short stacking energy: -31.546
Base-Backbone interact. energy: -0.335
local terms energy: -46.038627
where:
bonds (distance) C4'-P energy: -15.513
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -7.164
flat angles P-C4'-P energy: -6.162
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: 10, replica: 4
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -88.766479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.766479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.766479 (E_RNA)
where:
Base-Base interactions energy: -31.947
where: short stacking energy: -22.969
Base-Backbone interact. energy: -0.193
local terms energy: -56.626567
where:
bonds (distance) C4'-P energy: -7.184
bonds (distance) P-C4' energy: -19.499
flat angles C4'-P-C4' energy: -16.751
flat angles P-C4'-P energy: -10.999
tors. eta vs tors. theta energy: -2.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -297.217855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.217855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.217855 (E_RNA)
where:
Base-Base interactions energy: -204.203
where: short stacking energy: -88.250
Base-Backbone interact. energy: -0.005
local terms energy: -93.009825
where:
bonds (distance) C4'-P energy: -14.406
bonds (distance) P-C4' energy: -17.323
flat angles C4'-P-C4' energy: -19.387
flat angles P-C4'-P energy: -14.838
tors. eta vs tors. theta energy: -27.056
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: 1
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -289.419994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.419994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.419994 (E_RNA)
where:
Base-Base interactions energy: -197.780
where: short stacking energy: -72.988
Base-Backbone interact. energy: -0.720
local terms energy: -90.920455
where:
bonds (distance) C4'-P energy: -17.864
bonds (distance) P-C4' energy: -21.718
flat angles C4'-P-C4' energy: -20.154
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -21.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -276.406499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.406499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.406499 (E_RNA)
where:
Base-Base interactions energy: -183.170
where: short stacking energy: -70.546
Base-Backbone interact. energy: 0.026
local terms energy: -93.262023
where:
bonds (distance) C4'-P energy: -18.145
bonds (distance) P-C4' energy: -17.772
flat angles C4'-P-C4' energy: -22.125
flat angles P-C4'-P energy: -11.255
tors. eta vs tors. theta energy: -23.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -273.674346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.674346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.674346 (E_RNA)
where:
Base-Base interactions energy: -182.583
where: short stacking energy: -78.730
Base-Backbone interact. energy: -1.468
local terms energy: -89.623303
where:
bonds (distance) C4'-P energy: -17.426
bonds (distance) P-C4' energy: -22.194
flat angles C4'-P-C4' energy: -17.119
flat angles P-C4'-P energy: -13.008
tors. eta vs tors. theta energy: -19.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -265.420708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.420708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.420708 (E_RNA)
where:
Base-Base interactions energy: -179.385
where: short stacking energy: -63.374
Base-Backbone interact. energy: -0.567
local terms energy: -85.468745
where:
bonds (distance) C4'-P energy: -17.151
bonds (distance) P-C4' energy: -17.701
flat angles C4'-P-C4' energy: -16.099
flat angles P-C4'-P energy: -13.696
tors. eta vs tors. theta energy: -20.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -272.887017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.887017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.887017 (E_RNA)
where:
Base-Base interactions energy: -183.847
where: short stacking energy: -81.628
Base-Backbone interact. energy: -0.010
local terms energy: -89.030726
where:
bonds (distance) C4'-P energy: -18.409
bonds (distance) P-C4' energy: -13.026
flat angles C4'-P-C4' energy: -14.321
flat angles P-C4'-P energy: -16.156
tors. eta vs tors. theta energy: -27.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -184.638936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.638936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.638936 (E_RNA)
where:
Base-Base interactions energy: -111.553
where: short stacking energy: -40.961
Base-Backbone interact. energy: -0.461
local terms energy: -72.625274
where:
bonds (distance) C4'-P energy: -14.071
bonds (distance) P-C4' energy: -21.371
flat angles C4'-P-C4' energy: -13.432
flat angles P-C4'-P energy: -12.074
tors. eta vs tors. theta energy: -11.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -108.645900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.645900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.645900 (E_RNA)
where:
Base-Base interactions energy: -39.395
where: short stacking energy: -39.395
Base-Backbone interact. energy: -0.271
local terms energy: -68.980067
where:
bonds (distance) C4'-P energy: -15.335
bonds (distance) P-C4' energy: -18.189
flat angles C4'-P-C4' energy: -15.716
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -8.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -198.103406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.103406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.103406 (E_RNA)
where:
Base-Base interactions energy: -127.355
where: short stacking energy: -61.874
Base-Backbone interact. energy: -0.093
local terms energy: -70.655217
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -15.562
flat angles C4'-P-C4' energy: -14.451
flat angles P-C4'-P energy: -10.111
tors. eta vs tors. theta energy: -13.427
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: 8
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -94.098876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.098876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.098876 (E_RNA)
where:
Base-Base interactions energy: -48.121
where: short stacking energy: -37.821
Base-Backbone interact. energy: 0.227
local terms energy: -46.204556
where:
bonds (distance) C4'-P energy: -17.649
bonds (distance) P-C4' energy: -10.925
flat angles C4'-P-C4' energy: -6.166
flat angles P-C4'-P energy: -2.826
tors. eta vs tors. theta energy: -8.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -293.942842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.942842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.942842 (E_RNA)
where:
Base-Base interactions energy: -200.746
where: short stacking energy: -89.307
Base-Backbone interact. energy: -0.543
local terms energy: -92.653620
where:
bonds (distance) C4'-P energy: -16.348
bonds (distance) P-C4' energy: -14.342
flat angles C4'-P-C4' energy: -19.770
flat angles P-C4'-P energy: -14.669
tors. eta vs tors. theta energy: -27.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -288.093902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.093902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.093902 (E_RNA)
where:
Base-Base interactions energy: -192.969
where: short stacking energy: -77.325
Base-Backbone interact. energy: -0.120
local terms energy: -95.004373
where:
bonds (distance) C4'-P energy: -19.524
bonds (distance) P-C4' energy: -18.500
flat angles C4'-P-C4' energy: -19.653
flat angles P-C4'-P energy: -12.508
tors. eta vs tors. theta energy: -24.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -285.665663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.665663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.665663 (E_RNA)
where:
Base-Base interactions energy: -191.614
where: short stacking energy: -83.329
Base-Backbone interact. energy: -0.027
local terms energy: -94.024923
where:
bonds (distance) C4'-P energy: -15.503
bonds (distance) P-C4' energy: -20.998
flat angles C4'-P-C4' energy: -20.903
flat angles P-C4'-P energy: -9.919
tors. eta vs tors. theta energy: -26.701
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: 181
Temperature: 1.050000
Total energy: -283.142900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.142900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.142900 (E_RNA)
where:
Base-Base interactions energy: -191.422
where: short stacking energy: -80.568
Base-Backbone interact. energy: -0.005
local terms energy: -91.715863
where:
bonds (distance) C4'-P energy: -18.034
bonds (distance) P-C4' energy: -18.181
flat angles C4'-P-C4' energy: -18.515
flat angles P-C4'-P energy: -11.249
tors. eta vs tors. theta energy: -25.736
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: 7
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -275.557251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.557251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.557251 (E_RNA)
where:
Base-Base interactions energy: -190.948
where: short stacking energy: -74.416
Base-Backbone interact. energy: -0.729
local terms energy: -83.879981
where:
bonds (distance) C4'-P energy: -13.426
bonds (distance) P-C4' energy: -17.597
flat angles C4'-P-C4' energy: -19.947
flat angles P-C4'-P energy: -9.577
tors. eta vs tors. theta energy: -23.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -263.142933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.142933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.142933 (E_RNA)
where:
Base-Base interactions energy: -178.414
where: short stacking energy: -74.919
Base-Backbone interact. energy: 2.450
local terms energy: -87.179253
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -17.386
flat angles C4'-P-C4' energy: -18.459
flat angles P-C4'-P energy: -13.184
tors. eta vs tors. theta energy: -23.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -222.430400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.430400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.430400 (E_RNA)
where:
Base-Base interactions energy: -138.284
where: short stacking energy: -62.296
Base-Backbone interact. energy: -0.517
local terms energy: -83.629059
where:
bonds (distance) C4'-P energy: -18.976
bonds (distance) P-C4' energy: -18.478
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -11.870
tors. eta vs tors. theta energy: -17.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -193.850695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.850695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.850695 (E_RNA)
where:
Base-Base interactions energy: -123.358
where: short stacking energy: -54.519
Base-Backbone interact. energy: -0.137
local terms energy: -70.356367
where:
bonds (distance) C4'-P energy: -9.559
bonds (distance) P-C4' energy: -17.791
flat angles C4'-P-C4' energy: -16.605
flat angles P-C4'-P energy: -9.845
tors. eta vs tors. theta energy: -16.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -89.116783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.116783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.116783 (E_RNA)
where:
Base-Base interactions energy: -34.388
where: short stacking energy: -34.588
Base-Backbone interact. energy: 0.056
local terms energy: -54.785137
where:
bonds (distance) C4'-P energy: -14.080
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -14.699
flat angles P-C4'-P energy: -8.295
tors. eta vs tors. theta energy: -3.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -89.963155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.963155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.963155 (E_RNA)
where:
Base-Base interactions energy: -32.189
where: short stacking energy: -31.964
Base-Backbone interact. energy: -0.495
local terms energy: -57.278762
where:
bonds (distance) C4'-P energy: -12.836
bonds (distance) P-C4' energy: -20.252
flat angles C4'-P-C4' energy: -5.582
flat angles P-C4'-P energy: -11.712
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: 1, replica: 9
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -298.166849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.166849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.166849 (E_RNA)
where:
Base-Base interactions energy: -192.890
where: short stacking energy: -79.304
Base-Backbone interact. energy: -0.920
local terms energy: -104.356578
where:
bonds (distance) C4'-P energy: -19.539
bonds (distance) P-C4' energy: -21.235
flat angles C4'-P-C4' energy: -19.863
flat angles P-C4'-P energy: -15.063
tors. eta vs tors. theta energy: -28.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -288.332203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.332203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.332203 (E_RNA)
where:
Base-Base interactions energy: -193.875
where: short stacking energy: -81.858
Base-Backbone interact. energy: 0.040
local terms energy: -94.496826
where:
bonds (distance) C4'-P energy: -17.814
bonds (distance) P-C4' energy: -21.074
flat angles C4'-P-C4' energy: -18.222
flat angles P-C4'-P energy: -13.101
tors. eta vs tors. theta energy: -24.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -286.576014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.576014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.576014 (E_RNA)
where:
Base-Base interactions energy: -194.288
where: short stacking energy: -74.402
Base-Backbone interact. energy: -0.283
local terms energy: -92.005259
where:
bonds (distance) C4'-P energy: -20.033
bonds (distance) P-C4' energy: -14.287
flat angles C4'-P-C4' energy: -22.141
flat angles P-C4'-P energy: -13.825
tors. eta vs tors. theta energy: -21.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -270.653740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.653740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.653740 (E_RNA)
where:
Base-Base interactions energy: -184.567
where: short stacking energy: -76.404
Base-Backbone interact. energy: -0.277
local terms energy: -85.809683
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -14.553
flat angles C4'-P-C4' energy: -20.049
flat angles P-C4'-P energy: -11.691
tors. eta vs tors. theta energy: -23.805
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: 5, replica: 5
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -270.326835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.326835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.326835 (E_RNA)
where:
Base-Base interactions energy: -186.854
where: short stacking energy: -79.563
Base-Backbone interact. energy: 0.395
local terms energy: -83.867714
where:
bonds (distance) C4'-P energy: -13.922
bonds (distance) P-C4' energy: -17.930
flat angles C4'-P-C4' energy: -18.374
flat angles P-C4'-P energy: -13.808
tors. eta vs tors. theta energy: -19.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -271.560814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.560814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.560814 (E_RNA)
where:
Base-Base interactions energy: -188.483
where: short stacking energy: -78.546
Base-Backbone interact. energy: -0.024
local terms energy: -83.053718
where:
bonds (distance) C4'-P energy: -17.334
bonds (distance) P-C4' energy: -15.803
flat angles C4'-P-C4' energy: -19.724
flat angles P-C4'-P energy: -7.536
tors. eta vs tors. theta energy: -22.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -231.565984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.565984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.565984 (E_RNA)
where:
Base-Base interactions energy: -150.054
where: short stacking energy: -62.160
Base-Backbone interact. energy: -1.782
local terms energy: -79.729739
where:
bonds (distance) C4'-P energy: -16.501
bonds (distance) P-C4' energy: -20.206
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -12.613
tors. eta vs tors. theta energy: -14.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -220.794777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.794777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.794777 (E_RNA)
where:
Base-Base interactions energy: -139.360
where: short stacking energy: -61.874
Base-Backbone interact. energy: 0.152
local terms energy: -81.587076
where:
bonds (distance) C4'-P energy: -17.732
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -19.415
flat angles P-C4'-P energy: -12.760
tors. eta vs tors. theta energy: -14.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -98.119355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.119355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.119355 (E_RNA)
where:
Base-Base interactions energy: -42.044
where: short stacking energy: -23.533
Base-Backbone interact. energy: -0.629
local terms energy: -55.445619
where:
bonds (distance) C4'-P energy: -17.051
bonds (distance) P-C4' energy: -9.038
flat angles C4'-P-C4' energy: -14.149
flat angles P-C4'-P energy: -10.512
tors. eta vs tors. theta energy: -4.696
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: 6
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -99.210584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.210584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.210584 (E_RNA)
where:
Base-Base interactions energy: -33.732
where: short stacking energy: -26.704
Base-Backbone interact. energy: 2.779
local terms energy: -68.257801
where:
bonds (distance) C4'-P energy: -19.436
bonds (distance) P-C4' energy: -13.882
flat angles C4'-P-C4' energy: -17.376
flat angles P-C4'-P energy: -12.269
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: 1, replica: 9
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -292.761200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.761200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.761200 (E_RNA)
where:
Base-Base interactions energy: -201.232
where: short stacking energy: -72.734
Base-Backbone interact. energy: -0.107
local terms energy: -91.422699
where:
bonds (distance) C4'-P energy: -17.911
bonds (distance) P-C4' energy: -19.639
flat angles C4'-P-C4' energy: -19.256
flat angles P-C4'-P energy: -9.804
tors. eta vs tors. theta energy: -24.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -288.135978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.135978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.135978 (E_RNA)
where:
Base-Base interactions energy: -191.221
where: short stacking energy: -83.671
Base-Backbone interact. energy: -0.963
local terms energy: -95.951610
where:
bonds (distance) C4'-P energy: -19.180
bonds (distance) P-C4' energy: -16.454
flat angles C4'-P-C4' energy: -18.656
flat angles P-C4'-P energy: -14.274
tors. eta vs tors. theta energy: -27.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -285.560536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.560536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.560536 (E_RNA)
where:
Base-Base interactions energy: -199.409
where: short stacking energy: -79.636
Base-Backbone interact. energy: -0.724
local terms energy: -85.426951
where:
bonds (distance) C4'-P energy: -19.026
bonds (distance) P-C4' energy: -10.108
flat angles C4'-P-C4' energy: -18.066
flat angles P-C4'-P energy: -15.346
tors. eta vs tors. theta energy: -22.881
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: 5
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -268.534381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.534381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.534381 (E_RNA)
where:
Base-Base interactions energy: -181.642
where: short stacking energy: -67.808
Base-Backbone interact. energy: 1.264
local terms energy: -88.156660
where:
bonds (distance) C4'-P energy: -15.006
bonds (distance) P-C4' energy: -16.493
flat angles C4'-P-C4' energy: -19.942
flat angles P-C4'-P energy: -15.674
tors. eta vs tors. theta energy: -21.042
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: 183
Temperature: 1.100000
Total energy: -280.443233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.443233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.443233 (E_RNA)
where:
Base-Base interactions energy: -183.885
where: short stacking energy: -78.048
Base-Backbone interact. energy: -0.005
local terms energy: -96.552746
where:
bonds (distance) C4'-P energy: -19.301
bonds (distance) P-C4' energy: -20.072
flat angles C4'-P-C4' energy: -21.752
flat angles P-C4'-P energy: -9.313
tors. eta vs tors. theta energy: -26.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -219.515311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.515311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.515311 (E_RNA)
where:
Base-Base interactions energy: -150.130
where: short stacking energy: -61.356
Base-Backbone interact. energy: -0.134
local terms energy: -69.250884
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -18.242
flat angles C4'-P-C4' energy: -16.315
flat angles P-C4'-P energy: -8.584
tors. eta vs tors. theta energy: -10.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -259.528580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.528580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.528580 (E_RNA)
where:
Base-Base interactions energy: -173.169
where: short stacking energy: -69.458
Base-Backbone interact. energy: -0.082
local terms energy: -86.278340
where:
bonds (distance) C4'-P energy: -18.299
bonds (distance) P-C4' energy: -16.401
flat angles C4'-P-C4' energy: -17.815
flat angles P-C4'-P energy: -13.857
tors. eta vs tors. theta energy: -19.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -206.541377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.541377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.541377 (E_RNA)
where:
Base-Base interactions energy: -135.367
where: short stacking energy: -59.291
Base-Backbone interact. energy: -0.221
local terms energy: -70.953979
where:
bonds (distance) C4'-P energy: -14.683
bonds (distance) P-C4' energy: -9.805
flat angles C4'-P-C4' energy: -18.786
flat angles P-C4'-P energy: -11.120
tors. eta vs tors. theta energy: -16.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 183
Temperature: 1.300000
Total energy: -95.190788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.190788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.190788 (E_RNA)
where:
Base-Base interactions energy: -39.784
where: short stacking energy: -30.708
Base-Backbone interact. energy: -0.635
local terms energy: -54.771376
where:
bonds (distance) C4'-P energy: -10.282
bonds (distance) P-C4' energy: -19.280
flat angles C4'-P-C4' energy: -14.903
flat angles P-C4'-P energy: -8.041
tors. eta vs tors. theta energy: -2.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -94.474576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.474576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.474576 (E_RNA)
where:
Base-Base interactions energy: -38.383
where: short stacking energy: -38.383
Base-Backbone interact. energy: -1.158
local terms energy: -54.932856
where:
bonds (distance) C4'-P energy: -14.775
bonds (distance) P-C4' energy: -11.290
flat angles C4'-P-C4' energy: -17.891
flat angles P-C4'-P energy: -7.923
tors. eta vs tors. theta energy: -3.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -291.262329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.262329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.262329 (E_RNA)
where:
Base-Base interactions energy: -197.092
where: short stacking energy: -77.403
Base-Backbone interact. energy: -1.343
local terms energy: -92.827327
where:
bonds (distance) C4'-P energy: -17.626
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -21.188
flat angles P-C4'-P energy: -11.720
tors. eta vs tors. theta energy: -24.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -287.927669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.927669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.927669 (E_RNA)
where:
Base-Base interactions energy: -194.508
where: short stacking energy: -80.361
Base-Backbone interact. energy: -0.283
local terms energy: -93.137567
where:
bonds (distance) C4'-P energy: -14.655
bonds (distance) P-C4' energy: -15.403
flat angles C4'-P-C4' energy: -20.781
flat angles P-C4'-P energy: -14.836
tors. eta vs tors. theta energy: -27.463
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: 3, replica: 2
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -281.217105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.217105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.217105 (E_RNA)
where:
Base-Base interactions energy: -192.471
where: short stacking energy: -81.080
Base-Backbone interact. energy: -0.697
local terms energy: -88.048540
where:
bonds (distance) C4'-P energy: -16.622
bonds (distance) P-C4' energy: -19.442
flat angles C4'-P-C4' energy: -17.718
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -22.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -276.510498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.510498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.510498 (E_RNA)
where:
Base-Base interactions energy: -190.553
where: short stacking energy: -70.938
Base-Backbone interact. energy: -0.983
local terms energy: -84.974277
where:
bonds (distance) C4'-P energy: -16.026
bonds (distance) P-C4' energy: -15.922
flat angles C4'-P-C4' energy: -20.591
flat angles P-C4'-P energy: -8.010
tors. eta vs tors. theta energy: -24.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -227.271813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.271813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.271813 (E_RNA)
where:
Base-Base interactions energy: -142.330
where: short stacking energy: -53.909
Base-Backbone interact. energy: 0.419
local terms energy: -85.360698
where:
bonds (distance) C4'-P energy: -19.693
bonds (distance) P-C4' energy: -20.461
flat angles C4'-P-C4' energy: -18.538
flat angles P-C4'-P energy: -14.990
tors. eta vs tors. theta energy: -11.679
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: 1
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -257.378116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.378116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.378116 (E_RNA)
where:
Base-Base interactions energy: -166.782
where: short stacking energy: -70.244
Base-Backbone interact. energy: -0.193
local terms energy: -90.403148
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -19.918
flat angles C4'-P-C4' energy: -19.267
flat angles P-C4'-P energy: -13.490
tors. eta vs tors. theta energy: -23.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -251.049844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.049844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.049844 (E_RNA)
where:
Base-Base interactions energy: -171.443
where: short stacking energy: -57.180
Base-Backbone interact. energy: -0.653
local terms energy: -78.953735
where:
bonds (distance) C4'-P energy: -19.366
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -17.343
flat angles P-C4'-P energy: -4.800
tors. eta vs tors. theta energy: -20.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -199.640308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.640308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.640308 (E_RNA)
where:
Base-Base interactions energy: -120.444
where: short stacking energy: -49.940
Base-Backbone interact. energy: -0.269
local terms energy: -78.927458
where:
bonds (distance) C4'-P energy: -17.359
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -19.337
flat angles P-C4'-P energy: -12.109
tors. eta vs tors. theta energy: -11.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -94.680742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.680742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.680742 (E_RNA)
where:
Base-Base interactions energy: -39.631
where: short stacking energy: -38.369
Base-Backbone interact. energy: -0.096
local terms energy: -54.954068
where:
bonds (distance) C4'-P energy: -13.661
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -15.179
flat angles P-C4'-P energy: -3.707
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: 10, replica: 6
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -92.308086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.308086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.308086 (E_RNA)
where:
Base-Base interactions energy: -37.465
where: short stacking energy: -37.465
Base-Backbone interact. energy: 0.303
local terms energy: -55.146058
where:
bonds (distance) C4'-P energy: -11.351
bonds (distance) P-C4' energy: -16.214
flat angles C4'-P-C4' energy: -8.979
flat angles P-C4'-P energy: -8.471
tors. eta vs tors. theta energy: -10.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -288.671821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.671821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.671821 (E_RNA)
where:
Base-Base interactions energy: -197.849
where: short stacking energy: -87.382
Base-Backbone interact. energy: 0.321
local terms energy: -91.143891
where:
bonds (distance) C4'-P energy: -18.415
bonds (distance) P-C4' energy: -20.715
flat angles C4'-P-C4' energy: -18.235
flat angles P-C4'-P energy: -9.915
tors. eta vs tors. theta energy: -23.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -284.504653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.504653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.504653 (E_RNA)
where:
Base-Base interactions energy: -186.840
where: short stacking energy: -83.921
Base-Backbone interact. energy: -0.747
local terms energy: -96.917259
where:
bonds (distance) C4'-P energy: -19.925
bonds (distance) P-C4' energy: -19.439
flat angles C4'-P-C4' energy: -18.821
flat angles P-C4'-P energy: -12.345
tors. eta vs tors. theta energy: -26.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -277.072994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.072994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.072994 (E_RNA)
where:
Base-Base interactions energy: -184.176
where: short stacking energy: -67.688
Base-Backbone interact. energy: -1.384
local terms energy: -91.512826
where:
bonds (distance) C4'-P energy: -19.801
bonds (distance) P-C4' energy: -17.839
flat angles C4'-P-C4' energy: -17.118
flat angles P-C4'-P energy: -11.025
tors. eta vs tors. theta energy: -25.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -275.486252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.486252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.486252 (E_RNA)
where:
Base-Base interactions energy: -184.976
where: short stacking energy: -74.437
Base-Backbone interact. energy: -0.571
local terms energy: -89.939430
where:
bonds (distance) C4'-P energy: -14.283
bonds (distance) P-C4' energy: -21.828
flat angles C4'-P-C4' energy: -19.024
flat angles P-C4'-P energy: -14.943
tors. eta vs tors. theta energy: -19.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -226.404776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.404776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.404776 (E_RNA)
where:
Base-Base interactions energy: -150.888
where: short stacking energy: -58.876
Base-Backbone interact. energy: -0.685
local terms energy: -74.831995
where:
bonds (distance) C4'-P energy: -17.992
bonds (distance) P-C4' energy: -15.424
flat angles C4'-P-C4' energy: -18.532
flat angles P-C4'-P energy: -9.021
tors. eta vs tors. theta energy: -13.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -255.412375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.412375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.412375 (E_RNA)
where:
Base-Base interactions energy: -181.894
where: short stacking energy: -66.262
Base-Backbone interact. energy: -0.359
local terms energy: -73.159164
where:
bonds (distance) C4'-P energy: -9.239
bonds (distance) P-C4' energy: -18.296
flat angles C4'-P-C4' energy: -18.317
flat angles P-C4'-P energy: -7.601
tors. eta vs tors. theta energy: -19.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -252.411198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.411198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.411198 (E_RNA)
where:
Base-Base interactions energy: -169.143
where: short stacking energy: -70.228
Base-Backbone interact. energy: -0.068
local terms energy: -83.200754
where:
bonds (distance) C4'-P energy: -15.123
bonds (distance) P-C4' energy: -15.661
flat angles C4'-P-C4' energy: -20.155
flat angles P-C4'-P energy: -11.082
tors. eta vs tors. theta energy: -21.179
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: 10
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -213.130612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.130612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.130612 (E_RNA)
where:
Base-Base interactions energy: -131.269
where: short stacking energy: -54.642
Base-Backbone interact. energy: -0.252
local terms energy: -81.610080
where:
bonds (distance) C4'-P energy: -21.038
bonds (distance) P-C4' energy: -19.107
flat angles C4'-P-C4' energy: -14.922
flat angles P-C4'-P energy: -9.723
tors. eta vs tors. theta energy: -16.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -92.436675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.436675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.436675 (E_RNA)
where:
Base-Base interactions energy: -32.364
where: short stacking energy: -31.080
Base-Backbone interact. energy: -0.202
local terms energy: -59.871239
where:
bonds (distance) C4'-P energy: -14.655
bonds (distance) P-C4' energy: -12.470
flat angles C4'-P-C4' energy: -20.096
flat angles P-C4'-P energy: -10.009
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: 10, replica: 6
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -86.965538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.965538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.965538 (E_RNA)
where:
Base-Base interactions energy: -29.493
where: short stacking energy: -29.493
Base-Backbone interact. energy: -0.014
local terms energy: -57.458221
where:
bonds (distance) C4'-P energy: -11.093
bonds (distance) P-C4' energy: -16.159
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -12.798
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: 1, replica: 3
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -295.327038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.327038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.327038 (E_RNA)
where:
Base-Base interactions energy: -196.054
where: short stacking energy: -74.130
Base-Backbone interact. energy: -1.495
local terms energy: -97.778020
where:
bonds (distance) C4'-P energy: -20.195
bonds (distance) P-C4' energy: -19.577
flat angles C4'-P-C4' energy: -19.787
flat angles P-C4'-P energy: -12.904
tors. eta vs tors. theta energy: -25.316
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: 9
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -285.018044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.018044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.018044 (E_RNA)
where:
Base-Base interactions energy: -188.977
where: short stacking energy: -78.231
Base-Backbone interact. energy: -0.035
local terms energy: -96.005899
where:
bonds (distance) C4'-P energy: -19.264
bonds (distance) P-C4' energy: -19.980
flat angles C4'-P-C4' energy: -19.663
flat angles P-C4'-P energy: -12.992
tors. eta vs tors. theta energy: -24.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -283.974846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.974846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.974846 (E_RNA)
where:
Base-Base interactions energy: -189.059
where: short stacking energy: -71.711
Base-Backbone interact. energy: -0.533
local terms energy: -94.382341
where:
bonds (distance) C4'-P energy: -17.320
bonds (distance) P-C4' energy: -20.427
flat angles C4'-P-C4' energy: -19.067
flat angles P-C4'-P energy: -12.288
tors. eta vs tors. theta energy: -25.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -276.344000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.344000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.344000 (E_RNA)
where:
Base-Base interactions energy: -187.574
where: short stacking energy: -72.878
Base-Backbone interact. energy: -0.119
local terms energy: -88.651751
where:
bonds (distance) C4'-P energy: -17.981
bonds (distance) P-C4' energy: -18.743
flat angles C4'-P-C4' energy: -14.147
flat angles P-C4'-P energy: -12.593
tors. eta vs tors. theta energy: -25.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -267.165584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.165584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.165584 (E_RNA)
where:
Base-Base interactions energy: -175.786
where: short stacking energy: -76.551
Base-Backbone interact. energy: -1.090
local terms energy: -90.289513
where:
bonds (distance) C4'-P energy: -17.520
bonds (distance) P-C4' energy: -17.194
flat angles C4'-P-C4' energy: -17.274
flat angles P-C4'-P energy: -13.838
tors. eta vs tors. theta energy: -24.463
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: 186
Temperature: 1.150000
Total energy: -231.855819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.855819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.855819 (E_RNA)
where:
Base-Base interactions energy: -156.894
where: short stacking energy: -62.435
Base-Backbone interact. energy: -0.222
local terms energy: -74.739935
where:
bonds (distance) C4'-P energy: -16.551
bonds (distance) P-C4' energy: -9.894
flat angles C4'-P-C4' energy: -19.679
flat angles P-C4'-P energy: -13.603
tors. eta vs tors. theta energy: -15.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -252.601943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.601943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.601943 (E_RNA)
where:
Base-Base interactions energy: -173.458
where: short stacking energy: -79.152
Base-Backbone interact. energy: -0.120
local terms energy: -79.023503
where:
bonds (distance) C4'-P energy: -13.244
bonds (distance) P-C4' energy: -16.923
flat angles C4'-P-C4' energy: -19.127
flat angles P-C4'-P energy: -10.015
tors. eta vs tors. theta energy: -19.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -185.573928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.573928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.573928 (E_RNA)
where:
Base-Base interactions energy: -116.644
where: short stacking energy: -49.047
Base-Backbone interact. energy: -0.652
local terms energy: -68.277142
where:
bonds (distance) C4'-P energy: -12.127
bonds (distance) P-C4' energy: -18.769
flat angles C4'-P-C4' energy: -18.115
flat angles P-C4'-P energy: -9.561
tors. eta vs tors. theta energy: -9.705
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: 6
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -94.141202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.141202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.141202 (E_RNA)
where:
Base-Base interactions energy: -25.527
where: short stacking energy: -18.294
Base-Backbone interact. energy: 0.307
local terms energy: -68.921220
where:
bonds (distance) C4'-P energy: -16.982
bonds (distance) P-C4' energy: -19.645
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -13.548
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: 10, replica: 8
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -100.783407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.783407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.783407 (E_RNA)
where:
Base-Base interactions energy: -45.002
where: short stacking energy: -40.437
Base-Backbone interact. energy: -0.111
local terms energy: -55.670175
where:
bonds (distance) C4'-P energy: -8.319
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -17.218
flat angles P-C4'-P energy: -8.033
tors. eta vs tors. theta energy: -4.193
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: 3
=====================================
Write number: 187
Temperature: 0.900000
Total energy: -290.929290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.929290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.929290 (E_RNA)
where:
Base-Base interactions energy: -196.787
where: short stacking energy: -73.085
Base-Backbone interact. energy: -0.399
local terms energy: -93.742448
where:
bonds (distance) C4'-P energy: -21.304
bonds (distance) P-C4' energy: -17.571
flat angles C4'-P-C4' energy: -16.637
flat angles P-C4'-P energy: -14.274
tors. eta vs tors. theta energy: -23.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -289.424319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.424319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.424319 (E_RNA)
where:
Base-Base interactions energy: -192.360
where: short stacking energy: -79.463
Base-Backbone interact. energy: -0.001
local terms energy: -97.062449
where:
bonds (distance) C4'-P energy: -18.390
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -19.434
flat angles P-C4'-P energy: -13.592
tors. eta vs tors. theta energy: -27.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 187
Temperature: 1.000000
Total energy: -286.912074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.912074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.912074 (E_RNA)
where:
Base-Base interactions energy: -193.024
where: short stacking energy: -79.079
Base-Backbone interact. energy: -0.012
local terms energy: -93.876467
where:
bonds (distance) C4'-P energy: -17.742
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -21.842
flat angles P-C4'-P energy: -12.168
tors. eta vs tors. theta energy: -25.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -280.843899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.843899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.843899 (E_RNA)
where:
Base-Base interactions energy: -191.660
where: short stacking energy: -74.814
Base-Backbone interact. energy: -0.371
local terms energy: -88.813472
where:
bonds (distance) C4'-P energy: -16.597
bonds (distance) P-C4' energy: -15.506
flat angles C4'-P-C4' energy: -19.037
flat angles P-C4'-P energy: -13.237
tors. eta vs tors. theta energy: -24.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -277.025985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.025985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.025985 (E_RNA)
where:
Base-Base interactions energy: -190.619
where: short stacking energy: -70.266
Base-Backbone interact. energy: -0.358
local terms energy: -86.048685
where:
bonds (distance) C4'-P energy: -16.940
bonds (distance) P-C4' energy: -15.936
flat angles C4'-P-C4' energy: -19.385
flat angles P-C4'-P energy: -12.633
tors. eta vs tors. theta energy: -21.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -250.737497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.737497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.737497 (E_RNA)
where:
Base-Base interactions energy: -170.525
where: short stacking energy: -65.310
Base-Backbone interact. energy: -0.008
local terms energy: -80.203949
where:
bonds (distance) C4'-P energy: -18.194
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -9.967
tors. eta vs tors. theta energy: -21.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -261.132747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.132747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.132747 (E_RNA)
where:
Base-Base interactions energy: -179.072
where: short stacking energy: -73.714
Base-Backbone interact. energy: -0.188
local terms energy: -81.872833
where:
bonds (distance) C4'-P energy: -20.360
bonds (distance) P-C4' energy: -11.093
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -12.074
tors. eta vs tors. theta energy: -23.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -194.670707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.670707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.670707 (E_RNA)
where:
Base-Base interactions energy: -125.233
where: short stacking energy: -55.411
Base-Backbone interact. energy: 0.137
local terms energy: -69.574900
where:
bonds (distance) C4'-P energy: -16.755
bonds (distance) P-C4' energy: -19.653
flat angles C4'-P-C4' energy: -13.696
flat angles P-C4'-P energy: -8.713
tors. eta vs tors. theta energy: -10.759
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: 6
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -95.409829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.409829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.409829 (E_RNA)
where:
Base-Base interactions energy: -32.488
where: short stacking energy: -31.024
Base-Backbone interact. energy: -0.092
local terms energy: -62.829805
where:
bonds (distance) C4'-P energy: -19.925
bonds (distance) P-C4' energy: -13.816
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -13.260
tors. eta vs tors. theta energy: -0.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -90.113807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.113807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.113807 (E_RNA)
where:
Base-Base interactions energy: -31.742
where: short stacking energy: -30.323
Base-Backbone interact. energy: 0.423
local terms energy: -58.794749
where:
bonds (distance) C4'-P energy: -11.260
bonds (distance) P-C4' energy: -17.976
flat angles C4'-P-C4' energy: -14.811
flat angles P-C4'-P energy: -3.688
tors. eta vs tors. theta energy: -11.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -296.710721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.710721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.710721 (E_RNA)
where:
Base-Base interactions energy: -198.526
where: short stacking energy: -81.443
Base-Backbone interact. energy: 0.234
local terms energy: -98.418416
where:
bonds (distance) C4'-P energy: -18.497
bonds (distance) P-C4' energy: -20.905
flat angles C4'-P-C4' energy: -21.929
flat angles P-C4'-P energy: -14.490
tors. eta vs tors. theta energy: -22.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -284.089181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.089181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.089181 (E_RNA)
where:
Base-Base interactions energy: -186.773
where: short stacking energy: -76.028
Base-Backbone interact. energy: -0.496
local terms energy: -96.819357
where:
bonds (distance) C4'-P energy: -18.980
bonds (distance) P-C4' energy: -21.821
flat angles C4'-P-C4' energy: -19.657
flat angles P-C4'-P energy: -12.021
tors. eta vs tors. theta energy: -24.340
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: 7
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -284.107490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.107490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.107490 (E_RNA)
where:
Base-Base interactions energy: -193.163
where: short stacking energy: -81.318
Base-Backbone interact. energy: -0.594
local terms energy: -90.350937
where:
bonds (distance) C4'-P energy: -16.465
bonds (distance) P-C4' energy: -16.556
flat angles C4'-P-C4' energy: -15.387
flat angles P-C4'-P energy: -14.669
tors. eta vs tors. theta energy: -27.274
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: 4, replica: 9
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -279.035785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.035785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.035785 (E_RNA)
where:
Base-Base interactions energy: -190.172
where: short stacking energy: -78.476
Base-Backbone interact. energy: -0.006
local terms energy: -88.857905
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -17.401
flat angles C4'-P-C4' energy: -16.863
flat angles P-C4'-P energy: -12.502
tors. eta vs tors. theta energy: -27.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -277.512456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.512456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.512456 (E_RNA)
where:
Base-Base interactions energy: -196.370
where: short stacking energy: -75.375
Base-Backbone interact. energy: -0.104
local terms energy: -81.038804
where:
bonds (distance) C4'-P energy: -13.144
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -15.408
flat angles P-C4'-P energy: -14.057
tors. eta vs tors. theta energy: -20.480
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: 1
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -273.275935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.275935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.275935 (E_RNA)
where:
Base-Base interactions energy: -183.495
where: short stacking energy: -78.358
Base-Backbone interact. energy: -0.887
local terms energy: -88.893612
where:
bonds (distance) C4'-P energy: -18.174
bonds (distance) P-C4' energy: -21.783
flat angles C4'-P-C4' energy: -15.976
flat angles P-C4'-P energy: -12.850
tors. eta vs tors. theta energy: -20.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -250.883731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.883731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.883731 (E_RNA)
where:
Base-Base interactions energy: -161.582
where: short stacking energy: -67.929
Base-Backbone interact. energy: -1.357
local terms energy: -87.944621
where:
bonds (distance) C4'-P energy: -21.089
bonds (distance) P-C4' energy: -19.203
flat angles C4'-P-C4' energy: -15.497
flat angles P-C4'-P energy: -9.609
tors. eta vs tors. theta energy: -22.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -178.433227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.433227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.433227 (E_RNA)
where:
Base-Base interactions energy: -116.071
where: short stacking energy: -45.656
Base-Backbone interact. energy: -1.378
local terms energy: -60.984750
where:
bonds (distance) C4'-P energy: -17.110
bonds (distance) P-C4' energy: -16.601
flat angles C4'-P-C4' energy: -13.208
flat angles P-C4'-P energy: -4.713
tors. eta vs tors. theta energy: -9.353
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: 8
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -89.303410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.303410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.303410 (E_RNA)
where:
Base-Base interactions energy: -26.321
where: short stacking energy: -26.321
Base-Backbone interact. energy: -0.059
local terms energy: -62.923994
where:
bonds (distance) C4'-P energy: -15.901
bonds (distance) P-C4' energy: -19.158
flat angles C4'-P-C4' energy: -17.910
flat angles P-C4'-P energy: -10.640
tors. eta vs tors. theta energy: 0.684
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: 6
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -83.852184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.852184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.852184 (E_RNA)
where:
Base-Base interactions energy: -25.615
where: short stacking energy: -24.587
Base-Backbone interact. energy: 2.035
local terms energy: -60.271622
where:
bonds (distance) C4'-P energy: -19.065
bonds (distance) P-C4' energy: -15.299
flat angles C4'-P-C4' energy: -14.585
flat angles P-C4'-P energy: -9.322
tors. eta vs tors. theta energy: -2.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -297.263256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.263256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.263256 (E_RNA)
where:
Base-Base interactions energy: -195.386
where: short stacking energy: -79.724
Base-Backbone interact. energy: -0.016
local terms energy: -101.861871
where:
bonds (distance) C4'-P energy: -18.593
bonds (distance) P-C4' energy: -17.544
flat angles C4'-P-C4' energy: -20.562
flat angles P-C4'-P energy: -17.795
tors. eta vs tors. theta energy: -27.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -287.816540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.816540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.816540 (E_RNA)
where:
Base-Base interactions energy: -198.953
where: short stacking energy: -77.793
Base-Backbone interact. energy: 0.696
local terms energy: -89.559606
where:
bonds (distance) C4'-P energy: -19.625
bonds (distance) P-C4' energy: -20.197
flat angles C4'-P-C4' energy: -17.768
flat angles P-C4'-P energy: -7.582
tors. eta vs tors. theta energy: -24.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -281.363899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.363899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.363899 (E_RNA)
where:
Base-Base interactions energy: -191.678
where: short stacking energy: -76.975
Base-Backbone interact. energy: -0.319
local terms energy: -89.366807
where:
bonds (distance) C4'-P energy: -21.162
bonds (distance) P-C4' energy: -19.126
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -8.856
tors. eta vs tors. theta energy: -24.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -284.358223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.358223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.358223 (E_RNA)
where:
Base-Base interactions energy: -193.760
where: short stacking energy: -78.987
Base-Backbone interact. energy: -0.730
local terms energy: -89.868795
where:
bonds (distance) C4'-P energy: -14.350
bonds (distance) P-C4' energy: -16.362
flat angles C4'-P-C4' energy: -21.712
flat angles P-C4'-P energy: -11.715
tors. eta vs tors. theta energy: -25.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -275.828122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.828122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.828122 (E_RNA)
where:
Base-Base interactions energy: -176.764
where: short stacking energy: -69.171
Base-Backbone interact. energy: -0.037
local terms energy: -99.026974
where:
bonds (distance) C4'-P energy: -17.098
bonds (distance) P-C4' energy: -22.473
flat angles C4'-P-C4' energy: -18.461
flat angles P-C4'-P energy: -16.885
tors. eta vs tors. theta energy: -24.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -263.422913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.422913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.422913 (E_RNA)
where:
Base-Base interactions energy: -178.951
where: short stacking energy: -79.408
Base-Backbone interact. energy: 0.331
local terms energy: -84.802693
where:
bonds (distance) C4'-P energy: -15.125
bonds (distance) P-C4' energy: -14.859
flat angles C4'-P-C4' energy: -17.757
flat angles P-C4'-P energy: -13.760
tors. eta vs tors. theta energy: -23.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -255.613541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.613541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.613541 (E_RNA)
where:
Base-Base interactions energy: -179.448
where: short stacking energy: -78.731
Base-Backbone interact. energy: -0.024
local terms energy: -76.141655
where:
bonds (distance) C4'-P energy: -11.050
bonds (distance) P-C4' energy: -20.200
flat angles C4'-P-C4' energy: -16.586
flat angles P-C4'-P energy: -5.744
tors. eta vs tors. theta energy: -22.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -155.460429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.460429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.460429 (E_RNA)
where:
Base-Base interactions energy: -96.477
where: short stacking energy: -43.051
Base-Backbone interact. energy: -0.531
local terms energy: -58.451728
where:
bonds (distance) C4'-P energy: -9.190
bonds (distance) P-C4' energy: -14.632
flat angles C4'-P-C4' energy: -12.044
flat angles P-C4'-P energy: -14.111
tors. eta vs tors. theta energy: -8.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -89.753309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.753309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.753309 (E_RNA)
where:
Base-Base interactions energy: -36.047
where: short stacking energy: -33.582
Base-Backbone interact. energy: 4.180
local terms energy: -57.886575
where:
bonds (distance) C4'-P energy: -12.724
bonds (distance) P-C4' energy: -15.410
flat angles C4'-P-C4' energy: -12.655
flat angles P-C4'-P energy: -13.495
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: 10, replica: 6
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -99.913092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.913092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.913092 (E_RNA)
where:
Base-Base interactions energy: -35.982
where: short stacking energy: -35.982
Base-Backbone interact. energy: 0.249
local terms energy: -64.180625
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -19.478
flat angles C4'-P-C4' energy: -16.449
flat angles P-C4'-P energy: -9.030
tors. eta vs tors. theta energy: -2.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -295.307779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.307779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.307779 (E_RNA)
where:
Base-Base interactions energy: -200.950
where: short stacking energy: -85.202
Base-Backbone interact. energy: -1.224
local terms energy: -93.133586
where:
bonds (distance) C4'-P energy: -17.971
bonds (distance) P-C4' energy: -16.959
flat angles C4'-P-C4' energy: -18.765
flat angles P-C4'-P energy: -14.026
tors. eta vs tors. theta energy: -25.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -291.837141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.837141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.837141 (E_RNA)
where:
Base-Base interactions energy: -207.574
where: short stacking energy: -78.060
Base-Backbone interact. energy: -0.145
local terms energy: -84.117959
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -18.239
flat angles C4'-P-C4' energy: -17.286
flat angles P-C4'-P energy: -14.441
tors. eta vs tors. theta energy: -20.062
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: 5
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -276.417298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.417298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.417298 (E_RNA)
where:
Base-Base interactions energy: -186.480
where: short stacking energy: -75.074
Base-Backbone interact. energy: -0.103
local terms energy: -89.834898
where:
bonds (distance) C4'-P energy: -14.738
bonds (distance) P-C4' energy: -17.235
flat angles C4'-P-C4' energy: -21.765
flat angles P-C4'-P energy: -13.919
tors. eta vs tors. theta energy: -22.178
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: 7
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -286.945883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.945883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.945883 (E_RNA)
where:
Base-Base interactions energy: -189.581
where: short stacking energy: -79.205
Base-Backbone interact. energy: -0.839
local terms energy: -96.525477
where:
bonds (distance) C4'-P energy: -17.666
bonds (distance) P-C4' energy: -20.234
flat angles C4'-P-C4' energy: -19.519
flat angles P-C4'-P energy: -10.393
tors. eta vs tors. theta energy: -28.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -263.054197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.054197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.054197 (E_RNA)
where:
Base-Base interactions energy: -182.492
where: short stacking energy: -79.627
Base-Backbone interact. energy: -1.393
local terms energy: -79.169351
where:
bonds (distance) C4'-P energy: -13.313
bonds (distance) P-C4' energy: -11.909
flat angles C4'-P-C4' energy: -17.482
flat angles P-C4'-P energy: -12.696
tors. eta vs tors. theta energy: -23.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -271.749494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.749494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.749494 (E_RNA)
where:
Base-Base interactions energy: -184.815
where: short stacking energy: -75.900
Base-Backbone interact. energy: -0.124
local terms energy: -86.809912
where:
bonds (distance) C4'-P energy: -16.377
bonds (distance) P-C4' energy: -17.602
flat angles C4'-P-C4' energy: -16.374
flat angles P-C4'-P energy: -15.180
tors. eta vs tors. theta energy: -21.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -178.863629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.863629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.863629 (E_RNA)
where:
Base-Base interactions energy: -102.745
where: short stacking energy: -43.546
Base-Backbone interact. energy: -0.184
local terms energy: -75.934793
where:
bonds (distance) C4'-P energy: -19.705
bonds (distance) P-C4' energy: -19.657
flat angles C4'-P-C4' energy: -17.118
flat angles P-C4'-P energy: -9.228
tors. eta vs tors. theta energy: -10.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -160.101830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.101830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.101830 (E_RNA)
where:
Base-Base interactions energy: -96.444
where: short stacking energy: -40.274
Base-Backbone interact. energy: 0.000
local terms energy: -63.658105
where:
bonds (distance) C4'-P energy: -16.190
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -11.170
flat angles P-C4'-P energy: -7.916
tors. eta vs tors. theta energy: -11.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -96.360557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.360557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.360557 (E_RNA)
where:
Base-Base interactions energy: -37.460
where: short stacking energy: -18.470
Base-Backbone interact. energy: 0.256
local terms energy: -59.157080
where:
bonds (distance) C4'-P energy: -12.163
bonds (distance) P-C4' energy: -18.309
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -10.363
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: 6
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -92.886480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.886480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.886480 (E_RNA)
where:
Base-Base interactions energy: -30.880
where: short stacking energy: -28.057
Base-Backbone interact. energy: -0.170
local terms energy: -61.835824
where:
bonds (distance) C4'-P energy: -18.559
bonds (distance) P-C4' energy: -8.777
flat angles C4'-P-C4' energy: -16.212
flat angles P-C4'-P energy: -15.432
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: 1, replica: 2
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -294.650049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.650049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.650049 (E_RNA)
where:
Base-Base interactions energy: -196.487
where: short stacking energy: -84.421
Base-Backbone interact. energy: -1.020
local terms energy: -97.142682
where:
bonds (distance) C4'-P energy: -16.200
bonds (distance) P-C4' energy: -17.409
flat angles C4'-P-C4' energy: -19.067
flat angles P-C4'-P energy: -17.147
tors. eta vs tors. theta energy: -27.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -287.061590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.061590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.061590 (E_RNA)
where:
Base-Base interactions energy: -188.557
where: short stacking energy: -80.029
Base-Backbone interact. energy: -0.126
local terms energy: -98.379030
where:
bonds (distance) C4'-P energy: -18.953
bonds (distance) P-C4' energy: -18.818
flat angles C4'-P-C4' energy: -22.231
flat angles P-C4'-P energy: -17.298
tors. eta vs tors. theta energy: -21.078
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: 3
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -291.453398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.453398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.453398 (E_RNA)
where:
Base-Base interactions energy: -202.324
where: short stacking energy: -83.178
Base-Backbone interact. energy: -0.060
local terms energy: -89.069501
where:
bonds (distance) C4'-P energy: -11.783
bonds (distance) P-C4' energy: -17.816
flat angles C4'-P-C4' energy: -19.262
flat angles P-C4'-P energy: -14.026
tors. eta vs tors. theta energy: -26.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -273.566095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.566095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.566095 (E_RNA)
where:
Base-Base interactions energy: -188.076
where: short stacking energy: -75.368
Base-Backbone interact. energy: -0.245
local terms energy: -85.244406
where:
bonds (distance) C4'-P energy: -15.624
bonds (distance) P-C4' energy: -11.764
flat angles C4'-P-C4' energy: -18.909
flat angles P-C4'-P energy: -14.860
tors. eta vs tors. theta energy: -24.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -270.765549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.765549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.765549 (E_RNA)
where:
Base-Base interactions energy: -179.903
where: short stacking energy: -71.562
Base-Backbone interact. energy: -1.148
local terms energy: -89.714574
where:
bonds (distance) C4'-P energy: -16.833
bonds (distance) P-C4' energy: -18.314
flat angles C4'-P-C4' energy: -16.954
flat angles P-C4'-P energy: -12.751
tors. eta vs tors. theta energy: -24.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 191
Temperature: 1.150000
Total energy: -265.692251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.692251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.692251 (E_RNA)
where:
Base-Base interactions energy: -186.691
where: short stacking energy: -68.749
Base-Backbone interact. energy: -0.632
local terms energy: -78.368988
where:
bonds (distance) C4'-P energy: -12.716
bonds (distance) P-C4' energy: -17.214
flat angles C4'-P-C4' energy: -18.251
flat angles P-C4'-P energy: -10.701
tors. eta vs tors. theta energy: -19.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -186.782759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.782759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.782759 (E_RNA)
where:
Base-Base interactions energy: -110.831
where: short stacking energy: -63.252
Base-Backbone interact. energy: -0.085
local terms energy: -75.866343
where:
bonds (distance) C4'-P energy: -18.089
bonds (distance) P-C4' energy: -13.670
flat angles C4'-P-C4' energy: -17.804
flat angles P-C4'-P energy: -10.207
tors. eta vs tors. theta energy: -16.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -154.263518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.263518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.263518 (E_RNA)
where:
Base-Base interactions energy: -88.595
where: short stacking energy: -28.750
Base-Backbone interact. energy: -0.473
local terms energy: -65.195246
where:
bonds (distance) C4'-P energy: -17.648
bonds (distance) P-C4' energy: -16.028
flat angles C4'-P-C4' energy: -12.887
flat angles P-C4'-P energy: -15.767
tors. eta vs tors. theta energy: -2.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -104.120539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.120539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.120539 (E_RNA)
where:
Base-Base interactions energy: -42.342
where: short stacking energy: -37.449
Base-Backbone interact. energy: -0.126
local terms energy: -61.652524
where:
bonds (distance) C4'-P energy: -14.989
bonds (distance) P-C4' energy: -19.542
flat angles C4'-P-C4' energy: -16.658
flat angles P-C4'-P energy: -6.067
tors. eta vs tors. theta energy: -4.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -88.279805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.279805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.279805 (E_RNA)
where:
Base-Base interactions energy: -30.386
where: short stacking energy: -30.386
Base-Backbone interact. energy: 0.118
local terms energy: -58.012428
where:
bonds (distance) C4'-P energy: -15.045
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -10.271
flat angles P-C4'-P energy: -8.217
tors. eta vs tors. theta energy: -9.626
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: 2
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -290.316561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.316561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.316561 (E_RNA)
where:
Base-Base interactions energy: -196.212
where: short stacking energy: -87.541
Base-Backbone interact. energy: -0.003
local terms energy: -94.101583
where:
bonds (distance) C4'-P energy: -18.356
bonds (distance) P-C4' energy: -20.816
flat angles C4'-P-C4' energy: -18.704
flat angles P-C4'-P energy: -9.490
tors. eta vs tors. theta energy: -26.736
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: 5
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -279.916716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.916716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.916716 (E_RNA)
where:
Base-Base interactions energy: -186.244
where: short stacking energy: -85.494
Base-Backbone interact. energy: -1.760
local terms energy: -91.913104
where:
bonds (distance) C4'-P energy: -17.554
bonds (distance) P-C4' energy: -16.289
flat angles C4'-P-C4' energy: -17.448
flat angles P-C4'-P energy: -14.757
tors. eta vs tors. theta energy: -25.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -272.195118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.195118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.195118 (E_RNA)
where:
Base-Base interactions energy: -183.980
where: short stacking energy: -62.229
Base-Backbone interact. energy: -1.248
local terms energy: -86.967063
where:
bonds (distance) C4'-P energy: -19.982
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -20.736
flat angles P-C4'-P energy: -13.535
tors. eta vs tors. theta energy: -15.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -283.651424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.651424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.651424 (E_RNA)
where:
Base-Base interactions energy: -187.236
where: short stacking energy: -75.087
Base-Backbone interact. energy: -0.710
local terms energy: -95.705356
where:
bonds (distance) C4'-P energy: -19.879
bonds (distance) P-C4' energy: -18.128
flat angles C4'-P-C4' energy: -21.734
flat angles P-C4'-P energy: -11.404
tors. eta vs tors. theta energy: -24.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -271.730452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.730452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.730452 (E_RNA)
where:
Base-Base interactions energy: -184.694
where: short stacking energy: -80.336
Base-Backbone interact. energy: -0.084
local terms energy: -86.952720
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -17.385
flat angles P-C4'-P energy: -15.331
tors. eta vs tors. theta energy: -23.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 192
Temperature: 1.150000
Total energy: -255.891985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.891985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.891985 (E_RNA)
where:
Base-Base interactions energy: -177.094
where: short stacking energy: -73.435
Base-Backbone interact. energy: -0.333
local terms energy: -78.464368
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -12.785
flat angles C4'-P-C4' energy: -15.703
flat angles P-C4'-P energy: -14.743
tors. eta vs tors. theta energy: -22.874
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: 1
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -182.955110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.955110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.955110 (E_RNA)
where:
Base-Base interactions energy: -112.564
where: short stacking energy: -54.724
Base-Backbone interact. energy: -1.727
local terms energy: -68.664549
where:
bonds (distance) C4'-P energy: -14.606
bonds (distance) P-C4' energy: -12.802
flat angles C4'-P-C4' energy: -16.619
flat angles P-C4'-P energy: -13.713
tors. eta vs tors. theta energy: -10.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -148.652459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.652459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.652459 (E_RNA)
where:
Base-Base interactions energy: -80.618
where: short stacking energy: -38.908
Base-Backbone interact. energy: -0.140
local terms energy: -67.894140
where:
bonds (distance) C4'-P energy: -18.450
bonds (distance) P-C4' energy: -15.123
flat angles C4'-P-C4' energy: -18.512
flat angles P-C4'-P energy: -14.171
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: 9, replica: 6
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -109.980095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.980095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.980095 (E_RNA)
where:
Base-Base interactions energy: -45.493
where: short stacking energy: -38.155
Base-Backbone interact. energy: -0.278
local terms energy: -64.209010
where:
bonds (distance) C4'-P energy: -11.658
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -18.155
flat angles P-C4'-P energy: -14.171
tors. eta vs tors. theta energy: -2.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -95.233218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.233218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.233218 (E_RNA)
where:
Base-Base interactions energy: -31.613
where: short stacking energy: -19.908
Base-Backbone interact. energy: 0.821
local terms energy: -64.441176
where:
bonds (distance) C4'-P energy: -19.076
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -13.808
flat angles P-C4'-P energy: -8.715
tors. eta vs tors. theta energy: -5.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -289.099466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.099466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.099466 (E_RNA)
where:
Base-Base interactions energy: -195.263
where: short stacking energy: -84.393
Base-Backbone interact. energy: -0.005
local terms energy: -93.831275
where:
bonds (distance) C4'-P energy: -15.181
bonds (distance) P-C4' energy: -18.488
flat angles C4'-P-C4' energy: -20.192
flat angles P-C4'-P energy: -14.590
tors. eta vs tors. theta energy: -25.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -292.363727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.363727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.363727 (E_RNA)
where:
Base-Base interactions energy: -194.279
where: short stacking energy: -84.704
Base-Backbone interact. energy: -0.011
local terms energy: -98.073345
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -19.428
flat angles C4'-P-C4' energy: -18.699
flat angles P-C4'-P energy: -13.808
tors. eta vs tors. theta energy: -29.263
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: 7
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -282.874339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.874339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.874339 (E_RNA)
where:
Base-Base interactions energy: -197.961
where: short stacking energy: -76.928
Base-Backbone interact. energy: 0.605
local terms energy: -85.518408
where:
bonds (distance) C4'-P energy: -19.045
bonds (distance) P-C4' energy: -12.772
flat angles C4'-P-C4' energy: -19.990
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -22.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -281.142599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.142599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.142599 (E_RNA)
where:
Base-Base interactions energy: -189.196
where: short stacking energy: -72.796
Base-Backbone interact. energy: -1.255
local terms energy: -90.691300
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -18.306
flat angles P-C4'-P energy: -14.199
tors. eta vs tors. theta energy: -24.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -271.742534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.742534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.742534 (E_RNA)
where:
Base-Base interactions energy: -184.937
where: short stacking energy: -73.602
Base-Backbone interact. energy: -2.260
local terms energy: -84.545393
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -16.338
flat angles C4'-P-C4' energy: -15.207
flat angles P-C4'-P energy: -12.559
tors. eta vs tors. theta energy: -25.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -280.852002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.852002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.852002 (E_RNA)
where:
Base-Base interactions energy: -185.902
where: short stacking energy: -80.263
Base-Backbone interact. energy: -0.117
local terms energy: -94.833474
where:
bonds (distance) C4'-P energy: -16.220
bonds (distance) P-C4' energy: -18.765
flat angles C4'-P-C4' energy: -21.499
flat angles P-C4'-P energy: -12.711
tors. eta vs tors. theta energy: -25.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -179.218296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.218296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.218296 (E_RNA)
where:
Base-Base interactions energy: -106.854
where: short stacking energy: -58.004
Base-Backbone interact. energy: -0.617
local terms energy: -71.747043
where:
bonds (distance) C4'-P energy: -12.292
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -17.060
flat angles P-C4'-P energy: -11.203
tors. eta vs tors. theta energy: -15.396
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: 8, replica: 6
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -90.527719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.527719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.527719 (E_RNA)
where:
Base-Base interactions energy: -38.491
where: short stacking energy: -34.616
Base-Backbone interact. energy: -1.001
local terms energy: -51.035016
where:
bonds (distance) C4'-P energy: -11.509
bonds (distance) P-C4' energy: -16.951
flat angles C4'-P-C4' energy: -7.986
flat angles P-C4'-P energy: -11.923
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: 9, replica: 10
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -150.897932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.897932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.897932 (E_RNA)
where:
Base-Base interactions energy: -87.843
where: short stacking energy: -37.602
Base-Backbone interact. energy: 0.882
local terms energy: -63.936339
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -16.799
flat angles P-C4'-P energy: -9.838
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: 10, replica: 8
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -89.985827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.985827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.985827 (E_RNA)
where:
Base-Base interactions energy: -45.600
where: short stacking energy: -29.507
Base-Backbone interact. energy: -0.292
local terms energy: -44.093692
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -9.694
flat angles C4'-P-C4' energy: -12.157
flat angles P-C4'-P energy: -7.143
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: 1, replica: 2
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -291.367178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.367178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.367178 (E_RNA)
where:
Base-Base interactions energy: -198.685
where: short stacking energy: -82.211
Base-Backbone interact. energy: -0.507
local terms energy: -92.175417
where:
bonds (distance) C4'-P energy: -16.604
bonds (distance) P-C4' energy: -18.163
flat angles C4'-P-C4' energy: -21.178
flat angles P-C4'-P energy: -12.798
tors. eta vs tors. theta energy: -23.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -282.229990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.229990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.229990 (E_RNA)
where:
Base-Base interactions energy: -191.330
where: short stacking energy: -78.905
Base-Backbone interact. energy: -1.385
local terms energy: -89.515365
where:
bonds (distance) C4'-P energy: -13.426
bonds (distance) P-C4' energy: -17.477
flat angles C4'-P-C4' energy: -22.152
flat angles P-C4'-P energy: -10.974
tors. eta vs tors. theta energy: -25.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -283.960853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.960853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.960853 (E_RNA)
where:
Base-Base interactions energy: -190.518
where: short stacking energy: -74.368
Base-Backbone interact. energy: -0.637
local terms energy: -92.805547
where:
bonds (distance) C4'-P energy: -16.794
bonds (distance) P-C4' energy: -18.576
flat angles C4'-P-C4' energy: -16.675
flat angles P-C4'-P energy: -16.070
tors. eta vs tors. theta energy: -24.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -285.268762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.268762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.268762 (E_RNA)
where:
Base-Base interactions energy: -188.464
where: short stacking energy: -82.051
Base-Backbone interact. energy: -0.294
local terms energy: -96.511064
where:
bonds (distance) C4'-P energy: -14.900
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -19.606
flat angles P-C4'-P energy: -16.299
tors. eta vs tors. theta energy: -27.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -253.244352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.244352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.244352 (E_RNA)
where:
Base-Base interactions energy: -172.516
where: short stacking energy: -71.363
Base-Backbone interact. energy: -0.139
local terms energy: -80.588921
where:
bonds (distance) C4'-P energy: -15.852
bonds (distance) P-C4' energy: -14.348
flat angles C4'-P-C4' energy: -15.015
flat angles P-C4'-P energy: -12.214
tors. eta vs tors. theta energy: -23.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 194
Temperature: 1.150000
Total energy: -247.552125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.552125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.552125 (E_RNA)
where:
Base-Base interactions energy: -161.688
where: short stacking energy: -60.792
Base-Backbone interact. energy: -0.002
local terms energy: -85.862155
where:
bonds (distance) C4'-P energy: -15.881
bonds (distance) P-C4' energy: -17.797
flat angles C4'-P-C4' energy: -19.718
flat angles P-C4'-P energy: -12.498
tors. eta vs tors. theta energy: -19.967
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: 1
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -195.680151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.680151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.680151 (E_RNA)
where:
Base-Base interactions energy: -121.133
where: short stacking energy: -58.480
Base-Backbone interact. energy: -0.325
local terms energy: -74.222606
where:
bonds (distance) C4'-P energy: -15.644
bonds (distance) P-C4' energy: -12.231
flat angles C4'-P-C4' energy: -22.299
flat angles P-C4'-P energy: -11.498
tors. eta vs tors. theta energy: -12.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -103.614764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.614764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.614764 (E_RNA)
where:
Base-Base interactions energy: -40.281
where: short stacking energy: -23.113
Base-Backbone interact. energy: -0.158
local terms energy: -63.175774
where:
bonds (distance) C4'-P energy: -19.483
bonds (distance) P-C4' energy: -18.381
flat angles C4'-P-C4' energy: -14.806
flat angles P-C4'-P energy: -9.076
tors. eta vs tors. theta energy: -1.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -91.922922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.922922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.922922 (E_RNA)
where:
Base-Base interactions energy: -38.141
where: short stacking energy: -36.908
Base-Backbone interact. energy: -0.031
local terms energy: -53.751608
where:
bonds (distance) C4'-P energy: -17.537
bonds (distance) P-C4' energy: -16.670
flat angles C4'-P-C4' energy: -9.500
flat angles P-C4'-P energy: -7.138
tors. eta vs tors. theta energy: -2.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -141.086230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.086230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.086230 (E_RNA)
where:
Base-Base interactions energy: -72.557
where: short stacking energy: -34.726
Base-Backbone interact. energy: -0.157
local terms energy: -68.372520
where:
bonds (distance) C4'-P energy: -19.193
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -17.737
flat angles P-C4'-P energy: -9.395
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: 1, replica: 2
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -297.833364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.833364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.833364 (E_RNA)
where:
Base-Base interactions energy: -199.977
where: short stacking energy: -79.502
Base-Backbone interact. energy: -0.537
local terms energy: -97.319667
where:
bonds (distance) C4'-P energy: -20.389
bonds (distance) P-C4' energy: -16.857
flat angles C4'-P-C4' energy: -17.763
flat angles P-C4'-P energy: -16.715
tors. eta vs tors. theta energy: -25.595
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: 4
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -288.715666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.715666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.715666 (E_RNA)
where:
Base-Base interactions energy: -190.553
where: short stacking energy: -81.944
Base-Backbone interact. energy: -0.577
local terms energy: -97.586185
where:
bonds (distance) C4'-P energy: -19.006
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -22.738
flat angles P-C4'-P energy: -9.993
tors. eta vs tors. theta energy: -28.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -282.169953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.169953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.169953 (E_RNA)
where:
Base-Base interactions energy: -188.253
where: short stacking energy: -67.168
Base-Backbone interact. energy: -0.233
local terms energy: -93.684396
where:
bonds (distance) C4'-P energy: -17.027
bonds (distance) P-C4' energy: -17.866
flat angles C4'-P-C4' energy: -18.751
flat angles P-C4'-P energy: -16.094
tors. eta vs tors. theta energy: -23.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -279.068795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.068795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.068795 (E_RNA)
where:
Base-Base interactions energy: -189.177
where: short stacking energy: -77.544
Base-Backbone interact. energy: -2.739
local terms energy: -87.152026
where:
bonds (distance) C4'-P energy: -14.440
bonds (distance) P-C4' energy: -15.682
flat angles C4'-P-C4' energy: -19.660
flat angles P-C4'-P energy: -13.849
tors. eta vs tors. theta energy: -23.522
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: 3
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -271.006730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.006730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.006730 (E_RNA)
where:
Base-Base interactions energy: -183.984
where: short stacking energy: -76.315
Base-Backbone interact. energy: -0.199
local terms energy: -86.823917
where:
bonds (distance) C4'-P energy: -16.117
bonds (distance) P-C4' energy: -17.711
flat angles C4'-P-C4' energy: -16.441
flat angles P-C4'-P energy: -11.474
tors. eta vs tors. theta energy: -25.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -251.766172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.766172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.766172 (E_RNA)
where:
Base-Base interactions energy: -176.242
where: short stacking energy: -71.332
Base-Backbone interact. energy: -0.073
local terms energy: -75.451002
where:
bonds (distance) C4'-P energy: -11.195
bonds (distance) P-C4' energy: -11.920
flat angles C4'-P-C4' energy: -18.830
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -22.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -243.293216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.293216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.293216 (E_RNA)
where:
Base-Base interactions energy: -165.170
where: short stacking energy: -66.881
Base-Backbone interact. energy: -0.411
local terms energy: -77.712427
where:
bonds (distance) C4'-P energy: -16.664
bonds (distance) P-C4' energy: -12.470
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -11.863
tors. eta vs tors. theta energy: -22.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -100.987259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.987259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.987259 (E_RNA)
where:
Base-Base interactions energy: -32.245
where: short stacking energy: -32.245
Base-Backbone interact. energy: -0.130
local terms energy: -68.612387
where:
bonds (distance) C4'-P energy: -17.209
bonds (distance) P-C4' energy: -16.744
flat angles C4'-P-C4' energy: -17.872
flat angles P-C4'-P energy: -8.917
tors. eta vs tors. theta energy: -7.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -90.069019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.069019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.069019 (E_RNA)
where:
Base-Base interactions energy: -27.324
where: short stacking energy: -26.118
Base-Backbone interact. energy: 0.755
local terms energy: -63.499428
where:
bonds (distance) C4'-P energy: -17.598
bonds (distance) P-C4' energy: -20.171
flat angles C4'-P-C4' energy: -17.134
flat angles P-C4'-P energy: -10.349
tors. eta vs tors. theta energy: 1.752
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: 10, replica: 10
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -95.392481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.392481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.392481 (E_RNA)
where:
Base-Base interactions energy: -46.061
where: short stacking energy: -32.669
Base-Backbone interact. energy: -0.002
local terms energy: -49.329077
where:
bonds (distance) C4'-P energy: -12.280
bonds (distance) P-C4' energy: -12.157
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -7.233
tors. eta vs tors. theta energy: -2.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -292.096154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.096154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.096154 (E_RNA)
where:
Base-Base interactions energy: -196.311
where: short stacking energy: -72.829
Base-Backbone interact. energy: -0.191
local terms energy: -95.593539
where:
bonds (distance) C4'-P energy: -21.121
bonds (distance) P-C4' energy: -17.668
flat angles C4'-P-C4' energy: -20.685
flat angles P-C4'-P energy: -15.467
tors. eta vs tors. theta energy: -20.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 196
Temperature: 0.950000
Total energy: -287.260665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.260665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.260665 (E_RNA)
where:
Base-Base interactions energy: -193.317
where: short stacking energy: -75.504
Base-Backbone interact. energy: -0.180
local terms energy: -93.763423
where:
bonds (distance) C4'-P energy: -16.137
bonds (distance) P-C4' energy: -20.810
flat angles C4'-P-C4' energy: -18.286
flat angles P-C4'-P energy: -12.145
tors. eta vs tors. theta energy: -26.385
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: 5
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -285.505310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.505310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.505310 (E_RNA)
where:
Base-Base interactions energy: -194.195
where: short stacking energy: -81.613
Base-Backbone interact. energy: -1.364
local terms energy: -89.946909
where:
bonds (distance) C4'-P energy: -18.610
bonds (distance) P-C4' energy: -10.478
flat angles C4'-P-C4' energy: -19.968
flat angles P-C4'-P energy: -16.552
tors. eta vs tors. theta energy: -24.340
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: 196
Temperature: 1.050000
Total energy: -277.971320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.971320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.971320 (E_RNA)
where:
Base-Base interactions energy: -185.548
where: short stacking energy: -78.108
Base-Backbone interact. energy: -0.746
local terms energy: -91.677854
where:
bonds (distance) C4'-P energy: -14.725
bonds (distance) P-C4' energy: -19.537
flat angles C4'-P-C4' energy: -21.725
flat angles P-C4'-P energy: -10.018
tors. eta vs tors. theta energy: -25.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -285.419623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.419623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.419623 (E_RNA)
where:
Base-Base interactions energy: -185.765
where: short stacking energy: -83.999
Base-Backbone interact. energy: -0.282
local terms energy: -99.372234
where:
bonds (distance) C4'-P energy: -21.470
bonds (distance) P-C4' energy: -18.608
flat angles C4'-P-C4' energy: -19.559
flat angles P-C4'-P energy: -11.852
tors. eta vs tors. theta energy: -27.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -262.791029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.791029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.791029 (E_RNA)
where:
Base-Base interactions energy: -181.574
where: short stacking energy: -69.826
Base-Backbone interact. energy: -0.615
local terms energy: -80.602585
where:
bonds (distance) C4'-P energy: -18.363
bonds (distance) P-C4' energy: -14.634
flat angles C4'-P-C4' energy: -17.217
flat angles P-C4'-P energy: -8.984
tors. eta vs tors. theta energy: -21.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -269.079375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.079375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.079375 (E_RNA)
where:
Base-Base interactions energy: -190.917
where: short stacking energy: -75.736
Base-Backbone interact. energy: -0.176
local terms energy: -77.986353
where:
bonds (distance) C4'-P energy: -13.383
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -17.379
flat angles P-C4'-P energy: -7.149
tors. eta vs tors. theta energy: -23.081
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: 196
Temperature: 1.250000
Total energy: -99.005324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.005324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.005324 (E_RNA)
where:
Base-Base interactions energy: -31.033
where: short stacking energy: -31.033
Base-Backbone interact. energy: -0.149
local terms energy: -67.823384
where:
bonds (distance) C4'-P energy: -18.952
bonds (distance) P-C4' energy: -19.013
flat angles C4'-P-C4' energy: -13.309
flat angles P-C4'-P energy: -10.656
tors. eta vs tors. theta energy: -5.894
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: 10
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -98.423750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.423750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.423750 (E_RNA)
where:
Base-Base interactions energy: -45.778
where: short stacking energy: -43.165
Base-Backbone interact. energy: 0.029
local terms energy: -52.675052
where:
bonds (distance) C4'-P energy: -11.015
bonds (distance) P-C4' energy: -15.255
flat angles C4'-P-C4' energy: -14.976
flat angles P-C4'-P energy: -6.763
tors. eta vs tors. theta energy: -4.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -88.544381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.544381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.544381 (E_RNA)
where:
Base-Base interactions energy: -35.561
where: short stacking energy: -32.549
Base-Backbone interact. energy: -0.389
local terms energy: -52.594423
where:
bonds (distance) C4'-P energy: -9.489
bonds (distance) P-C4' energy: -18.470
flat angles C4'-P-C4' energy: -15.015
flat angles P-C4'-P energy: -9.544
tors. eta vs tors. theta energy: -0.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -293.764262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.764262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.764262 (E_RNA)
where:
Base-Base interactions energy: -195.973
where: short stacking energy: -76.731
Base-Backbone interact. energy: -0.190
local terms energy: -97.600974
where:
bonds (distance) C4'-P energy: -18.176
bonds (distance) P-C4' energy: -20.420
flat angles C4'-P-C4' energy: -20.233
flat angles P-C4'-P energy: -16.249
tors. eta vs tors. theta energy: -22.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -286.916832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.916832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.916832 (E_RNA)
where:
Base-Base interactions energy: -192.679
where: short stacking energy: -80.161
Base-Backbone interact. energy: -0.724
local terms energy: -93.514291
where:
bonds (distance) C4'-P energy: -13.386
bonds (distance) P-C4' energy: -20.242
flat angles C4'-P-C4' energy: -20.445
flat angles P-C4'-P energy: -15.532
tors. eta vs tors. theta energy: -23.909
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: 4
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -287.778383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.778383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.778383 (E_RNA)
where:
Base-Base interactions energy: -195.274
where: short stacking energy: -82.198
Base-Backbone interact. energy: -0.809
local terms energy: -91.695357
where:
bonds (distance) C4'-P energy: -17.745
bonds (distance) P-C4' energy: -12.759
flat angles C4'-P-C4' energy: -18.677
flat angles P-C4'-P energy: -14.623
tors. eta vs tors. theta energy: -27.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -272.504337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.504337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.504337 (E_RNA)
where:
Base-Base interactions energy: -192.569
where: short stacking energy: -74.503
Base-Backbone interact. energy: -0.040
local terms energy: -79.895338
where:
bonds (distance) C4'-P energy: -10.308
bonds (distance) P-C4' energy: -13.964
flat angles C4'-P-C4' energy: -17.813
flat angles P-C4'-P energy: -11.960
tors. eta vs tors. theta energy: -25.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -270.461023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.461023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.461023 (E_RNA)
where:
Base-Base interactions energy: -182.111
where: short stacking energy: -68.184
Base-Backbone interact. energy: -0.043
local terms energy: -88.307185
where:
bonds (distance) C4'-P energy: -17.420
bonds (distance) P-C4' energy: -16.868
flat angles C4'-P-C4' energy: -17.470
flat angles P-C4'-P energy: -12.912
tors. eta vs tors. theta energy: -23.637
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: 9
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -264.340211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.340211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.340211 (E_RNA)
where:
Base-Base interactions energy: -186.965
where: short stacking energy: -74.149
Base-Backbone interact. energy: -0.039
local terms energy: -77.335815
where:
bonds (distance) C4'-P energy: -15.372
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -11.695
flat angles P-C4'-P energy: -13.623
tors. eta vs tors. theta energy: -21.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -264.767241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.767241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.767241 (E_RNA)
where:
Base-Base interactions energy: -172.759
where: short stacking energy: -77.897
Base-Backbone interact. energy: -1.081
local terms energy: -90.927244
where:
bonds (distance) C4'-P energy: -19.298
bonds (distance) P-C4' energy: -16.993
flat angles C4'-P-C4' energy: -17.800
flat angles P-C4'-P energy: -12.648
tors. eta vs tors. theta energy: -24.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -93.151686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.151686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.151686 (E_RNA)
where:
Base-Base interactions energy: -34.931
where: short stacking energy: -23.123
Base-Backbone interact. energy: -0.381
local terms energy: -57.840481
where:
bonds (distance) C4'-P energy: -21.052
bonds (distance) P-C4' energy: -17.694
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -11.211
tors. eta vs tors. theta energy: 7.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -92.403605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.403605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.403605 (E_RNA)
where:
Base-Base interactions energy: -41.321
where: short stacking energy: -20.773
Base-Backbone interact. energy: 0.805
local terms energy: -51.887590
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -11.371
flat angles C4'-P-C4' energy: -11.837
flat angles P-C4'-P energy: -13.194
tors. eta vs tors. theta energy: -2.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -83.167169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.167169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.167169 (E_RNA)
where:
Base-Base interactions energy: -27.033
where: short stacking energy: -15.718
Base-Backbone interact. energy: -0.204
local terms energy: -55.930264
where:
bonds (distance) C4'-P energy: -16.228
bonds (distance) P-C4' energy: -13.216
flat angles C4'-P-C4' energy: -14.919
flat angles P-C4'-P energy: -8.577
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: 1, replica: 5
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -291.311539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.311539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.311539 (E_RNA)
where:
Base-Base interactions energy: -196.163
where: short stacking energy: -81.108
Base-Backbone interact. energy: -1.075
local terms energy: -94.073640
where:
bonds (distance) C4'-P energy: -19.881
bonds (distance) P-C4' energy: -19.123
flat angles C4'-P-C4' energy: -16.665
flat angles P-C4'-P energy: -13.420
tors. eta vs tors. theta energy: -24.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -283.918474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.918474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.918474 (E_RNA)
where:
Base-Base interactions energy: -188.136
where: short stacking energy: -84.077
Base-Backbone interact. energy: 1.201
local terms energy: -96.982980
where:
bonds (distance) C4'-P energy: -19.441
bonds (distance) P-C4' energy: -17.646
flat angles C4'-P-C4' energy: -20.646
flat angles P-C4'-P energy: -12.604
tors. eta vs tors. theta energy: -26.646
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: 198
Temperature: 1.000000
Total energy: -283.704107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.704107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.704107 (E_RNA)
where:
Base-Base interactions energy: -184.928
where: short stacking energy: -79.022
Base-Backbone interact. energy: -1.561
local terms energy: -97.214114
where:
bonds (distance) C4'-P energy: -15.106
bonds (distance) P-C4' energy: -21.909
flat angles C4'-P-C4' energy: -22.150
flat angles P-C4'-P energy: -13.102
tors. eta vs tors. theta energy: -24.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -282.733525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.733525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.733525 (E_RNA)
where:
Base-Base interactions energy: -191.961
where: short stacking energy: -85.978
Base-Backbone interact. energy: -0.427
local terms energy: -90.344752
where:
bonds (distance) C4'-P energy: -19.214
bonds (distance) P-C4' energy: -11.417
flat angles C4'-P-C4' energy: -20.506
flat angles P-C4'-P energy: -10.267
tors. eta vs tors. theta energy: -28.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -261.768425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.768425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.768425 (E_RNA)
where:
Base-Base interactions energy: -169.325
where: short stacking energy: -76.736
Base-Backbone interact. energy: -0.022
local terms energy: -92.421555
where:
bonds (distance) C4'-P energy: -16.872
bonds (distance) P-C4' energy: -19.788
flat angles C4'-P-C4' energy: -14.658
flat angles P-C4'-P energy: -16.631
tors. eta vs tors. theta energy: -24.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -269.317803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.317803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.317803 (E_RNA)
where:
Base-Base interactions energy: -180.221
where: short stacking energy: -69.389
Base-Backbone interact. energy: -0.433
local terms energy: -88.663273
where:
bonds (distance) C4'-P energy: -17.209
bonds (distance) P-C4' energy: -18.199
flat angles C4'-P-C4' energy: -20.212
flat angles P-C4'-P energy: -14.331
tors. eta vs tors. theta energy: -18.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -264.692679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.692679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.692679 (E_RNA)
where:
Base-Base interactions energy: -173.734
where: short stacking energy: -76.807
Base-Backbone interact. energy: -0.023
local terms energy: -90.935543
where:
bonds (distance) C4'-P energy: -16.560
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -19.034
flat angles P-C4'-P energy: -11.647
tors. eta vs tors. theta energy: -26.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -96.086581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.086581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.086581 (E_RNA)
where:
Base-Base interactions energy: -42.675
where: short stacking energy: -41.484
Base-Backbone interact. energy: -0.119
local terms energy: -53.293366
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -15.929
flat angles C4'-P-C4' energy: -15.829
flat angles P-C4'-P energy: -7.387
tors. eta vs tors. theta energy: -0.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -109.151123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.151123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.151123 (E_RNA)
where:
Base-Base interactions energy: -50.541
where: short stacking energy: -37.709
Base-Backbone interact. energy: -0.250
local terms energy: -58.359707
where:
bonds (distance) C4'-P energy: -17.106
bonds (distance) P-C4' energy: -18.956
flat angles C4'-P-C4' energy: -11.508
flat angles P-C4'-P energy: -6.637
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: 10, replica: 10
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -85.982474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.982474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.982474 (E_RNA)
where:
Base-Base interactions energy: -30.065
where: short stacking energy: -27.019
Base-Backbone interact. energy: -0.489
local terms energy: -55.427961
where:
bonds (distance) C4'-P energy: -12.556
bonds (distance) P-C4' energy: -12.322
flat angles C4'-P-C4' energy: -14.900
flat angles P-C4'-P energy: -12.709
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: 1, replica: 5
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -294.557217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.557217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.557217 (E_RNA)
where:
Base-Base interactions energy: -201.952
where: short stacking energy: -88.858
Base-Backbone interact. energy: -0.103
local terms energy: -92.502732
where:
bonds (distance) C4'-P energy: -19.607
bonds (distance) P-C4' energy: -16.992
flat angles C4'-P-C4' energy: -22.199
flat angles P-C4'-P energy: -9.262
tors. eta vs tors. theta energy: -24.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -283.908297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.908297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.908297 (E_RNA)
where:
Base-Base interactions energy: -197.923
where: short stacking energy: -72.389
Base-Backbone interact. energy: -0.583
local terms energy: -85.402851
where:
bonds (distance) C4'-P energy: -18.753
bonds (distance) P-C4' energy: -17.423
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: -22.634
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: 2
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -279.259242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.259242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.259242 (E_RNA)
where:
Base-Base interactions energy: -193.559
where: short stacking energy: -73.277
Base-Backbone interact. energy: -1.512
local terms energy: -84.188093
where:
bonds (distance) C4'-P energy: -14.647
bonds (distance) P-C4' energy: -15.512
flat angles C4'-P-C4' energy: -13.723
flat angles P-C4'-P energy: -13.563
tors. eta vs tors. theta energy: -26.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -275.831894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.831894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.831894 (E_RNA)
where:
Base-Base interactions energy: -188.975
where: short stacking energy: -75.655
Base-Backbone interact. energy: 0.920
local terms energy: -87.776592
where:
bonds (distance) C4'-P energy: -18.869
bonds (distance) P-C4' energy: -19.847
flat angles C4'-P-C4' energy: -18.462
flat angles P-C4'-P energy: -7.098
tors. eta vs tors. theta energy: -23.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -272.097614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.097614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.097614 (E_RNA)
where:
Base-Base interactions energy: -188.878
where: short stacking energy: -74.617
Base-Backbone interact. energy: -0.052
local terms energy: -83.167594
where:
bonds (distance) C4'-P energy: -17.143
bonds (distance) P-C4' energy: -20.694
flat angles C4'-P-C4' energy: -17.306
flat angles P-C4'-P energy: -9.614
tors. eta vs tors. theta energy: -18.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -263.271025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.271025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.271025 (E_RNA)
where:
Base-Base interactions energy: -177.374
where: short stacking energy: -68.076
Base-Backbone interact. energy: -0.638
local terms energy: -85.259361
where:
bonds (distance) C4'-P energy: -18.050
bonds (distance) P-C4' energy: -17.790
flat angles C4'-P-C4' energy: -19.486
flat angles P-C4'-P energy: -12.745
tors. eta vs tors. theta energy: -17.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -265.334152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.334152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.334152 (E_RNA)
where:
Base-Base interactions energy: -181.733
where: short stacking energy: -68.441
Base-Backbone interact. energy: -0.367
local terms energy: -83.234473
where:
bonds (distance) C4'-P energy: -15.694
bonds (distance) P-C4' energy: -16.581
flat angles C4'-P-C4' energy: -17.443
flat angles P-C4'-P energy: -10.865
tors. eta vs tors. theta energy: -22.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -89.888800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.888800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.888800 (E_RNA)
where:
Base-Base interactions energy: -34.427
where: short stacking energy: -26.438
Base-Backbone interact. energy: -0.199
local terms energy: -55.262569
where:
bonds (distance) C4'-P energy: -11.919
bonds (distance) P-C4' energy: -20.669
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -9.234
tors. eta vs tors. theta energy: -0.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -92.838328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.838328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.838328 (E_RNA)
where:
Base-Base interactions energy: -33.846
where: short stacking energy: -33.846
Base-Backbone interact. energy: 1.632
local terms energy: -60.624120
where:
bonds (distance) C4'-P energy: -18.902
bonds (distance) P-C4' energy: -10.775
flat angles C4'-P-C4' energy: -11.802
flat angles P-C4'-P energy: -13.850
tors. eta vs tors. theta energy: -5.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -82.899897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.899897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.899897 (E_RNA)
where:
Base-Base interactions energy: -27.569
where: short stacking energy: -20.543
Base-Backbone interact. energy: -0.147
local terms energy: -55.183008
where:
bonds (distance) C4'-P energy: -18.763
bonds (distance) P-C4' energy: -17.448
flat angles C4'-P-C4' energy: -14.108
flat angles P-C4'-P energy: -6.582
tors. eta vs tors. theta energy: 1.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -294.058209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.058209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.058209 (E_RNA)
where:
Base-Base interactions energy: -197.663
where: short stacking energy: -86.579
Base-Backbone interact. energy: -0.615
local terms energy: -95.780081
where:
bonds (distance) C4'-P energy: -19.254
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -17.368
flat angles P-C4'-P energy: -16.829
tors. eta vs tors. theta energy: -26.171
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: 2, replica: 5
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -286.965728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.965728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.965728 (E_RNA)
where:
Base-Base interactions energy: -190.396
where: short stacking energy: -78.820
Base-Backbone interact. energy: -0.540
local terms energy: -96.029403
where:
bonds (distance) C4'-P energy: -18.283
bonds (distance) P-C4' energy: -17.597
flat angles C4'-P-C4' energy: -19.701
flat angles P-C4'-P energy: -14.419
tors. eta vs tors. theta energy: -26.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -283.878174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.878174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.878174 (E_RNA)
where:
Base-Base interactions energy: -205.333
where: short stacking energy: -83.008
Base-Backbone interact. energy: -0.055
local terms energy: -78.489783
where:
bonds (distance) C4'-P energy: -17.855
bonds (distance) P-C4' energy: -18.469
flat angles C4'-P-C4' energy: -15.006
flat angles P-C4'-P energy: -5.368
tors. eta vs tors. theta energy: -21.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -278.054234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.054234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.054234 (E_RNA)
where:
Base-Base interactions energy: -185.305
where: short stacking energy: -70.360
Base-Backbone interact. energy: 0.636
local terms energy: -93.385594
where:
bonds (distance) C4'-P energy: -16.014
bonds (distance) P-C4' energy: -17.958
flat angles C4'-P-C4' energy: -19.064
flat angles P-C4'-P energy: -13.859
tors. eta vs tors. theta energy: -26.490
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: 7
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -270.391764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.391764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.391764 (E_RNA)
where:
Base-Base interactions energy: -183.139
where: short stacking energy: -71.262
Base-Backbone interact. energy: -0.279
local terms energy: -86.974020
where:
bonds (distance) C4'-P energy: -17.239
bonds (distance) P-C4' energy: -17.744
flat angles C4'-P-C4' energy: -18.621
flat angles P-C4'-P energy: -12.796
tors. eta vs tors. theta energy: -20.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -248.557497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.557497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.557497 (E_RNA)
where:
Base-Base interactions energy: -166.566
where: short stacking energy: -68.394
Base-Backbone interact. energy: -0.018
local terms energy: -81.973024
where:
bonds (distance) C4'-P energy: -12.739
bonds (distance) P-C4' energy: -14.473
flat angles C4'-P-C4' energy: -19.117
flat angles P-C4'-P energy: -12.028
tors. eta vs tors. theta energy: -23.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -249.409581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.409581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.409581 (E_RNA)
where:
Base-Base interactions energy: -174.186
where: short stacking energy: -67.099
Base-Backbone interact. energy: 0.660
local terms energy: -75.882793
where:
bonds (distance) C4'-P energy: -16.523
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -16.139
flat angles P-C4'-P energy: -6.263
tors. eta vs tors. theta energy: -21.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -107.123962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.123962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.123962 (E_RNA)
where:
Base-Base interactions energy: -55.650
where: short stacking energy: -22.086
Base-Backbone interact. energy: -0.244
local terms energy: -51.229491
where:
bonds (distance) C4'-P energy: -17.987
bonds (distance) P-C4' energy: -16.001
flat angles C4'-P-C4' energy: -13.942
flat angles P-C4'-P energy: -7.053
tors. eta vs tors. theta energy: 3.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -93.159513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.159513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.159513 (E_RNA)
where:
Base-Base interactions energy: -32.862
where: short stacking energy: -30.770
Base-Backbone interact. energy: -0.937
local terms energy: -59.360777
where:
bonds (distance) C4'-P energy: -17.673
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -13.328
flat angles P-C4'-P energy: -8.396
tors. eta vs tors. theta energy: -2.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -86.160097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.160097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.160097 (E_RNA)
where:
Base-Base interactions energy: -40.063
where: short stacking energy: -34.560
Base-Backbone interact. energy: 1.725
local terms energy: -47.821858
where:
bonds (distance) C4'-P energy: -15.926
bonds (distance) P-C4' energy: -12.495
flat angles C4'-P-C4' energy: -10.826
flat angles P-C4'-P energy: -4.859
tors. eta vs tors. theta energy: -3.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 201
Temperature: 0.900000
Total energy: -293.564391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.564391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.564391 (E_RNA)
where:
Base-Base interactions energy: -198.092
where: short stacking energy: -78.192
Base-Backbone interact. energy: -1.012
local terms energy: -94.459612
where:
bonds (distance) C4'-P energy: -17.288
bonds (distance) P-C4' energy: -21.013
flat angles C4'-P-C4' energy: -17.310
flat angles P-C4'-P energy: -13.522
tors. eta vs tors. theta energy: -25.327
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: 5
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -292.506050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.506050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.506050 (E_RNA)
where:
Base-Base interactions energy: -196.092
where: short stacking energy: -74.636
Base-Backbone interact. energy: -0.933
local terms energy: -95.480938
where:
bonds (distance) C4'-P energy: -18.657
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -19.888
flat angles P-C4'-P energy: -14.422
tors. eta vs tors. theta energy: -25.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -291.041759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.041759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.041759 (E_RNA)
where:
Base-Base interactions energy: -193.919
where: short stacking energy: -74.970
Base-Backbone interact. energy: -0.097
local terms energy: -97.025471
where:
bonds (distance) C4'-P energy: -21.726
bonds (distance) P-C4' energy: -19.077
flat angles C4'-P-C4' energy: -19.592
flat angles P-C4'-P energy: -15.796
tors. eta vs tors. theta energy: -20.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -280.220627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.220627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.220627 (E_RNA)
where:
Base-Base interactions energy: -192.803
where: short stacking energy: -75.789
Base-Backbone interact. energy: -0.920
local terms energy: -86.497832
where:
bonds (distance) C4'-P energy: -18.662
bonds (distance) P-C4' energy: -16.437
flat angles C4'-P-C4' energy: -18.483
flat angles P-C4'-P energy: -12.362
tors. eta vs tors. theta energy: -20.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -271.452633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.452633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.452633 (E_RNA)
where:
Base-Base interactions energy: -182.433
where: short stacking energy: -74.460
Base-Backbone interact. energy: 1.281
local terms energy: -90.300831
where:
bonds (distance) C4'-P energy: -17.993
bonds (distance) P-C4' energy: -15.455
flat angles C4'-P-C4' energy: -16.811
flat angles P-C4'-P energy: -14.579
tors. eta vs tors. theta energy: -25.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -263.815330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.815330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.815330 (E_RNA)
where:
Base-Base interactions energy: -177.953
where: short stacking energy: -75.047
Base-Backbone interact. energy: -0.501
local terms energy: -85.360976
where:
bonds (distance) C4'-P energy: -15.657
bonds (distance) P-C4' energy: -11.123
flat angles C4'-P-C4' energy: -20.138
flat angles P-C4'-P energy: -14.077
tors. eta vs tors. theta energy: -24.366
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: 7, replica: 1
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -247.564918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.564918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.564918 (E_RNA)
where:
Base-Base interactions energy: -159.622
where: short stacking energy: -73.925
Base-Backbone interact. energy: 0.133
local terms energy: -88.075221
where:
bonds (distance) C4'-P energy: -17.780
bonds (distance) P-C4' energy: -19.805
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -15.202
tors. eta vs tors. theta energy: -20.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -133.594603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.594603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.594603 (E_RNA)
where:
Base-Base interactions energy: -78.785
where: short stacking energy: -46.548
Base-Backbone interact. energy: -0.342
local terms energy: -54.468122
where:
bonds (distance) C4'-P energy: -17.600
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -11.309
flat angles P-C4'-P energy: -4.219
tors. eta vs tors. theta energy: -9.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -83.202398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.202398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.202398 (E_RNA)
where:
Base-Base interactions energy: -23.467
where: short stacking energy: -17.576
Base-Backbone interact. energy: -0.568
local terms energy: -59.167217
where:
bonds (distance) C4'-P energy: -14.278
bonds (distance) P-C4' energy: -20.137
flat angles C4'-P-C4' energy: -17.402
flat angles P-C4'-P energy: -9.311
tors. eta vs tors. theta energy: 1.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -88.982523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.982523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.982523 (E_RNA)
where:
Base-Base interactions energy: -36.025
where: short stacking energy: -25.295
Base-Backbone interact. energy: -0.271
local terms energy: -52.686634
where:
bonds (distance) C4'-P energy: -13.045
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -17.379
flat angles P-C4'-P energy: -9.052
tors. eta vs tors. theta energy: 3.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -295.470840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.470840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.470840 (E_RNA)
where:
Base-Base interactions energy: -200.457
where: short stacking energy: -83.515
Base-Backbone interact. energy: -0.010
local terms energy: -95.003275
where:
bonds (distance) C4'-P energy: -18.862
bonds (distance) P-C4' energy: -15.342
flat angles C4'-P-C4' energy: -22.154
flat angles P-C4'-P energy: -10.890
tors. eta vs tors. theta energy: -27.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -287.360865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.360865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.360865 (E_RNA)
where:
Base-Base interactions energy: -193.194
where: short stacking energy: -81.702
Base-Backbone interact. energy: -0.191
local terms energy: -93.976036
where:
bonds (distance) C4'-P energy: -19.722
bonds (distance) P-C4' energy: -21.184
flat angles C4'-P-C4' energy: -13.635
flat angles P-C4'-P energy: -13.616
tors. eta vs tors. theta energy: -25.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -285.782342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.782342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.782342 (E_RNA)
where:
Base-Base interactions energy: -192.824
where: short stacking energy: -73.680
Base-Backbone interact. energy: -0.145
local terms energy: -92.812930
where:
bonds (distance) C4'-P energy: -17.453
bonds (distance) P-C4' energy: -19.473
flat angles C4'-P-C4' energy: -17.751
flat angles P-C4'-P energy: -16.169
tors. eta vs tors. theta energy: -21.967
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: 7
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -273.343489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.343489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.343489 (E_RNA)
where:
Base-Base interactions energy: -187.806
where: short stacking energy: -72.559
Base-Backbone interact. energy: -1.003
local terms energy: -84.535188
where:
bonds (distance) C4'-P energy: -18.233
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -17.854
flat angles P-C4'-P energy: -12.238
tors. eta vs tors. theta energy: -19.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -277.688716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.688716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.688716 (E_RNA)
where:
Base-Base interactions energy: -201.043
where: short stacking energy: -73.926
Base-Backbone interact. energy: -0.398
local terms energy: -76.247278
where:
bonds (distance) C4'-P energy: -10.506
bonds (distance) P-C4' energy: -13.192
flat angles C4'-P-C4' energy: -20.799
flat angles P-C4'-P energy: -8.546
tors. eta vs tors. theta energy: -23.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -269.811660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.811660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.811660 (E_RNA)
where:
Base-Base interactions energy: -178.293
where: short stacking energy: -73.202
Base-Backbone interact. energy: 0.766
local terms energy: -92.284533
where:
bonds (distance) C4'-P energy: -17.412
bonds (distance) P-C4' energy: -17.363
flat angles C4'-P-C4' energy: -18.386
flat angles P-C4'-P energy: -12.350
tors. eta vs tors. theta energy: -26.774
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: 7, replica: 1
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -241.893553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.893553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.893553 (E_RNA)
where:
Base-Base interactions energy: -163.837
where: short stacking energy: -65.689
Base-Backbone interact. energy: 0.099
local terms energy: -78.155789
where:
bonds (distance) C4'-P energy: -14.559
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -15.350
flat angles P-C4'-P energy: -14.522
tors. eta vs tors. theta energy: -15.321
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: 8, replica: 10
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -129.663858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.663858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.663858 (E_RNA)
where:
Base-Base interactions energy: -65.632
where: short stacking energy: -33.730
Base-Backbone interact. energy: -1.345
local terms energy: -62.686250
where:
bonds (distance) C4'-P energy: -11.850
bonds (distance) P-C4' energy: -16.343
flat angles C4'-P-C4' energy: -18.371
flat angles P-C4'-P energy: -12.834
tors. eta vs tors. theta energy: -3.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -96.573593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.573593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.573593 (E_RNA)
where:
Base-Base interactions energy: -28.735
where: short stacking energy: -28.735
Base-Backbone interact. energy: -0.448
local terms energy: -67.390453
where:
bonds (distance) C4'-P energy: -19.634
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -18.051
flat angles P-C4'-P energy: -11.002
tors. eta vs tors. theta energy: -1.627
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: 202
Temperature: 1.350000
Total energy: -90.536004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.536004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.536004 (E_RNA)
where:
Base-Base interactions energy: -34.784
where: short stacking energy: -27.361
Base-Backbone interact. energy: -0.146
local terms energy: -55.605971
where:
bonds (distance) C4'-P energy: -13.538
bonds (distance) P-C4' energy: -17.169
flat angles C4'-P-C4' energy: -13.249
flat angles P-C4'-P energy: -9.809
tors. eta vs tors. theta energy: -1.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -289.551045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.551045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.551045 (E_RNA)
where:
Base-Base interactions energy: -200.026
where: short stacking energy: -83.504
Base-Backbone interact. energy: -0.572
local terms energy: -88.953083
where:
bonds (distance) C4'-P energy: -14.317
bonds (distance) P-C4' energy: -20.880
flat angles C4'-P-C4' energy: -17.442
flat angles P-C4'-P energy: -12.139
tors. eta vs tors. theta energy: -24.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -290.204940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.204940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.204940 (E_RNA)
where:
Base-Base interactions energy: -202.429
where: short stacking energy: -74.428
Base-Backbone interact. energy: -0.461
local terms energy: -87.314872
where:
bonds (distance) C4'-P energy: -14.526
bonds (distance) P-C4' energy: -17.670
flat angles C4'-P-C4' energy: -19.553
flat angles P-C4'-P energy: -14.919
tors. eta vs tors. theta energy: -20.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -289.137490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.137490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.137490 (E_RNA)
where:
Base-Base interactions energy: -197.060
where: short stacking energy: -87.114
Base-Backbone interact. energy: -0.005
local terms energy: -92.072923
where:
bonds (distance) C4'-P energy: -19.139
bonds (distance) P-C4' energy: -11.930
flat angles C4'-P-C4' energy: -16.612
flat angles P-C4'-P energy: -16.563
tors. eta vs tors. theta energy: -27.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -282.668738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.668738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.668738 (E_RNA)
where:
Base-Base interactions energy: -183.172
where: short stacking energy: -78.787
Base-Backbone interact. energy: -0.431
local terms energy: -99.064965
where:
bonds (distance) C4'-P energy: -17.257
bonds (distance) P-C4' energy: -22.578
flat angles C4'-P-C4' energy: -22.236
flat angles P-C4'-P energy: -10.686
tors. eta vs tors. theta energy: -26.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -265.707216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.707216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.707216 (E_RNA)
where:
Base-Base interactions energy: -180.092
where: short stacking energy: -70.566
Base-Backbone interact. energy: -0.069
local terms energy: -85.546386
where:
bonds (distance) C4'-P energy: -17.980
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -20.463
flat angles P-C4'-P energy: -11.363
tors. eta vs tors. theta energy: -19.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -264.072748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.072748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.072748 (E_RNA)
where:
Base-Base interactions energy: -175.954
where: short stacking energy: -72.562
Base-Backbone interact. energy: -1.656
local terms energy: -86.461869
where:
bonds (distance) C4'-P energy: -11.094
bonds (distance) P-C4' energy: -20.473
flat angles C4'-P-C4' energy: -21.076
flat angles P-C4'-P energy: -11.504
tors. eta vs tors. theta energy: -22.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -265.250199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.250199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.250199 (E_RNA)
where:
Base-Base interactions energy: -183.236
where: short stacking energy: -68.816
Base-Backbone interact. energy: -1.020
local terms energy: -80.994164
where:
bonds (distance) C4'-P energy: -16.692
bonds (distance) P-C4' energy: -13.005
flat angles C4'-P-C4' energy: -18.682
flat angles P-C4'-P energy: -13.879
tors. eta vs tors. theta energy: -18.736
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: 203
Temperature: 1.250000
Total energy: -98.335255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.335255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.335255 (E_RNA)
where:
Base-Base interactions energy: -39.408
where: short stacking energy: -27.732
Base-Backbone interact. energy: -1.077
local terms energy: -57.849817
where:
bonds (distance) C4'-P energy: -18.729
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -11.585
flat angles P-C4'-P energy: -8.464
tors. eta vs tors. theta energy: -2.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -135.357351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.357351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.357351 (E_RNA)
where:
Base-Base interactions energy: -69.966
where: short stacking energy: -34.161
Base-Backbone interact. energy: -0.269
local terms energy: -65.122339
where:
bonds (distance) C4'-P energy: -18.365
bonds (distance) P-C4' energy: -18.525
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -9.111
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: 10, replica: 6
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -87.815147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.815147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.815147 (E_RNA)
where:
Base-Base interactions energy: -38.595
where: short stacking energy: -27.493
Base-Backbone interact. energy: 1.117
local terms energy: -50.338011
where:
bonds (distance) C4'-P energy: -14.460
bonds (distance) P-C4' energy: -17.296
flat angles C4'-P-C4' energy: -10.714
flat angles P-C4'-P energy: -6.352
tors. eta vs tors. theta energy: -1.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -292.524933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.524933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.524933 (E_RNA)
where:
Base-Base interactions energy: -190.589
where: short stacking energy: -70.446
Base-Backbone interact. energy: -0.138
local terms energy: -101.798241
where:
bonds (distance) C4'-P energy: -20.940
bonds (distance) P-C4' energy: -19.943
flat angles C4'-P-C4' energy: -21.508
flat angles P-C4'-P energy: -16.011
tors. eta vs tors. theta energy: -23.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -291.061132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.061132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.061132 (E_RNA)
where:
Base-Base interactions energy: -194.444
where: short stacking energy: -77.584
Base-Backbone interact. energy: 0.919
local terms energy: -97.536066
where:
bonds (distance) C4'-P energy: -18.977
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -19.800
flat angles P-C4'-P energy: -14.870
tors. eta vs tors. theta energy: -25.711
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: 4
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -288.336542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.336542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.336542 (E_RNA)
where:
Base-Base interactions energy: -191.152
where: short stacking energy: -87.260
Base-Backbone interact. energy: 0.744
local terms energy: -97.928744
where:
bonds (distance) C4'-P energy: -20.194
bonds (distance) P-C4' energy: -16.134
flat angles C4'-P-C4' energy: -19.797
flat angles P-C4'-P energy: -16.014
tors. eta vs tors. theta energy: -25.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -262.787214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.787214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.787214 (E_RNA)
where:
Base-Base interactions energy: -175.730
where: short stacking energy: -81.455
Base-Backbone interact. energy: -0.048
local terms energy: -87.008458
where:
bonds (distance) C4'-P energy: -15.078
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -18.501
flat angles P-C4'-P energy: -11.673
tors. eta vs tors. theta energy: -24.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -269.444476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.444476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.444476 (E_RNA)
where:
Base-Base interactions energy: -183.788
where: short stacking energy: -78.106
Base-Backbone interact. energy: -0.631
local terms energy: -85.024827
where:
bonds (distance) C4'-P energy: -12.586
bonds (distance) P-C4' energy: -17.652
flat angles C4'-P-C4' energy: -16.948
flat angles P-C4'-P energy: -14.411
tors. eta vs tors. theta energy: -23.427
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: 204
Temperature: 1.150000
Total energy: -269.887839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.887839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.887839 (E_RNA)
where:
Base-Base interactions energy: -190.817
where: short stacking energy: -76.998
Base-Backbone interact. energy: -0.675
local terms energy: -78.395779
where:
bonds (distance) C4'-P energy: -13.640
bonds (distance) P-C4' energy: -17.157
flat angles C4'-P-C4' energy: -14.975
flat angles P-C4'-P energy: -8.686
tors. eta vs tors. theta energy: -23.938
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: 7, replica: 1
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -249.839362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.839362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.839362 (E_RNA)
where:
Base-Base interactions energy: -184.853
where: short stacking energy: -76.352
Base-Backbone interact. energy: -0.075
local terms energy: -64.911194
where:
bonds (distance) C4'-P energy: -10.910
bonds (distance) P-C4' energy: -14.376
flat angles C4'-P-C4' energy: -16.528
flat angles P-C4'-P energy: -4.279
tors. eta vs tors. theta energy: -18.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -109.759984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.759984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.759984 (E_RNA)
where:
Base-Base interactions energy: -46.978
where: short stacking energy: -31.977
Base-Backbone interact. energy: 0.564
local terms energy: -63.346595
where:
bonds (distance) C4'-P energy: -10.102
bonds (distance) P-C4' energy: -19.861
flat angles C4'-P-C4' energy: -18.765
flat angles P-C4'-P energy: -10.038
tors. eta vs tors. theta energy: -4.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -105.036715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.036715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.036715 (E_RNA)
where:
Base-Base interactions energy: -34.906
where: short stacking energy: -31.762
Base-Backbone interact. energy: -0.523
local terms energy: -69.607487
where:
bonds (distance) C4'-P energy: -17.475
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -17.482
flat angles P-C4'-P energy: -11.266
tors. eta vs tors. theta energy: -7.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -87.149613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.149613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.149613 (E_RNA)
where:
Base-Base interactions energy: -29.304
where: short stacking energy: -28.537
Base-Backbone interact. energy: 0.268
local terms energy: -58.113005
where:
bonds (distance) C4'-P energy: -14.826
bonds (distance) P-C4' energy: -17.008
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -7.725
tors. eta vs tors. theta energy: -5.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -290.569227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.569227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.569227 (E_RNA)
where:
Base-Base interactions energy: -195.544
where: short stacking energy: -78.052
Base-Backbone interact. energy: -0.068
local terms energy: -94.957246
where:
bonds (distance) C4'-P energy: -20.770
bonds (distance) P-C4' energy: -17.624
flat angles C4'-P-C4' energy: -19.904
flat angles P-C4'-P energy: -13.527
tors. eta vs tors. theta energy: -23.132
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: 4
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -283.090173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.090173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.090173 (E_RNA)
where:
Base-Base interactions energy: -179.306
where: short stacking energy: -83.445
Base-Backbone interact. energy: -0.067
local terms energy: -103.716705
where:
bonds (distance) C4'-P energy: -19.267
bonds (distance) P-C4' energy: -20.877
flat angles C4'-P-C4' energy: -21.750
flat angles P-C4'-P energy: -15.514
tors. eta vs tors. theta energy: -26.309
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: 5
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -272.323993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.323993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.323993 (E_RNA)
where:
Base-Base interactions energy: -194.296
where: short stacking energy: -72.401
Base-Backbone interact. energy: -0.888
local terms energy: -77.139986
where:
bonds (distance) C4'-P energy: -18.457
bonds (distance) P-C4' energy: -12.111
flat angles C4'-P-C4' energy: -17.198
flat angles P-C4'-P energy: -9.918
tors. eta vs tors. theta energy: -19.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -275.545428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.545428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.545428 (E_RNA)
where:
Base-Base interactions energy: -184.863
where: short stacking energy: -73.064
Base-Backbone interact. energy: -1.379
local terms energy: -89.303057
where:
bonds (distance) C4'-P energy: -15.542
bonds (distance) P-C4' energy: -13.914
flat angles C4'-P-C4' energy: -18.327
flat angles P-C4'-P energy: -16.538
tors. eta vs tors. theta energy: -24.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -260.676763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.676763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.676763 (E_RNA)
where:
Base-Base interactions energy: -175.435
where: short stacking energy: -74.022
Base-Backbone interact. energy: -0.089
local terms energy: -85.152581
where:
bonds (distance) C4'-P energy: -17.471
bonds (distance) P-C4' energy: -19.455
flat angles C4'-P-C4' energy: -16.456
flat angles P-C4'-P energy: -10.057
tors. eta vs tors. theta energy: -21.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -259.246539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.246539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.246539 (E_RNA)
where:
Base-Base interactions energy: -170.463
where: short stacking energy: -80.451
Base-Backbone interact. energy: -0.055
local terms energy: -88.728924
where:
bonds (distance) C4'-P energy: -16.046
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -11.325
flat angles P-C4'-P energy: -17.896
tors. eta vs tors. theta energy: -28.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -267.804341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.804341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.804341 (E_RNA)
where:
Base-Base interactions energy: -179.206
where: short stacking energy: -67.659
Base-Backbone interact. energy: -1.411
local terms energy: -87.187773
where:
bonds (distance) C4'-P energy: -17.433
bonds (distance) P-C4' energy: -16.031
flat angles C4'-P-C4' energy: -13.703
flat angles P-C4'-P energy: -18.445
tors. eta vs tors. theta energy: -21.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -117.881484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.881484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.881484 (E_RNA)
where:
Base-Base interactions energy: -52.624
where: short stacking energy: -33.149
Base-Backbone interact. energy: -0.064
local terms energy: -65.193860
where:
bonds (distance) C4'-P energy: -15.939
bonds (distance) P-C4' energy: -15.915
flat angles C4'-P-C4' energy: -17.085
flat angles P-C4'-P energy: -2.756
tors. eta vs tors. theta energy: -13.499
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: 9, replica: 8
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -94.480907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.480907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.480907 (E_RNA)
where:
Base-Base interactions energy: -33.736
where: short stacking energy: -31.422
Base-Backbone interact. energy: -0.098
local terms energy: -60.646620
where:
bonds (distance) C4'-P energy: -11.705
bonds (distance) P-C4' energy: -20.320
flat angles C4'-P-C4' energy: -12.554
flat angles P-C4'-P energy: -7.784
tors. eta vs tors. theta energy: -8.284
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: 10
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -96.646791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.646791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.646791 (E_RNA)
where:
Base-Base interactions energy: -41.606
where: short stacking energy: -28.073
Base-Backbone interact. energy: -0.126
local terms energy: -54.914821
where:
bonds (distance) C4'-P energy: -16.072
bonds (distance) P-C4' energy: -17.822
flat angles C4'-P-C4' energy: -10.885
flat angles P-C4'-P energy: -9.329
tors. eta vs tors. theta energy: -0.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -292.139109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.139109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.139109 (E_RNA)
where:
Base-Base interactions energy: -202.705
where: short stacking energy: -85.708
Base-Backbone interact. energy: -0.085
local terms energy: -89.348919
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -18.578
flat angles C4'-P-C4' energy: -20.490
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: -23.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -293.315443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.315443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.315443 (E_RNA)
where:
Base-Base interactions energy: -198.905
where: short stacking energy: -78.142
Base-Backbone interact. energy: -0.068
local terms energy: -94.342626
where:
bonds (distance) C4'-P energy: -21.035
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -19.058
flat angles P-C4'-P energy: -13.598
tors. eta vs tors. theta energy: -22.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -281.550821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.550821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.550821 (E_RNA)
where:
Base-Base interactions energy: -196.595
where: short stacking energy: -76.160
Base-Backbone interact. energy: -0.446
local terms energy: -84.510376
where:
bonds (distance) C4'-P energy: -14.971
bonds (distance) P-C4' energy: -14.503
flat angles C4'-P-C4' energy: -19.299
flat angles P-C4'-P energy: -12.334
tors. eta vs tors. theta energy: -23.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -272.931962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.931962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.931962 (E_RNA)
where:
Base-Base interactions energy: -188.353
where: short stacking energy: -73.709
Base-Backbone interact. energy: -0.392
local terms energy: -84.187159
where:
bonds (distance) C4'-P energy: -17.461
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -19.562
flat angles P-C4'-P energy: -11.029
tors. eta vs tors. theta energy: -20.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -264.740797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.740797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.740797 (E_RNA)
where:
Base-Base interactions energy: -181.663
where: short stacking energy: -74.146
Base-Backbone interact. energy: -0.296
local terms energy: -82.781170
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -19.598
flat angles C4'-P-C4' energy: -16.593
flat angles P-C4'-P energy: -8.997
tors. eta vs tors. theta energy: -22.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -269.636578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.636578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.636578 (E_RNA)
where:
Base-Base interactions energy: -179.268
where: short stacking energy: -71.357
Base-Backbone interact. energy: -0.454
local terms energy: -89.914400
where:
bonds (distance) C4'-P energy: -18.326
bonds (distance) P-C4' energy: -16.616
flat angles C4'-P-C4' energy: -18.811
flat angles P-C4'-P energy: -11.753
tors. eta vs tors. theta energy: -24.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -250.362727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.362727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.362727 (E_RNA)
where:
Base-Base interactions energy: -182.745
where: short stacking energy: -73.062
Base-Backbone interact. energy: -0.109
local terms energy: -67.508253
where:
bonds (distance) C4'-P energy: -11.955
bonds (distance) P-C4' energy: -11.206
flat angles C4'-P-C4' energy: -15.149
flat angles P-C4'-P energy: -7.393
tors. eta vs tors. theta energy: -21.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -118.436151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.436151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.436151 (E_RNA)
where:
Base-Base interactions energy: -61.982
where: short stacking energy: -37.561
Base-Backbone interact. energy: 1.063
local terms energy: -57.516843
where:
bonds (distance) C4'-P energy: -10.747
bonds (distance) P-C4' energy: -20.104
flat angles C4'-P-C4' energy: -17.964
flat angles P-C4'-P energy: -7.752
tors. eta vs tors. theta energy: -0.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -88.842984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.842984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.842984 (E_RNA)
where:
Base-Base interactions energy: -24.615
where: short stacking energy: -23.344
Base-Backbone interact. energy: -0.183
local terms energy: -64.044738
where:
bonds (distance) C4'-P energy: -18.327
bonds (distance) P-C4' energy: -21.064
flat angles C4'-P-C4' energy: -12.590
flat angles P-C4'-P energy: -12.931
tors. eta vs tors. theta energy: 0.868
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: 8
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -97.991542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.991542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.991542 (E_RNA)
where:
Base-Base interactions energy: -40.228
where: short stacking energy: -36.779
Base-Backbone interact. energy: -0.885
local terms energy: -56.878881
where:
bonds (distance) C4'-P energy: -18.655
bonds (distance) P-C4' energy: -16.493
flat angles C4'-P-C4' energy: -11.666
flat angles P-C4'-P energy: -5.974
tors. eta vs tors. theta energy: -4.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -293.306038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.306038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.306038 (E_RNA)
where:
Base-Base interactions energy: -204.547
where: short stacking energy: -70.549
Base-Backbone interact. energy: -0.093
local terms energy: -88.666953
where:
bonds (distance) C4'-P energy: -16.766
bonds (distance) P-C4' energy: -19.735
flat angles C4'-P-C4' energy: -19.869
flat angles P-C4'-P energy: -11.964
tors. eta vs tors. theta energy: -20.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -289.232419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.232419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.232419 (E_RNA)
where:
Base-Base interactions energy: -195.594
where: short stacking energy: -78.885
Base-Backbone interact. energy: -0.079
local terms energy: -93.559048
where:
bonds (distance) C4'-P energy: -20.158
bonds (distance) P-C4' energy: -20.982
flat angles C4'-P-C4' energy: -19.610
flat angles P-C4'-P energy: -11.235
tors. eta vs tors. theta energy: -21.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -279.896332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.896332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.896332 (E_RNA)
where:
Base-Base interactions energy: -198.657
where: short stacking energy: -75.826
Base-Backbone interact. energy: -0.275
local terms energy: -80.963485
where:
bonds (distance) C4'-P energy: -16.062
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -13.883
flat angles P-C4'-P energy: -15.670
tors. eta vs tors. theta energy: -20.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -271.820579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.820579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.820579 (E_RNA)
where:
Base-Base interactions energy: -189.994
where: short stacking energy: -76.887
Base-Backbone interact. energy: 0.061
local terms energy: -81.888077
where:
bonds (distance) C4'-P energy: -19.962
bonds (distance) P-C4' energy: -14.506
flat angles C4'-P-C4' energy: -14.981
flat angles P-C4'-P energy: -10.321
tors. eta vs tors. theta energy: -22.118
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: 5
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -279.088874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.088874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.088874 (E_RNA)
where:
Base-Base interactions energy: -181.611
where: short stacking energy: -73.254
Base-Backbone interact. energy: -0.479
local terms energy: -96.998851
where:
bonds (distance) C4'-P energy: -18.517
bonds (distance) P-C4' energy: -20.634
flat angles C4'-P-C4' energy: -18.709
flat angles P-C4'-P energy: -13.318
tors. eta vs tors. theta energy: -25.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -269.669790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.669790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.669790 (E_RNA)
where:
Base-Base interactions energy: -182.395
where: short stacking energy: -70.312
Base-Backbone interact. energy: -0.479
local terms energy: -86.796031
where:
bonds (distance) C4'-P energy: -17.807
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -16.344
flat angles P-C4'-P energy: -11.850
tors. eta vs tors. theta energy: -24.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -257.822060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.822060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.822060 (E_RNA)
where:
Base-Base interactions energy: -177.824
where: short stacking energy: -68.454
Base-Backbone interact. energy: -0.010
local terms energy: -79.987842
where:
bonds (distance) C4'-P energy: -12.124
bonds (distance) P-C4' energy: -16.055
flat angles C4'-P-C4' energy: -17.286
flat angles P-C4'-P energy: -13.029
tors. eta vs tors. theta energy: -21.495
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: 207
Temperature: 1.250000
Total energy: -113.885280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.885280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.885280 (E_RNA)
where:
Base-Base interactions energy: -43.613
where: short stacking energy: -37.686
Base-Backbone interact. energy: 0.344
local terms energy: -70.615929
where:
bonds (distance) C4'-P energy: -18.959
bonds (distance) P-C4' energy: -17.480
flat angles C4'-P-C4' energy: -14.324
flat angles P-C4'-P energy: -13.624
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: 9, replica: 6
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -86.198927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.198927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.198927 (E_RNA)
where:
Base-Base interactions energy: -33.643
where: short stacking energy: -21.834
Base-Backbone interact. energy: -0.662
local terms energy: -51.894076
where:
bonds (distance) C4'-P energy: -12.867
bonds (distance) P-C4' energy: -14.923
flat angles C4'-P-C4' energy: -21.625
flat angles P-C4'-P energy: -6.793
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: 10, replica: 8
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -104.648980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.648980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.648980 (E_RNA)
where:
Base-Base interactions energy: -48.432
where: short stacking energy: -30.218
Base-Backbone interact. energy: 1.722
local terms energy: -57.939096
where:
bonds (distance) C4'-P energy: -9.872
bonds (distance) P-C4' energy: -15.533
flat angles C4'-P-C4' energy: -18.431
flat angles P-C4'-P energy: -13.249
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: 1, replica: 4
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -291.914793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.914793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.914793 (E_RNA)
where:
Base-Base interactions energy: -195.764
where: short stacking energy: -80.346
Base-Backbone interact. energy: 0.646
local terms energy: -96.796775
where:
bonds (distance) C4'-P energy: -17.529
bonds (distance) P-C4' energy: -20.802
flat angles C4'-P-C4' energy: -20.100
flat angles P-C4'-P energy: -11.689
tors. eta vs tors. theta energy: -26.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -291.603608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.603608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.603608 (E_RNA)
where:
Base-Base interactions energy: -196.704
where: short stacking energy: -82.981
Base-Backbone interact. energy: -0.365
local terms energy: -94.533900
where:
bonds (distance) C4'-P energy: -18.018
bonds (distance) P-C4' energy: -18.620
flat angles C4'-P-C4' energy: -21.247
flat angles P-C4'-P energy: -13.054
tors. eta vs tors. theta energy: -23.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -285.929683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.929683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.929683 (E_RNA)
where:
Base-Base interactions energy: -197.512
where: short stacking energy: -75.528
Base-Backbone interact. energy: -1.535
local terms energy: -86.882157
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -15.915
flat angles C4'-P-C4' energy: -22.004
flat angles P-C4'-P energy: -12.566
tors. eta vs tors. theta energy: -22.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -274.767777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.767777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.767777 (E_RNA)
where:
Base-Base interactions energy: -185.831
where: short stacking energy: -75.593
Base-Backbone interact. energy: -0.100
local terms energy: -88.836479
where:
bonds (distance) C4'-P energy: -14.925
bonds (distance) P-C4' energy: -20.499
flat angles C4'-P-C4' energy: -19.430
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -23.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -267.694441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.694441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.694441 (E_RNA)
where:
Base-Base interactions energy: -174.602
where: short stacking energy: -68.558
Base-Backbone interact. energy: -0.546
local terms energy: -92.546155
where:
bonds (distance) C4'-P energy: -15.454
bonds (distance) P-C4' energy: -19.906
flat angles C4'-P-C4' energy: -22.678
flat angles P-C4'-P energy: -10.384
tors. eta vs tors. theta energy: -24.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -265.525866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.525866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.525866 (E_RNA)
where:
Base-Base interactions energy: -177.979
where: short stacking energy: -83.208
Base-Backbone interact. energy: -0.003
local terms energy: -87.543284
where:
bonds (distance) C4'-P energy: -16.477
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -18.248
flat angles P-C4'-P energy: -12.771
tors. eta vs tors. theta energy: -23.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -269.873135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.873135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.873135 (E_RNA)
where:
Base-Base interactions energy: -174.248
where: short stacking energy: -82.152
Base-Backbone interact. energy: -0.043
local terms energy: -95.582277
where:
bonds (distance) C4'-P energy: -15.093
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -20.979
flat angles P-C4'-P energy: -14.652
tors. eta vs tors. theta energy: -26.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -100.641313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.641313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.641313 (E_RNA)
where:
Base-Base interactions energy: -41.800
where: short stacking energy: -41.222
Base-Backbone interact. energy: -0.203
local terms energy: -58.638324
where:
bonds (distance) C4'-P energy: -15.897
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -11.923
flat angles P-C4'-P energy: -11.239
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: 9, replica: 8
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -146.416416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.416416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.416416 (E_RNA)
where:
Base-Base interactions energy: -76.233
where: short stacking energy: -39.061
Base-Backbone interact. energy: -0.678
local terms energy: -69.505722
where:
bonds (distance) C4'-P energy: -17.322
bonds (distance) P-C4' energy: -17.408
flat angles C4'-P-C4' energy: -17.784
flat angles P-C4'-P energy: -9.319
tors. eta vs tors. theta energy: -7.672
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: 6
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -89.203941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.203941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.203941 (E_RNA)
where:
Base-Base interactions energy: -31.412
where: short stacking energy: -19.364
Base-Backbone interact. energy: -0.081
local terms energy: -57.710938
where:
bonds (distance) C4'-P energy: -18.378
bonds (distance) P-C4' energy: -20.588
flat angles C4'-P-C4' energy: -13.500
flat angles P-C4'-P energy: -7.733
tors. eta vs tors. theta energy: 2.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -295.575982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.575982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.575982 (E_RNA)
where:
Base-Base interactions energy: -201.555
where: short stacking energy: -84.331
Base-Backbone interact. energy: -0.012
local terms energy: -94.009106
where:
bonds (distance) C4'-P energy: -18.154
bonds (distance) P-C4' energy: -19.785
flat angles C4'-P-C4' energy: -20.018
flat angles P-C4'-P energy: -10.923
tors. eta vs tors. theta energy: -25.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -286.235178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.235178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.235178 (E_RNA)
where:
Base-Base interactions energy: -189.734
where: short stacking energy: -80.426
Base-Backbone interact. energy: -0.317
local terms energy: -96.184355
where:
bonds (distance) C4'-P energy: -16.535
bonds (distance) P-C4' energy: -18.946
flat angles C4'-P-C4' energy: -20.031
flat angles P-C4'-P energy: -17.607
tors. eta vs tors. theta energy: -23.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -285.706426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.706426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.706426 (E_RNA)
where:
Base-Base interactions energy: -194.689
where: short stacking energy: -75.062
Base-Backbone interact. energy: -0.204
local terms energy: -90.814248
where:
bonds (distance) C4'-P energy: -15.474
bonds (distance) P-C4' energy: -21.936
flat angles C4'-P-C4' energy: -20.702
flat angles P-C4'-P energy: -12.707
tors. eta vs tors. theta energy: -19.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -277.238772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.238772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.238772 (E_RNA)
where:
Base-Base interactions energy: -193.659
where: short stacking energy: -78.803
Base-Backbone interact. energy: -0.138
local terms energy: -83.441470
where:
bonds (distance) C4'-P energy: -12.001
bonds (distance) P-C4' energy: -18.890
flat angles C4'-P-C4' energy: -13.735
flat angles P-C4'-P energy: -11.096
tors. eta vs tors. theta energy: -27.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -276.574191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.574191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.574191 (E_RNA)
where:
Base-Base interactions energy: -189.070
where: short stacking energy: -73.503
Base-Backbone interact. energy: -0.767
local terms energy: -86.737198
where:
bonds (distance) C4'-P energy: -12.784
bonds (distance) P-C4' energy: -14.882
flat angles C4'-P-C4' energy: -18.875
flat angles P-C4'-P energy: -13.352
tors. eta vs tors. theta energy: -26.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -271.116287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.116287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.116287 (E_RNA)
where:
Base-Base interactions energy: -184.258
where: short stacking energy: -69.226
Base-Backbone interact. energy: 0.271
local terms energy: -87.128918
where:
bonds (distance) C4'-P energy: -17.910
bonds (distance) P-C4' energy: -19.456
flat angles C4'-P-C4' energy: -20.854
flat angles P-C4'-P energy: -7.865
tors. eta vs tors. theta energy: -21.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -260.001698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.001698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.001698 (E_RNA)
where:
Base-Base interactions energy: -171.413
where: short stacking energy: -78.441
Base-Backbone interact. energy: -0.087
local terms energy: -88.501128
where:
bonds (distance) C4'-P energy: -13.017
bonds (distance) P-C4' energy: -18.966
flat angles C4'-P-C4' energy: -18.946
flat angles P-C4'-P energy: -10.110
tors. eta vs tors. theta energy: -27.463
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: 8
=====================================
Write number: 209
Temperature: 1.250000
Total energy: -89.207253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.207253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.207253 (E_RNA)
where:
Base-Base interactions energy: -40.481
where: short stacking energy: -22.029
Base-Backbone interact. energy: -0.554
local terms energy: -48.172067
where:
bonds (distance) C4'-P energy: -13.740
bonds (distance) P-C4' energy: -19.454
flat angles C4'-P-C4' energy: -13.076
flat angles P-C4'-P energy: -0.744
tors. eta vs tors. theta energy: -1.159
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: 10
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -100.732020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.732020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.732020 (E_RNA)
where:
Base-Base interactions energy: -40.470
where: short stacking energy: -29.724
Base-Backbone interact. energy: -0.096
local terms energy: -60.166006
where:
bonds (distance) C4'-P energy: -15.678
bonds (distance) P-C4' energy: -11.370
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -12.393
tors. eta vs tors. theta energy: -5.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -89.907275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.907275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.907275 (E_RNA)
where:
Base-Base interactions energy: -26.607
where: short stacking energy: -26.543
Base-Backbone interact. energy: -0.900
local terms energy: -62.400638
where:
bonds (distance) C4'-P energy: -15.231
bonds (distance) P-C4' energy: -18.617
flat angles C4'-P-C4' energy: -15.891
flat angles P-C4'-P energy: -10.464
tors. eta vs tors. theta energy: -2.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -290.915934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.915934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.915934 (E_RNA)
where:
Base-Base interactions energy: -200.428
where: short stacking energy: -82.300
Base-Backbone interact. energy: -0.699
local terms energy: -89.789486
where:
bonds (distance) C4'-P energy: -14.704
bonds (distance) P-C4' energy: -18.918
flat angles C4'-P-C4' energy: -20.835
flat angles P-C4'-P energy: -12.581
tors. eta vs tors. theta energy: -22.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -289.557569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.557569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.557569 (E_RNA)
where:
Base-Base interactions energy: -189.350
where: short stacking energy: -80.102
Base-Backbone interact. energy: -0.100
local terms energy: -100.107158
where:
bonds (distance) C4'-P energy: -18.696
bonds (distance) P-C4' energy: -20.528
flat angles C4'-P-C4' energy: -19.949
flat angles P-C4'-P energy: -11.940
tors. eta vs tors. theta energy: -28.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -279.832204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.832204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.832204 (E_RNA)
where:
Base-Base interactions energy: -186.376
where: short stacking energy: -76.268
Base-Backbone interact. energy: -0.094
local terms energy: -93.362743
where:
bonds (distance) C4'-P energy: -19.661
bonds (distance) P-C4' energy: -17.980
flat angles C4'-P-C4' energy: -17.681
flat angles P-C4'-P energy: -13.178
tors. eta vs tors. theta energy: -24.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -280.027100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.027100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.027100 (E_RNA)
where:
Base-Base interactions energy: -191.557
where: short stacking energy: -75.281
Base-Backbone interact. energy: -0.395
local terms energy: -88.074626
where:
bonds (distance) C4'-P energy: -18.890
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -19.002
flat angles P-C4'-P energy: -14.122
tors. eta vs tors. theta energy: -18.953
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: 7
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -256.091182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.091182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.091182 (E_RNA)
where:
Base-Base interactions energy: -179.710
where: short stacking energy: -71.025
Base-Backbone interact. energy: -0.091
local terms energy: -76.290222
where:
bonds (distance) C4'-P energy: -13.052
bonds (distance) P-C4' energy: -14.369
flat angles C4'-P-C4' energy: -14.872
flat angles P-C4'-P energy: -11.017
tors. eta vs tors. theta energy: -22.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -265.408705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.408705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.408705 (E_RNA)
where:
Base-Base interactions energy: -182.680
where: short stacking energy: -63.409
Base-Backbone interact. energy: -0.306
local terms energy: -82.422359
where:
bonds (distance) C4'-P energy: -17.201
bonds (distance) P-C4' energy: -13.712
flat angles C4'-P-C4' energy: -18.582
flat angles P-C4'-P energy: -13.047
tors. eta vs tors. theta energy: -19.881
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: 210
Temperature: 1.200000
Total energy: -266.262669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.262669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.262669 (E_RNA)
where:
Base-Base interactions energy: -186.120
where: short stacking energy: -68.799
Base-Backbone interact. energy: -0.784
local terms energy: -79.358626
where:
bonds (distance) C4'-P energy: -4.569
bonds (distance) P-C4' energy: -17.879
flat angles C4'-P-C4' energy: -18.635
flat angles P-C4'-P energy: -16.726
tors. eta vs tors. theta energy: -21.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -91.951391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.951391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.951391 (E_RNA)
where:
Base-Base interactions energy: -40.541
where: short stacking energy: -32.028
Base-Backbone interact. energy: -0.207
local terms energy: -51.203672
where:
bonds (distance) C4'-P energy: -19.950
bonds (distance) P-C4' energy: -13.162
flat angles C4'-P-C4' energy: -12.923
flat angles P-C4'-P energy: -4.328
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: 9, replica: 6
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -93.761896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.761896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.761896 (E_RNA)
where:
Base-Base interactions energy: -36.460
where: short stacking energy: -27.859
Base-Backbone interact. energy: 1.649
local terms energy: -58.951861
where:
bonds (distance) C4'-P energy: -15.516
bonds (distance) P-C4' energy: -15.098
flat angles C4'-P-C4' energy: -11.380
flat angles P-C4'-P energy: -13.423
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: 10, replica: 10
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -89.372904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.372904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.372904 (E_RNA)
where:
Base-Base interactions energy: -35.939
where: short stacking energy: -32.057
Base-Backbone interact. energy: -0.199
local terms energy: -53.235395
where:
bonds (distance) C4'-P energy: -10.696
bonds (distance) P-C4' energy: -18.748
flat angles C4'-P-C4' energy: -11.591
flat angles P-C4'-P energy: -7.629
tors. eta vs tors. theta energy: -4.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -288.131869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.131869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.131869 (E_RNA)
where:
Base-Base interactions energy: -193.965
where: short stacking energy: -73.761
Base-Backbone interact. energy: -0.076
local terms energy: -94.091288
where:
bonds (distance) C4'-P energy: -20.277
bonds (distance) P-C4' energy: -18.444
flat angles C4'-P-C4' energy: -20.620
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: -23.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -284.201371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.201371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.201371 (E_RNA)
where:
Base-Base interactions energy: -193.152
where: short stacking energy: -79.175
Base-Backbone interact. energy: -0.004
local terms energy: -91.045357
where:
bonds (distance) C4'-P energy: -17.482
bonds (distance) P-C4' energy: -17.852
flat angles C4'-P-C4' energy: -19.763
flat angles P-C4'-P energy: -11.789
tors. eta vs tors. theta energy: -24.159
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: 3
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -287.254790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.254790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.254790 (E_RNA)
where:
Base-Base interactions energy: -192.257
where: short stacking energy: -70.922
Base-Backbone interact. energy: 0.209
local terms energy: -95.206472
where:
bonds (distance) C4'-P energy: -11.162
bonds (distance) P-C4' energy: -21.101
flat angles C4'-P-C4' energy: -21.346
flat angles P-C4'-P energy: -14.743
tors. eta vs tors. theta energy: -26.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -276.764427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.764427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.764427 (E_RNA)
where:
Base-Base interactions energy: -189.044
where: short stacking energy: -77.293
Base-Backbone interact. energy: -0.642
local terms energy: -87.078290
where:
bonds (distance) C4'-P energy: -17.962
bonds (distance) P-C4' energy: -11.273
flat angles C4'-P-C4' energy: -20.237
flat angles P-C4'-P energy: -12.643
tors. eta vs tors. theta energy: -24.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -278.439444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.439444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.439444 (E_RNA)
where:
Base-Base interactions energy: -184.168
where: short stacking energy: -77.400
Base-Backbone interact. energy: -0.003
local terms energy: -94.267634
where:
bonds (distance) C4'-P energy: -18.336
bonds (distance) P-C4' energy: -18.015
flat angles C4'-P-C4' energy: -20.383
flat angles P-C4'-P energy: -13.606
tors. eta vs tors. theta energy: -23.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -263.501499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.501499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.501499 (E_RNA)
where:
Base-Base interactions energy: -182.117
where: short stacking energy: -72.690
Base-Backbone interact. energy: -2.120
local terms energy: -79.264203
where:
bonds (distance) C4'-P energy: -11.474
bonds (distance) P-C4' energy: -13.017
flat angles C4'-P-C4' energy: -17.803
flat angles P-C4'-P energy: -12.147
tors. eta vs tors. theta energy: -24.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -244.209023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.209023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.209023 (E_RNA)
where:
Base-Base interactions energy: -171.224
where: short stacking energy: -58.163
Base-Backbone interact. energy: -0.391
local terms energy: -72.594604
where:
bonds (distance) C4'-P energy: -14.933
bonds (distance) P-C4' energy: -18.798
flat angles C4'-P-C4' energy: -17.261
flat angles P-C4'-P energy: -12.801
tors. eta vs tors. theta energy: -8.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -103.471310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.471310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.471310 (E_RNA)
where:
Base-Base interactions energy: -37.250
where: short stacking energy: -32.752
Base-Backbone interact. energy: -0.214
local terms energy: -66.006593
where:
bonds (distance) C4'-P energy: -14.415
bonds (distance) P-C4' energy: -15.569
flat angles C4'-P-C4' energy: -15.672
flat angles P-C4'-P energy: -10.797
tors. eta vs tors. theta energy: -9.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -92.877658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.877658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.877658 (E_RNA)
where:
Base-Base interactions energy: -35.946
where: short stacking energy: -35.946
Base-Backbone interact. energy: -0.102
local terms energy: -56.829456
where:
bonds (distance) C4'-P energy: -15.177
bonds (distance) P-C4' energy: -16.257
flat angles C4'-P-C4' energy: -7.735
flat angles P-C4'-P energy: -11.534
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: 10, replica: 10
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -98.918749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.918749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.918749 (E_RNA)
where:
Base-Base interactions energy: -38.133
where: short stacking energy: -25.214
Base-Backbone interact. energy: -0.095
local terms energy: -60.690623
where:
bonds (distance) C4'-P energy: -20.263
bonds (distance) P-C4' energy: -13.432
flat angles C4'-P-C4' energy: -11.750
flat angles P-C4'-P energy: -11.021
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: 4
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -288.330230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.330230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.330230 (E_RNA)
where:
Base-Base interactions energy: -193.008
where: short stacking energy: -84.140
Base-Backbone interact. energy: -1.215
local terms energy: -94.107972
where:
bonds (distance) C4'-P energy: -17.362
bonds (distance) P-C4' energy: -19.618
flat angles C4'-P-C4' energy: -19.988
flat angles P-C4'-P energy: -10.730
tors. eta vs tors. theta energy: -26.410
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: 1
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -285.965086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.965086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.965086 (E_RNA)
where:
Base-Base interactions energy: -199.194
where: short stacking energy: -75.919
Base-Backbone interact. energy: -0.016
local terms energy: -86.755355
where:
bonds (distance) C4'-P energy: -15.715
bonds (distance) P-C4' energy: -16.003
flat angles C4'-P-C4' energy: -18.379
flat angles P-C4'-P energy: -16.288
tors. eta vs tors. theta energy: -20.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -279.753216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.753216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.753216 (E_RNA)
where:
Base-Base interactions energy: -187.146
where: short stacking energy: -78.879
Base-Backbone interact. energy: -0.002
local terms energy: -92.605417
where:
bonds (distance) C4'-P energy: -18.419
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -12.810
tors. eta vs tors. theta energy: -27.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -282.819287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.819287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.819287 (E_RNA)
where:
Base-Base interactions energy: -206.245
where: short stacking energy: -82.837
Base-Backbone interact. energy: -0.052
local terms energy: -76.522320
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -15.250
flat angles C4'-P-C4' energy: -16.341
flat angles P-C4'-P energy: -11.331
tors. eta vs tors. theta energy: -21.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -276.576234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.576234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.576234 (E_RNA)
where:
Base-Base interactions energy: -190.857
where: short stacking energy: -83.374
Base-Backbone interact. energy: 0.199
local terms energy: -85.917737
where:
bonds (distance) C4'-P energy: -17.147
bonds (distance) P-C4' energy: -16.762
flat angles C4'-P-C4' energy: -16.977
flat angles P-C4'-P energy: -8.714
tors. eta vs tors. theta energy: -26.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -265.416933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.416933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.416933 (E_RNA)
where:
Base-Base interactions energy: -180.529
where: short stacking energy: -70.963
Base-Backbone interact. energy: 0.397
local terms energy: -85.284341
where:
bonds (distance) C4'-P energy: -17.320
bonds (distance) P-C4' energy: -19.957
flat angles C4'-P-C4' energy: -16.483
flat angles P-C4'-P energy: -8.526
tors. eta vs tors. theta energy: -22.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -265.201335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.201335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.201335 (E_RNA)
where:
Base-Base interactions energy: -185.889
where: short stacking energy: -75.176
Base-Backbone interact. energy: -0.857
local terms energy: -78.455565
where:
bonds (distance) C4'-P energy: -17.357
bonds (distance) P-C4' energy: -16.675
flat angles C4'-P-C4' energy: -14.134
flat angles P-C4'-P energy: -12.166
tors. eta vs tors. theta energy: -18.124
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: 8, replica: 6
=====================================
Write number: 212
Temperature: 1.250000
Total energy: -108.701514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.701514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.701514 (E_RNA)
where:
Base-Base interactions energy: -42.745
where: short stacking energy: -42.922
Base-Backbone interact. energy: -0.133
local terms energy: -65.823700
where:
bonds (distance) C4'-P energy: -15.166
bonds (distance) P-C4' energy: -14.193
flat angles C4'-P-C4' energy: -16.428
flat angles P-C4'-P energy: -9.251
tors. eta vs tors. theta energy: -10.786
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: 10
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -94.198997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.198997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.198997 (E_RNA)
where:
Base-Base interactions energy: -37.003
where: short stacking energy: -37.003
Base-Backbone interact. energy: -0.192
local terms energy: -57.003410
where:
bonds (distance) C4'-P energy: -14.071
bonds (distance) P-C4' energy: -15.139
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -10.847
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: 8
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -85.083296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.083296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.083296 (E_RNA)
where:
Base-Base interactions energy: -25.899
where: short stacking energy: -19.729
Base-Backbone interact. energy: -0.128
local terms energy: -59.057027
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -19.200
flat angles C4'-P-C4' energy: -17.772
flat angles P-C4'-P energy: -10.339
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: 1, replica: 4
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -292.626368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.626368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.626368 (E_RNA)
where:
Base-Base interactions energy: -195.249
where: short stacking energy: -80.951
Base-Backbone interact. energy: -0.228
local terms energy: -97.149089
where:
bonds (distance) C4'-P energy: -17.636
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -19.449
flat angles P-C4'-P energy: -16.149
tors. eta vs tors. theta energy: -25.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -289.180993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.180993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.180993 (E_RNA)
where:
Base-Base interactions energy: -198.189
where: short stacking energy: -81.815
Base-Backbone interact. energy: -0.003
local terms energy: -90.989115
where:
bonds (distance) C4'-P energy: -14.866
bonds (distance) P-C4' energy: -17.415
flat angles C4'-P-C4' energy: -19.431
flat angles P-C4'-P energy: -12.225
tors. eta vs tors. theta energy: -27.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -285.285477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.285477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.285477 (E_RNA)
where:
Base-Base interactions energy: -197.281
where: short stacking energy: -73.647
Base-Backbone interact. energy: -0.851
local terms energy: -87.153330
where:
bonds (distance) C4'-P energy: -13.513
bonds (distance) P-C4' energy: -20.065
flat angles C4'-P-C4' energy: -18.421
flat angles P-C4'-P energy: -13.668
tors. eta vs tors. theta energy: -21.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -280.522046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.522046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.522046 (E_RNA)
where:
Base-Base interactions energy: -186.672
where: short stacking energy: -77.549
Base-Backbone interact. energy: -0.032
local terms energy: -93.818593
where:
bonds (distance) C4'-P energy: -16.621
bonds (distance) P-C4' energy: -19.510
flat angles C4'-P-C4' energy: -20.214
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: -26.407
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: 3
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -285.902970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.902970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.902970 (E_RNA)
where:
Base-Base interactions energy: -191.165
where: short stacking energy: -85.795
Base-Backbone interact. energy: -0.350
local terms energy: -94.387813
where:
bonds (distance) C4'-P energy: -18.173
bonds (distance) P-C4' energy: -18.285
flat angles C4'-P-C4' energy: -17.368
flat angles P-C4'-P energy: -12.401
tors. eta vs tors. theta energy: -28.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -261.122029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.122029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.122029 (E_RNA)
where:
Base-Base interactions energy: -177.088
where: short stacking energy: -68.267
Base-Backbone interact. energy: 0.118
local terms energy: -84.151246
where:
bonds (distance) C4'-P energy: -16.953
bonds (distance) P-C4' energy: -18.372
flat angles C4'-P-C4' energy: -15.059
flat angles P-C4'-P energy: -12.732
tors. eta vs tors. theta energy: -21.035
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: 7, replica: 2
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -257.472824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.472824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.472824 (E_RNA)
where:
Base-Base interactions energy: -176.024
where: short stacking energy: -67.719
Base-Backbone interact. energy: -0.502
local terms energy: -80.946682
where:
bonds (distance) C4'-P energy: -13.732
bonds (distance) P-C4' energy: -18.008
flat angles C4'-P-C4' energy: -19.358
flat angles P-C4'-P energy: -11.807
tors. eta vs tors. theta energy: -18.042
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: 213
Temperature: 1.250000
Total energy: -102.415744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.415744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.415744 (E_RNA)
where:
Base-Base interactions energy: -50.154
where: short stacking energy: -30.889
Base-Backbone interact. energy: -0.229
local terms energy: -52.033610
where:
bonds (distance) C4'-P energy: -13.056
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -18.284
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: 3.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -105.870522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.870522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.870522 (E_RNA)
where:
Base-Base interactions energy: -48.603
where: short stacking energy: -31.911
Base-Backbone interact. energy: 1.655
local terms energy: -58.922425
where:
bonds (distance) C4'-P energy: -13.989
bonds (distance) P-C4' energy: -16.506
flat angles C4'-P-C4' energy: -15.108
flat angles P-C4'-P energy: -15.201
tors. eta vs tors. theta energy: 1.882
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: 8
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -91.899930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.899930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.899930 (E_RNA)
where:
Base-Base interactions energy: -33.189
where: short stacking energy: -29.580
Base-Backbone interact. energy: -0.238
local terms energy: -58.473373
where:
bonds (distance) C4'-P energy: -17.904
bonds (distance) P-C4' energy: -12.847
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -12.131
tors. eta vs tors. theta energy: -2.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -288.508654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.508654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.508654 (E_RNA)
where:
Base-Base interactions energy: -195.068
where: short stacking energy: -76.894
Base-Backbone interact. energy: -0.624
local terms energy: -92.816392
where:
bonds (distance) C4'-P energy: -21.545
bonds (distance) P-C4' energy: -19.436
flat angles C4'-P-C4' energy: -18.985
flat angles P-C4'-P energy: -9.166
tors. eta vs tors. theta energy: -23.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -279.981193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.981193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.981193 (E_RNA)
where:
Base-Base interactions energy: -188.290
where: short stacking energy: -76.735
Base-Backbone interact. energy: -0.821
local terms energy: -90.869634
where:
bonds (distance) C4'-P energy: -17.119
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -20.787
flat angles P-C4'-P energy: -11.955
tors. eta vs tors. theta energy: -23.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -284.391346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.391346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.391346 (E_RNA)
where:
Base-Base interactions energy: -190.714
where: short stacking energy: -79.772
Base-Backbone interact. energy: -0.032
local terms energy: -93.645260
where:
bonds (distance) C4'-P energy: -12.593
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -21.445
flat angles P-C4'-P energy: -12.245
tors. eta vs tors. theta energy: -29.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -279.736328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.736328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.736328 (E_RNA)
where:
Base-Base interactions energy: -186.880
where: short stacking energy: -69.486
Base-Backbone interact. energy: -0.502
local terms energy: -92.354193
where:
bonds (distance) C4'-P energy: -17.509
bonds (distance) P-C4' energy: -18.551
flat angles C4'-P-C4' energy: -18.815
flat angles P-C4'-P energy: -16.106
tors. eta vs tors. theta energy: -21.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -276.860180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.860180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.860180 (E_RNA)
where:
Base-Base interactions energy: -200.182
where: short stacking energy: -85.064
Base-Backbone interact. energy: -0.164
local terms energy: -76.513982
where:
bonds (distance) C4'-P energy: -13.235
bonds (distance) P-C4' energy: -19.518
flat angles C4'-P-C4' energy: -14.707
flat angles P-C4'-P energy: -6.861
tors. eta vs tors. theta energy: -22.194
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: 3
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -268.586311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.586311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.586311 (E_RNA)
where:
Base-Base interactions energy: -190.643
where: short stacking energy: -76.313
Base-Backbone interact. energy: -1.180
local terms energy: -76.762929
where:
bonds (distance) C4'-P energy: -11.546
bonds (distance) P-C4' energy: -12.126
flat angles C4'-P-C4' energy: -17.171
flat angles P-C4'-P energy: -12.839
tors. eta vs tors. theta energy: -23.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -257.242726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.242726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.242726 (E_RNA)
where:
Base-Base interactions energy: -182.717
where: short stacking energy: -67.036
Base-Backbone interact. energy: -0.291
local terms energy: -74.234760
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -16.722
flat angles C4'-P-C4' energy: -16.100
flat angles P-C4'-P energy: -7.009
tors. eta vs tors. theta energy: -19.491
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: 10
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -108.608799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.608799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.608799 (E_RNA)
where:
Base-Base interactions energy: -52.259
where: short stacking energy: -33.120
Base-Backbone interact. energy: -1.024
local terms energy: -55.326032
where:
bonds (distance) C4'-P energy: -16.853
bonds (distance) P-C4' energy: -19.005
flat angles C4'-P-C4' energy: -13.572
flat angles P-C4'-P energy: -4.009
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: 8
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -92.385370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.385370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.385370 (E_RNA)
where:
Base-Base interactions energy: -34.474
where: short stacking energy: -35.074
Base-Backbone interact. energy: -0.057
local terms energy: -57.854321
where:
bonds (distance) C4'-P energy: -17.383
bonds (distance) P-C4' energy: -7.339
flat angles C4'-P-C4' energy: -14.707
flat angles P-C4'-P energy: -13.171
tors. eta vs tors. theta energy: -5.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -97.117440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.117440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.117440 (E_RNA)
where:
Base-Base interactions energy: -38.355
where: short stacking energy: -38.355
Base-Backbone interact. energy: -0.246
local terms energy: -58.515718
where:
bonds (distance) C4'-P energy: -10.329
bonds (distance) P-C4' energy: -18.066
flat angles C4'-P-C4' energy: -14.038
flat angles P-C4'-P energy: -13.578
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: 1, replica: 9
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -287.382346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.382346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.382346 (E_RNA)
where:
Base-Base interactions energy: -188.239
where: short stacking energy: -73.528
Base-Backbone interact. energy: -1.013
local terms energy: -98.130089
where:
bonds (distance) C4'-P energy: -17.338
bonds (distance) P-C4' energy: -18.298
flat angles C4'-P-C4' energy: -20.669
flat angles P-C4'-P energy: -16.686
tors. eta vs tors. theta energy: -25.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -286.034652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.034652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.034652 (E_RNA)
where:
Base-Base interactions energy: -192.031
where: short stacking energy: -81.157
Base-Backbone interact. energy: -0.153
local terms energy: -93.850309
where:
bonds (distance) C4'-P energy: -17.337
bonds (distance) P-C4' energy: -19.708
flat angles C4'-P-C4' energy: -14.542
flat angles P-C4'-P energy: -12.956
tors. eta vs tors. theta energy: -29.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -285.846980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.846980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.846980 (E_RNA)
where:
Base-Base interactions energy: -193.651
where: short stacking energy: -85.666
Base-Backbone interact. energy: -0.433
local terms energy: -91.762714
where:
bonds (distance) C4'-P energy: -17.061
bonds (distance) P-C4' energy: -19.172
flat angles C4'-P-C4' energy: -19.568
flat angles P-C4'-P energy: -14.247
tors. eta vs tors. theta energy: -21.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -279.829048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.829048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.829048 (E_RNA)
where:
Base-Base interactions energy: -195.615
where: short stacking energy: -75.096
Base-Backbone interact. energy: -0.668
local terms energy: -83.546018
where:
bonds (distance) C4'-P energy: -16.169
bonds (distance) P-C4' energy: -20.647
flat angles C4'-P-C4' energy: -18.887
flat angles P-C4'-P energy: -8.320
tors. eta vs tors. theta energy: -19.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -267.439747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.439747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.439747 (E_RNA)
where:
Base-Base interactions energy: -177.363
where: short stacking energy: -73.794
Base-Backbone interact. energy: -1.035
local terms energy: -89.041856
where:
bonds (distance) C4'-P energy: -16.572
bonds (distance) P-C4' energy: -18.521
flat angles C4'-P-C4' energy: -20.812
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: -23.535
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: 2
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -251.863655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.863655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.863655 (E_RNA)
where:
Base-Base interactions energy: -176.242
where: short stacking energy: -72.731
Base-Backbone interact. energy: -0.013
local terms energy: -75.608794
where:
bonds (distance) C4'-P energy: -3.125
bonds (distance) P-C4' energy: -19.528
flat angles C4'-P-C4' energy: -17.156
flat angles P-C4'-P energy: -12.310
tors. eta vs tors. theta energy: -23.489
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: 3
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -267.426969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.426969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.426969 (E_RNA)
where:
Base-Base interactions energy: -181.621
where: short stacking energy: -76.643
Base-Backbone interact. energy: -0.076
local terms energy: -85.729376
where:
bonds (distance) C4'-P energy: -14.837
bonds (distance) P-C4' energy: -19.871
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -11.882
tors. eta vs tors. theta energy: -24.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -105.391635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.391635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.391635 (E_RNA)
where:
Base-Base interactions energy: -47.391
where: short stacking energy: -32.876
Base-Backbone interact. energy: 0.229
local terms energy: -58.228993
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -20.473
flat angles C4'-P-C4' energy: -9.530
flat angles P-C4'-P energy: -8.331
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: 9, replica: 10
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -90.872889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.872889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.872889 (E_RNA)
where:
Base-Base interactions energy: -39.136
where: short stacking energy: -34.033
Base-Backbone interact. energy: -0.182
local terms energy: -51.554821
where:
bonds (distance) C4'-P energy: -11.457
bonds (distance) P-C4' energy: -10.959
flat angles C4'-P-C4' energy: -16.088
flat angles P-C4'-P energy: -10.035
tors. eta vs tors. theta energy: -3.017
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: 6
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -95.946251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.946251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.946251 (E_RNA)
where:
Base-Base interactions energy: -37.986
where: short stacking energy: -37.986
Base-Backbone interact. energy: 0.608
local terms energy: -58.568099
where:
bonds (distance) C4'-P energy: -17.743
bonds (distance) P-C4' energy: -16.997
flat angles C4'-P-C4' energy: -12.231
flat angles P-C4'-P energy: -5.163
tors. eta vs tors. theta energy: -6.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -299.900998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.900998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.900998 (E_RNA)
where:
Base-Base interactions energy: -199.448
where: short stacking energy: -75.744
Base-Backbone interact. energy: -0.266
local terms energy: -100.186761
where:
bonds (distance) C4'-P energy: -19.929
bonds (distance) P-C4' energy: -21.961
flat angles C4'-P-C4' energy: -19.779
flat angles P-C4'-P energy: -16.084
tors. eta vs tors. theta energy: -22.434
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: 216
Temperature: 0.950000
Total energy: -283.877446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.877446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.877446 (E_RNA)
where:
Base-Base interactions energy: -185.920
where: short stacking energy: -69.679
Base-Backbone interact. energy: -2.707
local terms energy: -95.250496
where:
bonds (distance) C4'-P energy: -17.306
bonds (distance) P-C4' energy: -21.523
flat angles C4'-P-C4' energy: -19.854
flat angles P-C4'-P energy: -11.575
tors. eta vs tors. theta energy: -24.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -280.548335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.548335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.548335 (E_RNA)
where:
Base-Base interactions energy: -189.961
where: short stacking energy: -78.759
Base-Backbone interact. energy: -1.150
local terms energy: -89.437413
where:
bonds (distance) C4'-P energy: -18.651
bonds (distance) P-C4' energy: -17.787
flat angles C4'-P-C4' energy: -17.622
flat angles P-C4'-P energy: -9.861
tors. eta vs tors. theta energy: -25.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -281.518626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.518626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.518626 (E_RNA)
where:
Base-Base interactions energy: -195.084
where: short stacking energy: -81.285
Base-Backbone interact. energy: -0.005
local terms energy: -86.429200
where:
bonds (distance) C4'-P energy: -14.345
bonds (distance) P-C4' energy: -15.646
flat angles C4'-P-C4' energy: -17.921
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: -26.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -253.044510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.044510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.044510 (E_RNA)
where:
Base-Base interactions energy: -172.403
where: short stacking energy: -66.479
Base-Backbone interact. energy: -0.604
local terms energy: -80.037527
where:
bonds (distance) C4'-P energy: -13.031
bonds (distance) P-C4' energy: -17.367
flat angles C4'-P-C4' energy: -18.065
flat angles P-C4'-P energy: -12.721
tors. eta vs tors. theta energy: -18.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -263.415161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.415161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.415161 (E_RNA)
where:
Base-Base interactions energy: -169.224
where: short stacking energy: -70.639
Base-Backbone interact. energy: -0.149
local terms energy: -94.042822
where:
bonds (distance) C4'-P energy: -18.018
bonds (distance) P-C4' energy: -20.011
flat angles C4'-P-C4' energy: -16.936
flat angles P-C4'-P energy: -14.441
tors. eta vs tors. theta energy: -24.637
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: 3
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -267.476545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.476545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.476545 (E_RNA)
where:
Base-Base interactions energy: -181.674
where: short stacking energy: -77.494
Base-Backbone interact. energy: -0.533
local terms energy: -85.269364
where:
bonds (distance) C4'-P energy: -12.077
bonds (distance) P-C4' energy: -19.939
flat angles C4'-P-C4' energy: -21.357
flat angles P-C4'-P energy: -8.082
tors. eta vs tors. theta energy: -23.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -99.627898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.627898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.627898 (E_RNA)
where:
Base-Base interactions energy: -36.736
where: short stacking energy: -32.888
Base-Backbone interact. energy: -0.243
local terms energy: -62.648970
where:
bonds (distance) C4'-P energy: -16.051
bonds (distance) P-C4' energy: -13.462
flat angles C4'-P-C4' energy: -15.960
flat angles P-C4'-P energy: -15.283
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: 216
Temperature: 1.300000
Total energy: -90.129573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.129573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.129573 (E_RNA)
where:
Base-Base interactions energy: -34.396
where: short stacking energy: -17.147
Base-Backbone interact. energy: 0.284
local terms energy: -56.017589
where:
bonds (distance) C4'-P energy: -16.671
bonds (distance) P-C4' energy: -18.057
flat angles C4'-P-C4' energy: -14.126
flat angles P-C4'-P energy: -10.490
tors. eta vs tors. theta energy: 3.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -84.671003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.671003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.671003 (E_RNA)
where:
Base-Base interactions energy: -29.660
where: short stacking energy: -28.354
Base-Backbone interact. energy: -0.079
local terms energy: -54.931782
where:
bonds (distance) C4'-P energy: -16.870
bonds (distance) P-C4' energy: -13.325
flat angles C4'-P-C4' energy: -17.179
flat angles P-C4'-P energy: -5.803
tors. eta vs tors. theta energy: -1.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -284.755481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.755481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.755481 (E_RNA)
where:
Base-Base interactions energy: -196.988
where: short stacking energy: -82.345
Base-Backbone interact. energy: -0.401
local terms energy: -87.366189
where:
bonds (distance) C4'-P energy: -15.612
bonds (distance) P-C4' energy: -19.523
flat angles C4'-P-C4' energy: -17.491
flat angles P-C4'-P energy: -13.095
tors. eta vs tors. theta energy: -21.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -287.471433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.471433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.471433 (E_RNA)
where:
Base-Base interactions energy: -195.440
where: short stacking energy: -75.525
Base-Backbone interact. energy: -0.137
local terms energy: -91.894941
where:
bonds (distance) C4'-P energy: -18.398
bonds (distance) P-C4' energy: -16.743
flat angles C4'-P-C4' energy: -16.389
flat angles P-C4'-P energy: -13.591
tors. eta vs tors. theta energy: -26.774
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: 9
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -288.764017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.764017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.764017 (E_RNA)
where:
Base-Base interactions energy: -200.187
where: short stacking energy: -73.896
Base-Backbone interact. energy: -0.941
local terms energy: -87.635211
where:
bonds (distance) C4'-P energy: -14.228
bonds (distance) P-C4' energy: -19.201
flat angles C4'-P-C4' energy: -16.222
flat angles P-C4'-P energy: -14.299
tors. eta vs tors. theta energy: -23.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -274.358006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.358006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.358006 (E_RNA)
where:
Base-Base interactions energy: -184.178
where: short stacking energy: -70.619
Base-Backbone interact. energy: -0.513
local terms energy: -89.667025
where:
bonds (distance) C4'-P energy: -12.167
bonds (distance) P-C4' energy: -20.466
flat angles C4'-P-C4' energy: -17.195
flat angles P-C4'-P energy: -10.936
tors. eta vs tors. theta energy: -28.903
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: 217
Temperature: 1.100000
Total energy: -275.061962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.061962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.061962 (E_RNA)
where:
Base-Base interactions energy: -186.664
where: short stacking energy: -67.111
Base-Backbone interact. energy: -0.114
local terms energy: -88.284041
where:
bonds (distance) C4'-P energy: -19.492
bonds (distance) P-C4' energy: -11.627
flat angles C4'-P-C4' energy: -19.349
flat angles P-C4'-P energy: -15.158
tors. eta vs tors. theta energy: -22.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -264.289942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.289942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.289942 (E_RNA)
where:
Base-Base interactions energy: -184.373
where: short stacking energy: -71.200
Base-Backbone interact. energy: -0.450
local terms energy: -79.467386
where:
bonds (distance) C4'-P energy: -18.749
bonds (distance) P-C4' energy: -15.716
flat angles C4'-P-C4' energy: -10.721
flat angles P-C4'-P energy: -12.087
tors. eta vs tors. theta energy: -22.193
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: 217
Temperature: 1.200000
Total energy: -268.526992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.526992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.526992 (E_RNA)
where:
Base-Base interactions energy: -186.180
where: short stacking energy: -76.185
Base-Backbone interact. energy: -0.591
local terms energy: -81.756262
where:
bonds (distance) C4'-P energy: -13.206
bonds (distance) P-C4' energy: -15.137
flat angles C4'-P-C4' energy: -20.354
flat angles P-C4'-P energy: -10.027
tors. eta vs tors. theta energy: -23.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -108.987571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.987571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.987571 (E_RNA)
where:
Base-Base interactions energy: -49.160
where: short stacking energy: -49.160
Base-Backbone interact. energy: 0.853
local terms energy: -60.681246
where:
bonds (distance) C4'-P energy: -12.010
bonds (distance) P-C4' energy: -15.774
flat angles C4'-P-C4' energy: -15.625
flat angles P-C4'-P energy: -3.438
tors. eta vs tors. theta energy: -13.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -113.739191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.739191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.739191 (E_RNA)
where:
Base-Base interactions energy: -48.722
where: short stacking energy: -35.354
Base-Backbone interact. energy: -0.024
local terms energy: -64.993389
where:
bonds (distance) C4'-P energy: -16.985
bonds (distance) P-C4' energy: -18.073
flat angles C4'-P-C4' energy: -16.424
flat angles P-C4'-P energy: -8.370
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: 10, replica: 10
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -143.506284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.506284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.506284 (E_RNA)
where:
Base-Base interactions energy: -76.355
where: short stacking energy: -40.722
Base-Backbone interact. energy: -0.321
local terms energy: -66.829471
where:
bonds (distance) C4'-P energy: -16.675
bonds (distance) P-C4' energy: -17.612
flat angles C4'-P-C4' energy: -17.158
flat angles P-C4'-P energy: -7.632
tors. eta vs tors. theta energy: -7.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -295.539916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.539916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.539916 (E_RNA)
where:
Base-Base interactions energy: -201.912
where: short stacking energy: -85.539
Base-Backbone interact. energy: 0.124
local terms energy: -93.752150
where:
bonds (distance) C4'-P energy: -14.854
bonds (distance) P-C4' energy: -20.700
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -16.192
tors. eta vs tors. theta energy: -26.698
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: 7
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -285.644156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.644156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.644156 (E_RNA)
where:
Base-Base interactions energy: -197.834
where: short stacking energy: -70.075
Base-Backbone interact. energy: -0.366
local terms energy: -87.444534
where:
bonds (distance) C4'-P energy: -17.544
bonds (distance) P-C4' energy: -15.658
flat angles C4'-P-C4' energy: -18.024
flat angles P-C4'-P energy: -14.705
tors. eta vs tors. theta energy: -21.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -283.834024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.834024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.834024 (E_RNA)
where:
Base-Base interactions energy: -190.037
where: short stacking energy: -81.048
Base-Backbone interact. energy: -0.005
local terms energy: -93.792099
where:
bonds (distance) C4'-P energy: -18.796
bonds (distance) P-C4' energy: -19.042
flat angles C4'-P-C4' energy: -20.514
flat angles P-C4'-P energy: -10.344
tors. eta vs tors. theta energy: -25.096
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: 4, replica: 1
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -269.860689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.860689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.860689 (E_RNA)
where:
Base-Base interactions energy: -178.150
where: short stacking energy: -78.130
Base-Backbone interact. energy: -0.091
local terms energy: -91.618869
where:
bonds (distance) C4'-P energy: -15.694
bonds (distance) P-C4' energy: -17.969
flat angles C4'-P-C4' energy: -18.238
flat angles P-C4'-P energy: -13.690
tors. eta vs tors. theta energy: -26.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -276.349982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.349982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.349982 (E_RNA)
where:
Base-Base interactions energy: -191.945
where: short stacking energy: -76.940
Base-Backbone interact. energy: -1.002
local terms energy: -83.402509
where:
bonds (distance) C4'-P energy: -17.471
bonds (distance) P-C4' energy: -16.688
flat angles C4'-P-C4' energy: -16.114
flat angles P-C4'-P energy: -12.626
tors. eta vs tors. theta energy: -20.503
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: 6, replica: 2
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -264.193939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.193939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.193939 (E_RNA)
where:
Base-Base interactions energy: -180.349
where: short stacking energy: -64.675
Base-Backbone interact. energy: -0.060
local terms energy: -83.784686
where:
bonds (distance) C4'-P energy: -14.999
bonds (distance) P-C4' energy: -13.707
flat angles C4'-P-C4' energy: -21.049
flat angles P-C4'-P energy: -12.979
tors. eta vs tors. theta energy: -21.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -258.648866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.648866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.648866 (E_RNA)
where:
Base-Base interactions energy: -182.066
where: short stacking energy: -68.896
Base-Backbone interact. energy: -1.722
local terms energy: -74.861327
where:
bonds (distance) C4'-P energy: -11.985
bonds (distance) P-C4' energy: -18.276
flat angles C4'-P-C4' energy: -17.227
flat angles P-C4'-P energy: -10.045
tors. eta vs tors. theta energy: -17.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -94.536313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.536313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.536313 (E_RNA)
where:
Base-Base interactions energy: -41.221
where: short stacking energy: -27.991
Base-Backbone interact. energy: -0.093
local terms energy: -53.221408
where:
bonds (distance) C4'-P energy: -12.572
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -13.068
flat angles P-C4'-P energy: -6.876
tors. eta vs tors. theta energy: -4.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -87.409521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.409521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.409521 (E_RNA)
where:
Base-Base interactions energy: -39.250
where: short stacking energy: -20.415
Base-Backbone interact. energy: -0.478
local terms energy: -47.681521
where:
bonds (distance) C4'-P energy: -18.551
bonds (distance) P-C4' energy: -10.950
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -4.084
tors. eta vs tors. theta energy: 0.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -87.459939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.459939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.459939 (E_RNA)
where:
Base-Base interactions energy: -42.838
where: short stacking energy: -27.531
Base-Backbone interact. energy: -0.086
local terms energy: -44.535624
where:
bonds (distance) C4'-P energy: -18.494
bonds (distance) P-C4' energy: -12.175
flat angles C4'-P-C4' energy: -12.400
flat angles P-C4'-P energy: -6.571
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: 1, replica: 4
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -291.776069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.776069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.776069 (E_RNA)
where:
Base-Base interactions energy: -200.654
where: short stacking energy: -75.314
Base-Backbone interact. energy: -1.214
local terms energy: -89.908340
where:
bonds (distance) C4'-P energy: -17.129
bonds (distance) P-C4' energy: -18.518
flat angles C4'-P-C4' energy: -17.367
flat angles P-C4'-P energy: -13.343
tors. eta vs tors. theta energy: -23.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -286.949311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.949311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.949311 (E_RNA)
where:
Base-Base interactions energy: -191.023
where: short stacking energy: -88.157
Base-Backbone interact. energy: -1.153
local terms energy: -94.774021
where:
bonds (distance) C4'-P energy: -18.805
bonds (distance) P-C4' energy: -18.349
flat angles C4'-P-C4' energy: -18.073
flat angles P-C4'-P energy: -14.103
tors. eta vs tors. theta energy: -25.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -287.110507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.110507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.110507 (E_RNA)
where:
Base-Base interactions energy: -185.475
where: short stacking energy: -82.890
Base-Backbone interact. energy: -1.822
local terms energy: -99.813891
where:
bonds (distance) C4'-P energy: -18.854
bonds (distance) P-C4' energy: -20.646
flat angles C4'-P-C4' energy: -21.033
flat angles P-C4'-P energy: -13.710
tors. eta vs tors. theta energy: -25.571
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: 219
Temperature: 1.050000
Total energy: -277.038405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.038405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.038405 (E_RNA)
where:
Base-Base interactions energy: -189.127
where: short stacking energy: -79.588
Base-Backbone interact. energy: -0.255
local terms energy: -87.657234
where:
bonds (distance) C4'-P energy: -18.173
bonds (distance) P-C4' energy: -15.872
flat angles C4'-P-C4' energy: -14.911
flat angles P-C4'-P energy: -12.896
tors. eta vs tors. theta energy: -25.805
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: 5, replica: 5
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -274.910988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.910988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.910988 (E_RNA)
where:
Base-Base interactions energy: -188.569
where: short stacking energy: -79.184
Base-Backbone interact. energy: -0.001
local terms energy: -86.341378
where:
bonds (distance) C4'-P energy: -13.111
bonds (distance) P-C4' energy: -16.636
flat angles C4'-P-C4' energy: -16.044
flat angles P-C4'-P energy: -13.043
tors. eta vs tors. theta energy: -27.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -257.860846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.860846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.860846 (E_RNA)
where:
Base-Base interactions energy: -174.492
where: short stacking energy: -76.683
Base-Backbone interact. energy: -0.291
local terms energy: -83.077680
where:
bonds (distance) C4'-P energy: -15.363
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -19.345
flat angles P-C4'-P energy: -9.210
tors. eta vs tors. theta energy: -21.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -257.765190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.765190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.765190 (E_RNA)
where:
Base-Base interactions energy: -178.585
where: short stacking energy: -72.736
Base-Backbone interact. energy: -0.031
local terms energy: -79.149288
where:
bonds (distance) C4'-P energy: -10.782
bonds (distance) P-C4' energy: -17.420
flat angles C4'-P-C4' energy: -18.075
flat angles P-C4'-P energy: -8.054
tors. eta vs tors. theta energy: -24.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -94.235727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.235727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.235727 (E_RNA)
where:
Base-Base interactions energy: -39.167
where: short stacking energy: -17.772
Base-Backbone interact. energy: -1.680
local terms energy: -53.388919
where:
bonds (distance) C4'-P energy: -21.685
bonds (distance) P-C4' energy: -12.155
flat angles C4'-P-C4' energy: -12.386
flat angles P-C4'-P energy: -6.994
tors. eta vs tors. theta energy: -0.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -108.697922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.697922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.697922 (E_RNA)
where:
Base-Base interactions energy: -53.998
where: short stacking energy: -24.151
Base-Backbone interact. energy: -0.367
local terms energy: -54.333758
where:
bonds (distance) C4'-P energy: -13.947
bonds (distance) P-C4' energy: -17.707
flat angles C4'-P-C4' energy: -15.643
flat angles P-C4'-P energy: -5.795
tors. eta vs tors. theta energy: -1.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -97.403967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.403967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.403967 (E_RNA)
where:
Base-Base interactions energy: -37.916
where: short stacking energy: -38.616
Base-Backbone interact. energy: 0.918
local terms energy: -60.406050
where:
bonds (distance) C4'-P energy: -10.171
bonds (distance) P-C4' energy: -14.613
flat angles C4'-P-C4' energy: -18.651
flat angles P-C4'-P energy: -10.666
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: 1, replica: 4
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -297.341689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.341689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.341689 (E_RNA)
where:
Base-Base interactions energy: -199.507
where: short stacking energy: -84.338
Base-Backbone interact. energy: -0.966
local terms energy: -96.868925
where:
bonds (distance) C4'-P energy: -16.989
bonds (distance) P-C4' energy: -22.899
flat angles C4'-P-C4' energy: -19.568
flat angles P-C4'-P energy: -11.629
tors. eta vs tors. theta energy: -25.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -290.294893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.294893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.294893 (E_RNA)
where:
Base-Base interactions energy: -194.610
where: short stacking energy: -86.965
Base-Backbone interact. energy: -0.082
local terms energy: -95.603271
where:
bonds (distance) C4'-P energy: -17.041
bonds (distance) P-C4' energy: -15.829
flat angles C4'-P-C4' energy: -20.138
flat angles P-C4'-P energy: -14.715
tors. eta vs tors. theta energy: -27.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -288.289806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.289806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.289806 (E_RNA)
where:
Base-Base interactions energy: -203.107
where: short stacking energy: -77.590
Base-Backbone interact. energy: -0.102
local terms energy: -85.080696
where:
bonds (distance) C4'-P energy: -12.829
bonds (distance) P-C4' energy: -17.967
flat angles C4'-P-C4' energy: -20.242
flat angles P-C4'-P energy: -11.771
tors. eta vs tors. theta energy: -22.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -275.723309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.723309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.723309 (E_RNA)
where:
Base-Base interactions energy: -184.548
where: short stacking energy: -83.836
Base-Backbone interact. energy: -0.122
local terms energy: -91.053776
where:
bonds (distance) C4'-P energy: -16.891
bonds (distance) P-C4' energy: -19.510
flat angles C4'-P-C4' energy: -20.815
flat angles P-C4'-P energy: -9.962
tors. eta vs tors. theta energy: -23.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -276.231151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.231151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.231151 (E_RNA)
where:
Base-Base interactions energy: -189.888
where: short stacking energy: -71.330
Base-Backbone interact. energy: -1.803
local terms energy: -84.539943
where:
bonds (distance) C4'-P energy: -12.435
bonds (distance) P-C4' energy: -17.265
flat angles C4'-P-C4' energy: -19.068
flat angles P-C4'-P energy: -14.914
tors. eta vs tors. theta energy: -20.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -267.640529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.640529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.640529 (E_RNA)
where:
Base-Base interactions energy: -190.308
where: short stacking energy: -77.612
Base-Backbone interact. energy: -0.440
local terms energy: -76.891864
where:
bonds (distance) C4'-P energy: -13.055
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -17.062
flat angles P-C4'-P energy: -6.971
tors. eta vs tors. theta energy: -21.992
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: 7, replica: 3
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -268.210958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.210958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.210958 (E_RNA)
where:
Base-Base interactions energy: -177.303
where: short stacking energy: -79.260
Base-Backbone interact. energy: -0.002
local terms energy: -90.906369
where:
bonds (distance) C4'-P energy: -18.708
bonds (distance) P-C4' energy: -13.760
flat angles C4'-P-C4' energy: -21.625
flat angles P-C4'-P energy: -11.419
tors. eta vs tors. theta energy: -25.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -94.292373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.292373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.292373 (E_RNA)
where:
Base-Base interactions energy: -31.801
where: short stacking energy: -27.390
Base-Backbone interact. energy: -0.118
local terms energy: -62.373226
where:
bonds (distance) C4'-P energy: -17.048
bonds (distance) P-C4' energy: -17.430
flat angles C4'-P-C4' energy: -12.237
flat angles P-C4'-P energy: -14.458
tors. eta vs tors. theta energy: -1.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -117.218919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.218919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.218919 (E_RNA)
where:
Base-Base interactions energy: -46.729
where: short stacking energy: -35.735
Base-Backbone interact. energy: -0.205
local terms energy: -70.284815
where:
bonds (distance) C4'-P energy: -18.489
bonds (distance) P-C4' energy: -15.996
flat angles C4'-P-C4' energy: -13.234
flat angles P-C4'-P energy: -12.480
tors. eta vs tors. theta energy: -10.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -88.616777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.616777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.616777 (E_RNA)
where:
Base-Base interactions energy: -24.904
where: short stacking energy: -23.731
Base-Backbone interact. energy: -0.011
local terms energy: -63.702310
where:
bonds (distance) C4'-P energy: -15.751
bonds (distance) P-C4' energy: -17.301
flat angles C4'-P-C4' energy: -19.252
flat angles P-C4'-P energy: -6.982
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: 1, replica: 4
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -289.592773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.592773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.592773 (E_RNA)
where:
Base-Base interactions energy: -199.707
where: short stacking energy: -81.309
Base-Backbone interact. energy: -1.288
local terms energy: -88.597191
where:
bonds (distance) C4'-P energy: -19.916
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -20.173
flat angles P-C4'-P energy: -12.726
tors. eta vs tors. theta energy: -19.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -290.570041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.570041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.570041 (E_RNA)
where:
Base-Base interactions energy: -202.307
where: short stacking energy: -79.641
Base-Backbone interact. energy: -0.332
local terms energy: -87.931471
where:
bonds (distance) C4'-P energy: -13.844
bonds (distance) P-C4' energy: -17.272
flat angles C4'-P-C4' energy: -19.826
flat angles P-C4'-P energy: -14.678
tors. eta vs tors. theta energy: -22.312
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: 1
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -287.021335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.021335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.021335 (E_RNA)
where:
Base-Base interactions energy: -191.509
where: short stacking energy: -80.085
Base-Backbone interact. energy: -1.121
local terms energy: -94.391304
where:
bonds (distance) C4'-P energy: -19.341
bonds (distance) P-C4' energy: -17.750
flat angles C4'-P-C4' energy: -20.499
flat angles P-C4'-P energy: -11.336
tors. eta vs tors. theta energy: -25.465
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: 7
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -274.183410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.183410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.183410 (E_RNA)
where:
Base-Base interactions energy: -185.222
where: short stacking energy: -78.490
Base-Backbone interact. energy: -1.590
local terms energy: -87.372208
where:
bonds (distance) C4'-P energy: -16.552
bonds (distance) P-C4' energy: -16.567
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -13.029
tors. eta vs tors. theta energy: -27.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -275.191481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.191481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.191481 (E_RNA)
where:
Base-Base interactions energy: -181.826
where: short stacking energy: -74.072
Base-Backbone interact. energy: -0.715
local terms energy: -92.650553
where:
bonds (distance) C4'-P energy: -17.640
bonds (distance) P-C4' energy: -16.877
flat angles C4'-P-C4' energy: -19.082
flat angles P-C4'-P energy: -12.803
tors. eta vs tors. theta energy: -26.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -258.608076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.608076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.608076 (E_RNA)
where:
Base-Base interactions energy: -172.443
where: short stacking energy: -72.185
Base-Backbone interact. energy: -0.070
local terms energy: -86.095640
where:
bonds (distance) C4'-P energy: -13.280
bonds (distance) P-C4' energy: -21.880
flat angles C4'-P-C4' energy: -19.629
flat angles P-C4'-P energy: -10.649
tors. eta vs tors. theta energy: -20.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -259.535442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.535442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.535442 (E_RNA)
where:
Base-Base interactions energy: -180.025
where: short stacking energy: -80.218
Base-Backbone interact. energy: -0.019
local terms energy: -79.490785
where:
bonds (distance) C4'-P energy: -14.098
bonds (distance) P-C4' energy: -11.585
flat angles C4'-P-C4' energy: -19.255
flat angles P-C4'-P energy: -10.633
tors. eta vs tors. theta energy: -23.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 221
Temperature: 1.250000
Total energy: -103.828540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.828540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.828540 (E_RNA)
where:
Base-Base interactions energy: -37.020
where: short stacking energy: -28.327
Base-Backbone interact. energy: -0.293
local terms energy: -66.514899
where:
bonds (distance) C4'-P energy: -14.937
bonds (distance) P-C4' energy: -13.944
flat angles C4'-P-C4' energy: -16.168
flat angles P-C4'-P energy: -14.021
tors. eta vs tors. theta energy: -7.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -96.331283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.331283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.331283 (E_RNA)
where:
Base-Base interactions energy: -40.136
where: short stacking energy: -39.452
Base-Backbone interact. energy: -0.025
local terms energy: -56.169939
where:
bonds (distance) C4'-P energy: -13.459
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -13.146
flat angles P-C4'-P energy: -11.424
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: 10, replica: 6
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -93.493615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.493615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.493615 (E_RNA)
where:
Base-Base interactions energy: -33.422
where: short stacking energy: -30.970
Base-Backbone interact. energy: -0.090
local terms energy: -59.981340
where:
bonds (distance) C4'-P energy: -18.484
bonds (distance) P-C4' energy: -20.207
flat angles C4'-P-C4' energy: -8.281
flat angles P-C4'-P energy: -7.368
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: 1, replica: 9
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -286.235367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.235367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.235367 (E_RNA)
where:
Base-Base interactions energy: -195.916
where: short stacking energy: -74.843
Base-Backbone interact. energy: -0.203
local terms energy: -90.116182
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -17.885
flat angles C4'-P-C4' energy: -20.254
flat angles P-C4'-P energy: -12.611
tors. eta vs tors. theta energy: -25.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -283.352090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.352090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.352090 (E_RNA)
where:
Base-Base interactions energy: -196.865
where: short stacking energy: -83.797
Base-Backbone interact. energy: -0.551
local terms energy: -85.935904
where:
bonds (distance) C4'-P energy: -18.327
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -17.750
flat angles P-C4'-P energy: -11.484
tors. eta vs tors. theta energy: -24.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -279.660940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.660940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.660940 (E_RNA)
where:
Base-Base interactions energy: -190.153
where: short stacking energy: -75.173
Base-Backbone interact. energy: -1.248
local terms energy: -88.260018
where:
bonds (distance) C4'-P energy: -14.981
bonds (distance) P-C4' energy: -19.445
flat angles C4'-P-C4' energy: -19.005
flat angles P-C4'-P energy: -12.455
tors. eta vs tors. theta energy: -22.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -272.892893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.892893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.892893 (E_RNA)
where:
Base-Base interactions energy: -183.535
where: short stacking energy: -80.213
Base-Backbone interact. energy: -0.005
local terms energy: -89.352542
where:
bonds (distance) C4'-P energy: -17.893
bonds (distance) P-C4' energy: -17.195
flat angles C4'-P-C4' energy: -17.805
flat angles P-C4'-P energy: -12.185
tors. eta vs tors. theta energy: -24.274
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: 5, replica: 5
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -264.439206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.439206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.439206 (E_RNA)
where:
Base-Base interactions energy: -181.101
where: short stacking energy: -74.654
Base-Backbone interact. energy: 0.370
local terms energy: -83.708418
where:
bonds (distance) C4'-P energy: -14.304
bonds (distance) P-C4' energy: -16.462
flat angles C4'-P-C4' energy: -20.846
flat angles P-C4'-P energy: -9.620
tors. eta vs tors. theta energy: -22.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -270.902128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.902128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.902128 (E_RNA)
where:
Base-Base interactions energy: -170.254
where: short stacking energy: -71.085
Base-Backbone interact. energy: -0.107
local terms energy: -100.540842
where:
bonds (distance) C4'-P energy: -18.865
bonds (distance) P-C4' energy: -21.886
flat angles C4'-P-C4' energy: -18.347
flat angles P-C4'-P energy: -14.407
tors. eta vs tors. theta energy: -27.036
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: 3
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -253.833321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.833321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.833321 (E_RNA)
where:
Base-Base interactions energy: -179.679
where: short stacking energy: -63.886
Base-Backbone interact. energy: -0.024
local terms energy: -74.130134
where:
bonds (distance) C4'-P energy: -16.133
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -13.518
flat angles P-C4'-P energy: -10.891
tors. eta vs tors. theta energy: -16.126
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -92.742892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.742892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.742892 (E_RNA)
where:
Base-Base interactions energy: -32.515
where: short stacking energy: -32.515
Base-Backbone interact. energy: -0.925
local terms energy: -59.303423
where:
bonds (distance) C4'-P energy: -17.093
bonds (distance) P-C4' energy: -16.783
flat angles C4'-P-C4' energy: -19.045
flat angles P-C4'-P energy: -7.275
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: 9, replica: 6
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -97.326463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.326463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.326463 (E_RNA)
where:
Base-Base interactions energy: -37.506
where: short stacking energy: -37.506
Base-Backbone interact. energy: -0.085
local terms energy: -59.735116
where:
bonds (distance) C4'-P energy: -19.598
bonds (distance) P-C4' energy: -11.980
flat angles C4'-P-C4' energy: -14.519
flat angles P-C4'-P energy: -7.415
tors. eta vs tors. theta energy: -6.222
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: 10, replica: 10
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -83.053716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.053716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.053716 (E_RNA)
where:
Base-Base interactions energy: -32.415
where: short stacking energy: -25.453
Base-Backbone interact. energy: 1.077
local terms energy: -51.714935
where:
bonds (distance) C4'-P energy: -17.788
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -10.133
flat angles P-C4'-P energy: -8.217
tors. eta vs tors. theta energy: 0.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -286.469745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.469745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.469745 (E_RNA)
where:
Base-Base interactions energy: -189.381
where: short stacking energy: -76.187
Base-Backbone interact. energy: -0.391
local terms energy: -96.697473
where:
bonds (distance) C4'-P energy: -20.899
bonds (distance) P-C4' energy: -18.085
flat angles C4'-P-C4' energy: -19.939
flat angles P-C4'-P energy: -16.314
tors. eta vs tors. theta energy: -21.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -280.047970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.047970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.047970 (E_RNA)
where:
Base-Base interactions energy: -185.751
where: short stacking energy: -84.867
Base-Backbone interact. energy: -0.005
local terms energy: -94.292111
where:
bonds (distance) C4'-P energy: -18.824
bonds (distance) P-C4' energy: -18.781
flat angles C4'-P-C4' energy: -19.240
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -25.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -280.473234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.473234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.473234 (E_RNA)
where:
Base-Base interactions energy: -187.751
where: short stacking energy: -79.825
Base-Backbone interact. energy: -0.750
local terms energy: -91.971894
where:
bonds (distance) C4'-P energy: -19.055
bonds (distance) P-C4' energy: -18.114
flat angles C4'-P-C4' energy: -19.367
flat angles P-C4'-P energy: -12.182
tors. eta vs tors. theta energy: -23.254
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: 5
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -267.340170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.340170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.340170 (E_RNA)
where:
Base-Base interactions energy: -180.150
where: short stacking energy: -84.650
Base-Backbone interact. energy: 0.505
local terms energy: -87.695459
where:
bonds (distance) C4'-P energy: -16.116
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -15.692
flat angles P-C4'-P energy: -13.445
tors. eta vs tors. theta energy: -25.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -270.057791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.057791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.057791 (E_RNA)
where:
Base-Base interactions energy: -181.917
where: short stacking energy: -74.715
Base-Backbone interact. energy: -0.849
local terms energy: -87.292564
where:
bonds (distance) C4'-P energy: -15.843
bonds (distance) P-C4' energy: -17.690
flat angles C4'-P-C4' energy: -18.934
flat angles P-C4'-P energy: -8.382
tors. eta vs tors. theta energy: -26.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -264.084704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.084704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.084704 (E_RNA)
where:
Base-Base interactions energy: -181.314
where: short stacking energy: -79.084
Base-Backbone interact. energy: -0.128
local terms energy: -82.641820
where:
bonds (distance) C4'-P energy: -17.221
bonds (distance) P-C4' energy: -13.206
flat angles C4'-P-C4' energy: -15.797
flat angles P-C4'-P energy: -14.003
tors. eta vs tors. theta energy: -22.414
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: 2
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -256.037785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.037785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.037785 (E_RNA)
where:
Base-Base interactions energy: -173.787
where: short stacking energy: -76.185
Base-Backbone interact. energy: -0.499
local terms energy: -81.751440
where:
bonds (distance) C4'-P energy: -13.157
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -19.779
flat angles P-C4'-P energy: -9.157
tors. eta vs tors. theta energy: -23.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -159.562445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.562445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.562445 (E_RNA)
where:
Base-Base interactions energy: -86.441
where: short stacking energy: -40.486
Base-Backbone interact. energy: -0.121
local terms energy: -73.000847
where:
bonds (distance) C4'-P energy: -16.349
bonds (distance) P-C4' energy: -19.510
flat angles C4'-P-C4' energy: -20.137
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -7.028
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: 9, replica: 6
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -95.544377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.544377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.544377 (E_RNA)
where:
Base-Base interactions energy: -46.556
where: short stacking energy: -28.439
Base-Backbone interact. energy: -0.282
local terms energy: -48.706632
where:
bonds (distance) C4'-P energy: -12.528
bonds (distance) P-C4' energy: -19.929
flat angles C4'-P-C4' energy: -11.131
flat angles P-C4'-P energy: -4.247
tors. eta vs tors. theta energy: -0.872
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: 10
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -94.512438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.512438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.512438 (E_RNA)
where:
Base-Base interactions energy: -48.381
where: short stacking energy: -41.832
Base-Backbone interact. energy: 0.935
local terms energy: -47.065793
where:
bonds (distance) C4'-P energy: -13.782
bonds (distance) P-C4' energy: -14.906
flat angles C4'-P-C4' energy: -9.321
flat angles P-C4'-P energy: -4.759
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: 1, replica: 9
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -290.918945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.918945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.918945 (E_RNA)
where:
Base-Base interactions energy: -196.196
where: short stacking energy: -85.018
Base-Backbone interact. energy: -0.156
local terms energy: -94.566924
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -19.507
flat angles C4'-P-C4' energy: -21.708
flat angles P-C4'-P energy: -11.274
tors. eta vs tors. theta energy: -27.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -293.064338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.064338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.064338 (E_RNA)
where:
Base-Base interactions energy: -196.868
where: short stacking energy: -78.588
Base-Backbone interact. energy: -0.670
local terms energy: -95.526106
where:
bonds (distance) C4'-P energy: -19.376
bonds (distance) P-C4' energy: -18.080
flat angles C4'-P-C4' energy: -22.828
flat angles P-C4'-P energy: -11.140
tors. eta vs tors. theta energy: -24.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -278.305542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.305542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.305542 (E_RNA)
where:
Base-Base interactions energy: -183.011
where: short stacking energy: -81.339
Base-Backbone interact. energy: 0.311
local terms energy: -95.605504
where:
bonds (distance) C4'-P energy: -18.195
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -19.253
flat angles P-C4'-P energy: -16.046
tors. eta vs tors. theta energy: -27.632
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: 4
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -270.268714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.268714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.268714 (E_RNA)
where:
Base-Base interactions energy: -180.809
where: short stacking energy: -69.584
Base-Backbone interact. energy: -1.150
local terms energy: -88.309584
where:
bonds (distance) C4'-P energy: -11.181
bonds (distance) P-C4' energy: -20.827
flat angles C4'-P-C4' energy: -18.215
flat angles P-C4'-P energy: -12.694
tors. eta vs tors. theta energy: -25.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -261.985159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.985159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.985159 (E_RNA)
where:
Base-Base interactions energy: -174.862
where: short stacking energy: -70.394
Base-Backbone interact. energy: -0.578
local terms energy: -86.545641
where:
bonds (distance) C4'-P energy: -19.636
bonds (distance) P-C4' energy: -21.574
flat angles C4'-P-C4' energy: -15.603
flat angles P-C4'-P energy: -8.225
tors. eta vs tors. theta energy: -21.508
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: 3
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -279.865080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.865080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.865080 (E_RNA)
where:
Base-Base interactions energy: -187.493
where: short stacking energy: -71.979
Base-Backbone interact. energy: -0.260
local terms energy: -92.111376
where:
bonds (distance) C4'-P energy: -16.950
bonds (distance) P-C4' energy: -21.008
flat angles C4'-P-C4' energy: -17.790
flat angles P-C4'-P energy: -15.475
tors. eta vs tors. theta energy: -20.888
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: 2
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -238.560906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.560906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.560906 (E_RNA)
where:
Base-Base interactions energy: -157.745
where: short stacking energy: -64.998
Base-Backbone interact. energy: -0.306
local terms energy: -80.510374
where:
bonds (distance) C4'-P energy: -10.462
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -20.731
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: -23.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -153.324271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.324271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.324271 (E_RNA)
where:
Base-Base interactions energy: -87.525
where: short stacking energy: -43.707
Base-Backbone interact. energy: -0.752
local terms energy: -65.047119
where:
bonds (distance) C4'-P energy: -15.391
bonds (distance) P-C4' energy: -17.588
flat angles C4'-P-C4' energy: -14.108
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: -8.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -98.001238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.001238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.001238 (E_RNA)
where:
Base-Base interactions energy: -35.218
where: short stacking energy: -35.218
Base-Backbone interact. energy: 0.271
local terms energy: -63.054490
where:
bonds (distance) C4'-P energy: -15.644
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -13.425
flat angles P-C4'-P energy: -11.578
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: 10, replica: 6
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -82.231367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.231367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.231367 (E_RNA)
where:
Base-Base interactions energy: -21.044
where: short stacking energy: -21.044
Base-Backbone interact. energy: -0.342
local terms energy: -60.845648
where:
bonds (distance) C4'-P energy: -17.171
bonds (distance) P-C4' energy: -12.841
flat angles C4'-P-C4' energy: -11.402
flat angles P-C4'-P energy: -13.458
tors. eta vs tors. theta energy: -5.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -288.937664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.937664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.937664 (E_RNA)
where:
Base-Base interactions energy: -191.187
where: short stacking energy: -79.034
Base-Backbone interact. energy: -0.021
local terms energy: -97.729640
where:
bonds (distance) C4'-P energy: -21.143
bonds (distance) P-C4' energy: -18.801
flat angles C4'-P-C4' energy: -18.738
flat angles P-C4'-P energy: -10.908
tors. eta vs tors. theta energy: -28.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -287.064096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.064096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.064096 (E_RNA)
where:
Base-Base interactions energy: -192.453
where: short stacking energy: -76.837
Base-Backbone interact. energy: 0.246
local terms energy: -94.856880
where:
bonds (distance) C4'-P energy: -18.351
bonds (distance) P-C4' energy: -16.294
flat angles C4'-P-C4' energy: -19.495
flat angles P-C4'-P energy: -12.946
tors. eta vs tors. theta energy: -27.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -285.578043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.578043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.578043 (E_RNA)
where:
Base-Base interactions energy: -187.944
where: short stacking energy: -81.458
Base-Backbone interact. energy: -0.004
local terms energy: -97.629294
where:
bonds (distance) C4'-P energy: -17.395
bonds (distance) P-C4' energy: -20.283
flat angles C4'-P-C4' energy: -20.455
flat angles P-C4'-P energy: -14.621
tors. eta vs tors. theta energy: -24.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -275.655777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.655777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.655777 (E_RNA)
where:
Base-Base interactions energy: -181.632
where: short stacking energy: -77.019
Base-Backbone interact. energy: -0.004
local terms energy: -94.019519
where:
bonds (distance) C4'-P energy: -19.174
bonds (distance) P-C4' energy: -20.155
flat angles C4'-P-C4' energy: -17.445
flat angles P-C4'-P energy: -11.884
tors. eta vs tors. theta energy: -25.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -243.169008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.169008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.169008 (E_RNA)
where:
Base-Base interactions energy: -164.147
where: short stacking energy: -74.887
Base-Backbone interact. energy: -0.800
local terms energy: -78.222030
where:
bonds (distance) C4'-P energy: -13.139
bonds (distance) P-C4' energy: -20.287
flat angles C4'-P-C4' energy: -18.971
flat angles P-C4'-P energy: -11.304
tors. eta vs tors. theta energy: -14.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -254.753040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.753040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.753040 (E_RNA)
where:
Base-Base interactions energy: -179.534
where: short stacking energy: -77.602
Base-Backbone interact. energy: -0.631
local terms energy: -74.587379
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -11.924
flat angles C4'-P-C4' energy: -15.643
flat angles P-C4'-P energy: -10.084
tors. eta vs tors. theta energy: -22.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -210.420068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.420068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.420068 (E_RNA)
where:
Base-Base interactions energy: -132.999
where: short stacking energy: -54.645
Base-Backbone interact. energy: -0.166
local terms energy: -77.255183
where:
bonds (distance) C4'-P energy: -20.864
bonds (distance) P-C4' energy: -16.902
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -10.892
tors. eta vs tors. theta energy: -13.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -151.986753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.986753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.986753 (E_RNA)
where:
Base-Base interactions energy: -96.195
where: short stacking energy: -37.697
Base-Backbone interact. energy: -0.998
local terms energy: -54.794096
where:
bonds (distance) C4'-P energy: -10.325
bonds (distance) P-C4' energy: -19.886
flat angles C4'-P-C4' energy: -12.566
flat angles P-C4'-P energy: -9.812
tors. eta vs tors. theta energy: -2.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -93.466744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.466744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.466744 (E_RNA)
where:
Base-Base interactions energy: -36.227
where: short stacking energy: -28.248
Base-Backbone interact. energy: -0.366
local terms energy: -56.873110
where:
bonds (distance) C4'-P energy: -11.766
bonds (distance) P-C4' energy: -20.493
flat angles C4'-P-C4' energy: -18.242
flat angles P-C4'-P energy: -9.253
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: 10, replica: 6
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -86.176585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.176585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.176585 (E_RNA)
where:
Base-Base interactions energy: -39.739
where: short stacking energy: -39.739
Base-Backbone interact. energy: -0.145
local terms energy: -46.292530
where:
bonds (distance) C4'-P energy: -10.601
bonds (distance) P-C4' energy: -14.935
flat angles C4'-P-C4' energy: -14.616
flat angles P-C4'-P energy: -3.144
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: 9
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -292.485139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.485139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.485139 (E_RNA)
where:
Base-Base interactions energy: -195.123
where: short stacking energy: -81.147
Base-Backbone interact. energy: -1.333
local terms energy: -96.029230
where:
bonds (distance) C4'-P energy: -18.314
bonds (distance) P-C4' energy: -18.310
flat angles C4'-P-C4' energy: -19.879
flat angles P-C4'-P energy: -14.494
tors. eta vs tors. theta energy: -25.032
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: 5
=====================================
Write number: 226
Temperature: 0.950000
Total energy: -294.117401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.117401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.117401 (E_RNA)
where:
Base-Base interactions energy: -196.299
where: short stacking energy: -80.898
Base-Backbone interact. energy: -0.656
local terms energy: -97.161581
where:
bonds (distance) C4'-P energy: -19.979
bonds (distance) P-C4' energy: -15.840
flat angles C4'-P-C4' energy: -19.013
flat angles P-C4'-P energy: -16.289
tors. eta vs tors. theta energy: -26.040
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: 4
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -278.577618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.577618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.577618 (E_RNA)
where:
Base-Base interactions energy: -186.659
where: short stacking energy: -73.192
Base-Backbone interact. energy: -0.264
local terms energy: -91.654264
where:
bonds (distance) C4'-P energy: -18.161
bonds (distance) P-C4' energy: -15.229
flat angles C4'-P-C4' energy: -19.917
flat angles P-C4'-P energy: -12.730
tors. eta vs tors. theta energy: -25.617
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: 1
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -277.372655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.372655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.372655 (E_RNA)
where:
Base-Base interactions energy: -196.568
where: short stacking energy: -82.028
Base-Backbone interact. energy: -0.944
local terms energy: -79.860472
where:
bonds (distance) C4'-P energy: -15.770
bonds (distance) P-C4' energy: -18.275
flat angles C4'-P-C4' energy: -17.083
flat angles P-C4'-P energy: -3.454
tors. eta vs tors. theta energy: -25.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -266.673248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.673248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.673248 (E_RNA)
where:
Base-Base interactions energy: -176.817
where: short stacking energy: -67.587
Base-Backbone interact. energy: -0.793
local terms energy: -89.063075
where:
bonds (distance) C4'-P energy: -12.515
bonds (distance) P-C4' energy: -20.332
flat angles C4'-P-C4' energy: -21.378
flat angles P-C4'-P energy: -15.480
tors. eta vs tors. theta energy: -19.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -266.683046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.683046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.683046 (E_RNA)
where:
Base-Base interactions energy: -188.259
where: short stacking energy: -75.525
Base-Backbone interact. energy: -0.170
local terms energy: -78.253911
where:
bonds (distance) C4'-P energy: -13.684
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -16.957
flat angles P-C4'-P energy: -12.952
tors. eta vs tors. theta energy: -19.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -198.550240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.550240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.550240 (E_RNA)
where:
Base-Base interactions energy: -124.804
where: short stacking energy: -47.619
Base-Backbone interact. energy: -0.416
local terms energy: -73.330072
where:
bonds (distance) C4'-P energy: -15.873
bonds (distance) P-C4' energy: -18.344
flat angles C4'-P-C4' energy: -17.038
flat angles P-C4'-P energy: -10.657
tors. eta vs tors. theta energy: -11.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -172.909284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.909284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.909284 (E_RNA)
where:
Base-Base interactions energy: -110.774
where: short stacking energy: -44.392
Base-Backbone interact. energy: 0.643
local terms energy: -62.778512
where:
bonds (distance) C4'-P energy: -10.097
bonds (distance) P-C4' energy: -17.222
flat angles C4'-P-C4' energy: -18.783
flat angles P-C4'-P energy: -14.320
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: 9, replica: 6
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -102.078143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.078143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.078143 (E_RNA)
where:
Base-Base interactions energy: -38.888
where: short stacking energy: -30.310
Base-Backbone interact. energy: -0.638
local terms energy: -62.551713
where:
bonds (distance) C4'-P energy: -14.949
bonds (distance) P-C4' energy: -17.466
flat angles C4'-P-C4' energy: -13.440
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -5.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -83.631196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.631196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.631196 (E_RNA)
where:
Base-Base interactions energy: -30.373
where: short stacking energy: -30.373
Base-Backbone interact. energy: -0.190
local terms energy: -53.067424
where:
bonds (distance) C4'-P energy: -16.027
bonds (distance) P-C4' energy: -14.007
flat angles C4'-P-C4' energy: -11.427
flat angles P-C4'-P energy: -8.855
tors. eta vs tors. theta energy: -2.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -295.820691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.820691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.820691 (E_RNA)
where:
Base-Base interactions energy: -193.467
where: short stacking energy: -85.151
Base-Backbone interact. energy: -1.120
local terms energy: -101.233997
where:
bonds (distance) C4'-P energy: -20.116
bonds (distance) P-C4' energy: -20.896
flat angles C4'-P-C4' energy: -18.303
flat angles P-C4'-P energy: -15.703
tors. eta vs tors. theta energy: -26.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -288.017092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.017092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.017092 (E_RNA)
where:
Base-Base interactions energy: -190.213
where: short stacking energy: -75.790
Base-Backbone interact. energy: -0.934
local terms energy: -96.869710
where:
bonds (distance) C4'-P energy: -16.584
bonds (distance) P-C4' energy: -18.009
flat angles C4'-P-C4' energy: -18.936
flat angles P-C4'-P energy: -17.988
tors. eta vs tors. theta energy: -25.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -276.345215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.345215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.345215 (E_RNA)
where:
Base-Base interactions energy: -188.935
where: short stacking energy: -77.218
Base-Backbone interact. energy: -0.814
local terms energy: -86.596320
where:
bonds (distance) C4'-P energy: -14.764
bonds (distance) P-C4' energy: -16.444
flat angles C4'-P-C4' energy: -19.279
flat angles P-C4'-P energy: -12.810
tors. eta vs tors. theta energy: -23.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -277.261614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.261614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.261614 (E_RNA)
where:
Base-Base interactions energy: -187.068
where: short stacking energy: -80.259
Base-Backbone interact. energy: -0.317
local terms energy: -89.876769
where:
bonds (distance) C4'-P energy: -18.365
bonds (distance) P-C4' energy: -15.517
flat angles C4'-P-C4' energy: -15.583
flat angles P-C4'-P energy: -14.800
tors. eta vs tors. theta energy: -25.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -277.335996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.335996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.335996 (E_RNA)
where:
Base-Base interactions energy: -188.859
where: short stacking energy: -73.962
Base-Backbone interact. energy: -0.639
local terms energy: -87.838493
where:
bonds (distance) C4'-P energy: -19.685
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -14.743
tors. eta vs tors. theta energy: -23.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -258.667979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.667979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.667979 (E_RNA)
where:
Base-Base interactions energy: -173.973
where: short stacking energy: -66.179
Base-Backbone interact. energy: -0.339
local terms energy: -84.356287
where:
bonds (distance) C4'-P energy: -17.599
bonds (distance) P-C4' energy: -20.386
flat angles C4'-P-C4' energy: -19.759
flat angles P-C4'-P energy: -7.708
tors. eta vs tors. theta energy: -18.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -232.457569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.457569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.457569 (E_RNA)
where:
Base-Base interactions energy: -157.783
where: short stacking energy: -66.406
Base-Backbone interact. energy: -0.071
local terms energy: -74.603499
where:
bonds (distance) C4'-P energy: -16.340
bonds (distance) P-C4' energy: -13.518
flat angles C4'-P-C4' energy: -19.037
flat angles P-C4'-P energy: -10.262
tors. eta vs tors. theta energy: -15.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -195.481867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.481867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.481867 (E_RNA)
where:
Base-Base interactions energy: -121.266
where: short stacking energy: -52.170
Base-Backbone interact. energy: -1.203
local terms energy: -73.013052
where:
bonds (distance) C4'-P energy: -11.394
bonds (distance) P-C4' energy: -18.313
flat angles C4'-P-C4' energy: -19.546
flat angles P-C4'-P energy: -13.901
tors. eta vs tors. theta energy: -9.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -86.980842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.980842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.980842 (E_RNA)
where:
Base-Base interactions energy: -32.804
where: short stacking energy: -32.033
Base-Backbone interact. energy: -1.099
local terms energy: -53.078437
where:
bonds (distance) C4'-P energy: -13.243
bonds (distance) P-C4' energy: -15.547
flat angles C4'-P-C4' energy: -13.004
flat angles P-C4'-P energy: -11.087
tors. eta vs tors. theta energy: -0.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -90.083153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.083153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.083153 (E_RNA)
where:
Base-Base interactions energy: -30.877
where: short stacking energy: -30.877
Base-Backbone interact. energy: -0.038
local terms energy: -59.168592
where:
bonds (distance) C4'-P energy: -13.861
bonds (distance) P-C4' energy: -17.776
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -10.613
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: 1, replica: 5
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -298.797218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.797218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.797218 (E_RNA)
where:
Base-Base interactions energy: -199.787
where: short stacking energy: -76.245
Base-Backbone interact. energy: -0.627
local terms energy: -98.382315
where:
bonds (distance) C4'-P energy: -19.449
bonds (distance) P-C4' energy: -21.053
flat angles C4'-P-C4' energy: -18.471
flat angles P-C4'-P energy: -13.342
tors. eta vs tors. theta energy: -26.068
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: 9
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -293.301262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.301262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.301262 (E_RNA)
where:
Base-Base interactions energy: -198.123
where: short stacking energy: -82.457
Base-Backbone interact. energy: -1.195
local terms energy: -93.983655
where:
bonds (distance) C4'-P energy: -17.123
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -21.326
flat angles P-C4'-P energy: -13.588
tors. eta vs tors. theta energy: -25.161
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: 228
Temperature: 1.000000
Total energy: -289.580664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.580664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.580664 (E_RNA)
where:
Base-Base interactions energy: -189.569
where: short stacking energy: -80.495
Base-Backbone interact. energy: -0.679
local terms energy: -99.331994
where:
bonds (distance) C4'-P energy: -20.392
bonds (distance) P-C4' energy: -17.688
flat angles C4'-P-C4' energy: -20.957
flat angles P-C4'-P energy: -12.240
tors. eta vs tors. theta energy: -28.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -276.536672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.536672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.536672 (E_RNA)
where:
Base-Base interactions energy: -187.939
where: short stacking energy: -80.811
Base-Backbone interact. energy: -1.608
local terms energy: -86.989516
where:
bonds (distance) C4'-P energy: -13.103
bonds (distance) P-C4' energy: -19.872
flat angles C4'-P-C4' energy: -19.042
flat angles P-C4'-P energy: -11.139
tors. eta vs tors. theta energy: -23.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -265.913793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.913793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.913793 (E_RNA)
where:
Base-Base interactions energy: -182.009
where: short stacking energy: -66.703
Base-Backbone interact. energy: -1.657
local terms energy: -82.248003
where:
bonds (distance) C4'-P energy: -17.027
bonds (distance) P-C4' energy: -17.664
flat angles C4'-P-C4' energy: -16.485
flat angles P-C4'-P energy: -12.217
tors. eta vs tors. theta energy: -18.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -273.111888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.111888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.111888 (E_RNA)
where:
Base-Base interactions energy: -181.876
where: short stacking energy: -78.283
Base-Backbone interact. energy: 0.582
local terms energy: -91.817429
where:
bonds (distance) C4'-P energy: -15.127
bonds (distance) P-C4' energy: -20.919
flat angles C4'-P-C4' energy: -18.767
flat angles P-C4'-P energy: -13.631
tors. eta vs tors. theta energy: -23.373
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -246.878632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.878632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.878632 (E_RNA)
where:
Base-Base interactions energy: -154.123
where: short stacking energy: -73.646
Base-Backbone interact. energy: -0.217
local terms energy: -92.539003
where:
bonds (distance) C4'-P energy: -16.009
bonds (distance) P-C4' energy: -20.193
flat angles C4'-P-C4' energy: -21.552
flat angles P-C4'-P energy: -13.620
tors. eta vs tors. theta energy: -21.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -177.331785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.331785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.331785 (E_RNA)
where:
Base-Base interactions energy: -109.405
where: short stacking energy: -52.346
Base-Backbone interact. energy: -0.169
local terms energy: -67.757613
where:
bonds (distance) C4'-P energy: -15.577
bonds (distance) P-C4' energy: -17.445
flat angles C4'-P-C4' energy: -8.925
flat angles P-C4'-P energy: -11.618
tors. eta vs tors. theta energy: -14.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -88.366495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.366495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.366495 (E_RNA)
where:
Base-Base interactions energy: -29.586
where: short stacking energy: -17.839
Base-Backbone interact. energy: 2.458
local terms energy: -61.238011
where:
bonds (distance) C4'-P energy: -18.298
bonds (distance) P-C4' energy: -18.298
flat angles C4'-P-C4' energy: -14.653
flat angles P-C4'-P energy: -13.038
tors. eta vs tors. theta energy: 3.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -84.743244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.743244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.743244 (E_RNA)
where:
Base-Base interactions energy: -27.149
where: short stacking energy: -22.595
Base-Backbone interact. energy: -0.307
local terms energy: -57.286875
where:
bonds (distance) C4'-P energy: -18.621
bonds (distance) P-C4' energy: -14.565
flat angles C4'-P-C4' energy: -19.421
flat angles P-C4'-P energy: -6.603
tors. eta vs tors. theta energy: 1.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -292.750537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.750537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.750537 (E_RNA)
where:
Base-Base interactions energy: -198.314
where: short stacking energy: -76.903
Base-Backbone interact. energy: -1.466
local terms energy: -92.969911
where:
bonds (distance) C4'-P energy: -14.361
bonds (distance) P-C4' energy: -20.887
flat angles C4'-P-C4' energy: -22.326
flat angles P-C4'-P energy: -14.063
tors. eta vs tors. theta energy: -21.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -287.529900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.529900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.529900 (E_RNA)
where:
Base-Base interactions energy: -194.290
where: short stacking energy: -76.024
Base-Backbone interact. energy: -1.656
local terms energy: -91.583868
where:
bonds (distance) C4'-P energy: -21.241
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -21.365
flat angles P-C4'-P energy: -10.122
tors. eta vs tors. theta energy: -21.146
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: 9
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -282.827252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.827252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.827252 (E_RNA)
where:
Base-Base interactions energy: -190.694
where: short stacking energy: -88.199
Base-Backbone interact. energy: -0.069
local terms energy: -92.064348
where:
bonds (distance) C4'-P energy: -14.780
bonds (distance) P-C4' energy: -21.123
flat angles C4'-P-C4' energy: -19.324
flat angles P-C4'-P energy: -10.500
tors. eta vs tors. theta energy: -26.337
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: 4
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -278.572969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.572969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.572969 (E_RNA)
where:
Base-Base interactions energy: -194.228
where: short stacking energy: -74.940
Base-Backbone interact. energy: -1.837
local terms energy: -82.507636
where:
bonds (distance) C4'-P energy: -13.072
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -15.466
tors. eta vs tors. theta energy: -20.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -267.660765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.660765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.660765 (E_RNA)
where:
Base-Base interactions energy: -179.266
where: short stacking energy: -69.507
Base-Backbone interact. energy: -0.368
local terms energy: -88.026151
where:
bonds (distance) C4'-P energy: -16.531
bonds (distance) P-C4' energy: -20.243
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -15.279
tors. eta vs tors. theta energy: -22.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -252.606116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.606116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.606116 (E_RNA)
where:
Base-Base interactions energy: -164.962
where: short stacking energy: -71.347
Base-Backbone interact. energy: 0.476
local terms energy: -88.120492
where:
bonds (distance) C4'-P energy: -13.817
bonds (distance) P-C4' energy: -17.903
flat angles C4'-P-C4' energy: -21.127
flat angles P-C4'-P energy: -12.066
tors. eta vs tors. theta energy: -23.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -240.695344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.695344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.695344 (E_RNA)
where:
Base-Base interactions energy: -159.447
where: short stacking energy: -69.122
Base-Backbone interact. energy: -0.251
local terms energy: -80.997277
where:
bonds (distance) C4'-P energy: -16.961
bonds (distance) P-C4' energy: -15.151
flat angles C4'-P-C4' energy: -17.943
flat angles P-C4'-P energy: -7.055
tors. eta vs tors. theta energy: -23.888
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: 8, replica: 10
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -110.325117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.325117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.325117 (E_RNA)
where:
Base-Base interactions energy: -56.333
where: short stacking energy: -31.796
Base-Backbone interact. energy: -0.274
local terms energy: -53.717972
where:
bonds (distance) C4'-P energy: -15.172
bonds (distance) P-C4' energy: -15.495
flat angles C4'-P-C4' energy: -13.752
flat angles P-C4'-P energy: -10.124
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: 9, replica: 8
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -180.387762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.387762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.387762 (E_RNA)
where:
Base-Base interactions energy: -110.219
where: short stacking energy: -58.811
Base-Backbone interact. energy: -0.223
local terms energy: -69.945886
where:
bonds (distance) C4'-P energy: -12.551
bonds (distance) P-C4' energy: -14.663
flat angles C4'-P-C4' energy: -16.416
flat angles P-C4'-P energy: -12.827
tors. eta vs tors. theta energy: -13.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -87.285795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.285795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.285795 (E_RNA)
where:
Base-Base interactions energy: -29.983
where: short stacking energy: -17.485
Base-Backbone interact. energy: -0.179
local terms energy: -57.123792
where:
bonds (distance) C4'-P energy: -12.362
bonds (distance) P-C4' energy: -19.550
flat angles C4'-P-C4' energy: -17.523
flat angles P-C4'-P energy: -5.115
tors. eta vs tors. theta energy: -2.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -293.878214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.878214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.878214 (E_RNA)
where:
Base-Base interactions energy: -202.412
where: short stacking energy: -80.793
Base-Backbone interact. energy: -0.015
local terms energy: -91.451036
where:
bonds (distance) C4'-P energy: -18.344
bonds (distance) P-C4' energy: -17.412
flat angles C4'-P-C4' energy: -19.190
flat angles P-C4'-P energy: -13.396
tors. eta vs tors. theta energy: -23.109
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: 5
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -288.457769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.457769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.457769 (E_RNA)
where:
Base-Base interactions energy: -198.102
where: short stacking energy: -85.152
Base-Backbone interact. energy: -0.693
local terms energy: -89.663236
where:
bonds (distance) C4'-P energy: -19.234
bonds (distance) P-C4' energy: -11.837
flat angles C4'-P-C4' energy: -20.011
flat angles P-C4'-P energy: -13.059
tors. eta vs tors. theta energy: -25.522
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: 9
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -277.595076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.595076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.595076 (E_RNA)
where:
Base-Base interactions energy: -194.839
where: short stacking energy: -77.050
Base-Backbone interact. energy: -0.001
local terms energy: -82.754854
where:
bonds (distance) C4'-P energy: -13.988
bonds (distance) P-C4' energy: -13.425
flat angles C4'-P-C4' energy: -18.924
flat angles P-C4'-P energy: -11.132
tors. eta vs tors. theta energy: -25.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -280.585122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.585122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.585122 (E_RNA)
where:
Base-Base interactions energy: -189.377
where: short stacking energy: -80.755
Base-Backbone interact. energy: -0.140
local terms energy: -91.068269
where:
bonds (distance) C4'-P energy: -19.383
bonds (distance) P-C4' energy: -16.014
flat angles C4'-P-C4' energy: -19.028
flat angles P-C4'-P energy: -15.428
tors. eta vs tors. theta energy: -21.215
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: 2
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -272.042970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.042970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.042970 (E_RNA)
where:
Base-Base interactions energy: -180.842
where: short stacking energy: -71.702
Base-Backbone interact. energy: 0.454
local terms energy: -91.655308
where:
bonds (distance) C4'-P energy: -17.504
bonds (distance) P-C4' energy: -21.271
flat angles C4'-P-C4' energy: -19.262
flat angles P-C4'-P energy: -10.988
tors. eta vs tors. theta energy: -22.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -264.041803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.041803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.041803 (E_RNA)
where:
Base-Base interactions energy: -174.347
where: short stacking energy: -71.589
Base-Backbone interact. energy: -1.022
local terms energy: -88.672324
where:
bonds (distance) C4'-P energy: -18.169
bonds (distance) P-C4' energy: -20.138
flat angles C4'-P-C4' energy: -16.766
flat angles P-C4'-P energy: -11.083
tors. eta vs tors. theta energy: -22.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -247.970281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.970281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.970281 (E_RNA)
where:
Base-Base interactions energy: -161.455
where: short stacking energy: -67.640
Base-Backbone interact. energy: -0.489
local terms energy: -86.026031
where:
bonds (distance) C4'-P energy: -16.186
bonds (distance) P-C4' energy: -18.910
flat angles C4'-P-C4' energy: -18.898
flat angles P-C4'-P energy: -12.310
tors. eta vs tors. theta energy: -19.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -107.597745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.597745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.597745 (E_RNA)
where:
Base-Base interactions energy: -40.001
where: short stacking energy: -22.479
Base-Backbone interact. energy: -0.994
local terms energy: -66.602559
where:
bonds (distance) C4'-P energy: -19.685
bonds (distance) P-C4' energy: -16.442
flat angles C4'-P-C4' energy: -16.331
flat angles P-C4'-P energy: -13.220
tors. eta vs tors. theta energy: -0.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -200.771134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.771134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.771134 (E_RNA)
where:
Base-Base interactions energy: -130.302
where: short stacking energy: -55.510
Base-Backbone interact. energy: -0.017
local terms energy: -70.451844
where:
bonds (distance) C4'-P energy: -12.710
bonds (distance) P-C4' energy: -14.669
flat angles C4'-P-C4' energy: -13.787
flat angles P-C4'-P energy: -13.545
tors. eta vs tors. theta energy: -15.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -89.200612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.200612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.200612 (E_RNA)
where:
Base-Base interactions energy: -29.097
where: short stacking energy: -29.097
Base-Backbone interact. energy: 0.098
local terms energy: -60.201043
where:
bonds (distance) C4'-P energy: -19.146
bonds (distance) P-C4' energy: -14.254
flat angles C4'-P-C4' energy: -13.576
flat angles P-C4'-P energy: -9.184
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: 1, replica: 1
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -295.600339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.600339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.600339 (E_RNA)
where:
Base-Base interactions energy: -208.256
where: short stacking energy: -78.840
Base-Backbone interact. energy: -0.092
local terms energy: -87.253101
where:
bonds (distance) C4'-P energy: -13.637
bonds (distance) P-C4' energy: -18.950
flat angles C4'-P-C4' energy: -17.373
flat angles P-C4'-P energy: -15.404
tors. eta vs tors. theta energy: -21.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -288.700272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.700272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.700272 (E_RNA)
where:
Base-Base interactions energy: -194.338
where: short stacking energy: -80.636
Base-Backbone interact. energy: -0.917
local terms energy: -93.445095
where:
bonds (distance) C4'-P energy: -16.286
bonds (distance) P-C4' energy: -18.437
flat angles C4'-P-C4' energy: -21.521
flat angles P-C4'-P energy: -13.795
tors. eta vs tors. theta energy: -23.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -286.520014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.520014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.520014 (E_RNA)
where:
Base-Base interactions energy: -191.364
where: short stacking energy: -81.714
Base-Backbone interact. energy: -0.562
local terms energy: -94.594387
where:
bonds (distance) C4'-P energy: -17.289
bonds (distance) P-C4' energy: -18.523
flat angles C4'-P-C4' energy: -19.035
flat angles P-C4'-P energy: -11.263
tors. eta vs tors. theta energy: -28.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -282.266745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.266745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.266745 (E_RNA)
where:
Base-Base interactions energy: -188.839
where: short stacking energy: -76.355
Base-Backbone interact. energy: -0.229
local terms energy: -93.198718
where:
bonds (distance) C4'-P energy: -18.709
bonds (distance) P-C4' energy: -18.868
flat angles C4'-P-C4' energy: -19.552
flat angles P-C4'-P energy: -14.159
tors. eta vs tors. theta energy: -21.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -275.974807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.974807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.974807 (E_RNA)
where:
Base-Base interactions energy: -194.296
where: short stacking energy: -70.825
Base-Backbone interact. energy: -0.043
local terms energy: -81.636560
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -16.695
flat angles P-C4'-P energy: -7.222
tors. eta vs tors. theta energy: -26.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -266.180634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.180634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.180634 (E_RNA)
where:
Base-Base interactions energy: -182.454
where: short stacking energy: -73.316
Base-Backbone interact. energy: -0.104
local terms energy: -83.623349
where:
bonds (distance) C4'-P energy: -17.346
bonds (distance) P-C4' energy: -18.292
flat angles C4'-P-C4' energy: -19.488
flat angles P-C4'-P energy: -10.854
tors. eta vs tors. theta energy: -17.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -263.471324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.471324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.471324 (E_RNA)
where:
Base-Base interactions energy: -182.289
where: short stacking energy: -78.199
Base-Backbone interact. energy: -0.872
local terms energy: -80.309820
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -16.284
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -11.394
tors. eta vs tors. theta energy: -24.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -206.833465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.833465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.833465 (E_RNA)
where:
Base-Base interactions energy: -133.828
where: short stacking energy: -58.645
Base-Backbone interact. energy: -0.220
local terms energy: -72.785240
where:
bonds (distance) C4'-P energy: -10.577
bonds (distance) P-C4' energy: -19.044
flat angles C4'-P-C4' energy: -14.546
flat angles P-C4'-P energy: -10.575
tors. eta vs tors. theta energy: -18.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -94.948271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.948271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.948271 (E_RNA)
where:
Base-Base interactions energy: -34.933
where: short stacking energy: -34.933
Base-Backbone interact. energy: -0.193
local terms energy: -59.822123
where:
bonds (distance) C4'-P energy: -19.171
bonds (distance) P-C4' energy: -19.949
flat angles C4'-P-C4' energy: -7.887
flat angles P-C4'-P energy: -9.767
tors. eta vs tors. theta energy: -3.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -96.169559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.169559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.169559 (E_RNA)
where:
Base-Base interactions energy: -33.721
where: short stacking energy: -33.721
Base-Backbone interact. energy: -0.483
local terms energy: -61.965238
where:
bonds (distance) C4'-P energy: -17.168
bonds (distance) P-C4' energy: -21.145
flat angles C4'-P-C4' energy: -13.585
flat angles P-C4'-P energy: -9.313
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: 1, replica: 9
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -296.297992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.297992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.297992 (E_RNA)
where:
Base-Base interactions energy: -199.120
where: short stacking energy: -81.674
Base-Backbone interact. energy: -0.585
local terms energy: -96.592511
where:
bonds (distance) C4'-P energy: -18.399
bonds (distance) P-C4' energy: -18.444
flat angles C4'-P-C4' energy: -20.086
flat angles P-C4'-P energy: -12.179
tors. eta vs tors. theta energy: -27.484
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: 2, replica: 1
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -294.809790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.809790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.809790 (E_RNA)
where:
Base-Base interactions energy: -203.859
where: short stacking energy: -78.630
Base-Backbone interact. energy: -0.028
local terms energy: -90.922322
where:
bonds (distance) C4'-P energy: -16.376
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -18.538
flat angles P-C4'-P energy: -12.006
tors. eta vs tors. theta energy: -24.700
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: 2
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -287.177491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.177491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.177491 (E_RNA)
where:
Base-Base interactions energy: -191.363
where: short stacking energy: -73.758
Base-Backbone interact. energy: -0.014
local terms energy: -95.800784
where:
bonds (distance) C4'-P energy: -19.999
bonds (distance) P-C4' energy: -20.451
flat angles C4'-P-C4' energy: -17.541
flat angles P-C4'-P energy: -15.939
tors. eta vs tors. theta energy: -21.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -284.615217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.615217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.615217 (E_RNA)
where:
Base-Base interactions energy: -198.566
where: short stacking energy: -81.897
Base-Backbone interact. energy: -0.009
local terms energy: -86.040226
where:
bonds (distance) C4'-P energy: -21.383
bonds (distance) P-C4' energy: -12.440
flat angles C4'-P-C4' energy: -15.568
flat angles P-C4'-P energy: -12.115
tors. eta vs tors. theta energy: -24.535
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: 5, replica: 4
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -272.516121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.516121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.516121 (E_RNA)
where:
Base-Base interactions energy: -183.814
where: short stacking energy: -79.200
Base-Backbone interact. energy: -0.881
local terms energy: -87.821955
where:
bonds (distance) C4'-P energy: -18.053
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -19.446
flat angles P-C4'-P energy: -11.228
tors. eta vs tors. theta energy: -22.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -271.701509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.701509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.701509 (E_RNA)
where:
Base-Base interactions energy: -185.450
where: short stacking energy: -75.106
Base-Backbone interact. energy: -0.679
local terms energy: -85.572697
where:
bonds (distance) C4'-P energy: -15.493
bonds (distance) P-C4' energy: -18.458
flat angles C4'-P-C4' energy: -19.345
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -22.161
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: 8
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -165.272278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.272278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.272278 (E_RNA)
where:
Base-Base interactions energy: -108.552
where: short stacking energy: -42.778
Base-Backbone interact. energy: -0.054
local terms energy: -56.666154
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -13.293
flat angles C4'-P-C4' energy: -17.182
flat angles P-C4'-P energy: -7.365
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: 8, replica: 7
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -227.480197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.480197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.480197 (E_RNA)
where:
Base-Base interactions energy: -161.339
where: short stacking energy: -57.443
Base-Backbone interact. energy: -0.183
local terms energy: -65.958768
where:
bonds (distance) C4'-P energy: -11.818
bonds (distance) P-C4' energy: -16.057
flat angles C4'-P-C4' energy: -11.642
flat angles P-C4'-P energy: -9.017
tors. eta vs tors. theta energy: -17.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -108.039937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.039937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.039937 (E_RNA)
where:
Base-Base interactions energy: -43.031
where: short stacking energy: -18.790
Base-Backbone interact. energy: -0.234
local terms energy: -64.774194
where:
bonds (distance) C4'-P energy: -11.471
bonds (distance) P-C4' energy: -20.411
flat angles C4'-P-C4' energy: -17.927
flat angles P-C4'-P energy: -7.610
tors. eta vs tors. theta energy: -7.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -94.433812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.433812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.433812 (E_RNA)
where:
Base-Base interactions energy: -28.221
where: short stacking energy: -28.221
Base-Backbone interact. energy: -0.201
local terms energy: -66.011178
where:
bonds (distance) C4'-P energy: -17.475
bonds (distance) P-C4' energy: -18.812
flat angles C4'-P-C4' energy: -12.604
flat angles P-C4'-P energy: -11.379
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: 1, replica: 9
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -297.847989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.847989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.847989 (E_RNA)
where:
Base-Base interactions energy: -201.621
where: short stacking energy: -79.743
Base-Backbone interact. energy: -0.037
local terms energy: -96.190211
where:
bonds (distance) C4'-P energy: -19.274
bonds (distance) P-C4' energy: -18.392
flat angles C4'-P-C4' energy: -22.500
flat angles P-C4'-P energy: -10.844
tors. eta vs tors. theta energy: -25.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -290.960827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.960827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.960827 (E_RNA)
where:
Base-Base interactions energy: -191.154
where: short stacking energy: -76.690
Base-Backbone interact. energy: 0.237
local terms energy: -100.043645
where:
bonds (distance) C4'-P energy: -19.669
bonds (distance) P-C4' energy: -22.442
flat angles C4'-P-C4' energy: -17.511
flat angles P-C4'-P energy: -14.034
tors. eta vs tors. theta energy: -26.388
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: 2
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -288.222396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.222396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.222396 (E_RNA)
where:
Base-Base interactions energy: -198.875
where: short stacking energy: -74.449
Base-Backbone interact. energy: -0.109
local terms energy: -89.238982
where:
bonds (distance) C4'-P energy: -19.805
bonds (distance) P-C4' energy: -15.160
flat angles C4'-P-C4' energy: -22.566
flat angles P-C4'-P energy: -12.647
tors. eta vs tors. theta energy: -19.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -279.028314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.028314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.028314 (E_RNA)
where:
Base-Base interactions energy: -189.858
where: short stacking energy: -75.369
Base-Backbone interact. energy: -0.672
local terms energy: -88.498584
where:
bonds (distance) C4'-P energy: -19.444
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -19.788
flat angles P-C4'-P energy: -10.239
tors. eta vs tors. theta energy: -22.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -275.511728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.511728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.511728 (E_RNA)
where:
Base-Base interactions energy: -185.417
where: short stacking energy: -81.348
Base-Backbone interact. energy: -0.354
local terms energy: -89.740591
where:
bonds (distance) C4'-P energy: -18.995
bonds (distance) P-C4' energy: -13.719
flat angles C4'-P-C4' energy: -18.401
flat angles P-C4'-P energy: -13.374
tors. eta vs tors. theta energy: -25.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -267.158516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.158516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.158516 (E_RNA)
where:
Base-Base interactions energy: -174.641
where: short stacking energy: -82.767
Base-Backbone interact. energy: -0.053
local terms energy: -92.464317
where:
bonds (distance) C4'-P energy: -18.427
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -19.459
flat angles P-C4'-P energy: -12.050
tors. eta vs tors. theta energy: -25.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -174.393405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.393405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.393405 (E_RNA)
where:
Base-Base interactions energy: -94.847
where: short stacking energy: -47.870
Base-Backbone interact. energy: -0.204
local terms energy: -79.342266
where:
bonds (distance) C4'-P energy: -17.805
bonds (distance) P-C4' energy: -21.283
flat angles C4'-P-C4' energy: -16.170
flat angles P-C4'-P energy: -10.187
tors. eta vs tors. theta energy: -13.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -214.556060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.556060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.556060 (E_RNA)
where:
Base-Base interactions energy: -146.383
where: short stacking energy: -57.880
Base-Backbone interact. energy: -0.705
local terms energy: -67.468599
where:
bonds (distance) C4'-P energy: -14.701
bonds (distance) P-C4' energy: -12.656
flat angles C4'-P-C4' energy: -16.081
flat angles P-C4'-P energy: -10.032
tors. eta vs tors. theta energy: -13.998
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: 6
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -100.570614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.570614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.570614 (E_RNA)
where:
Base-Base interactions energy: -39.289
where: short stacking energy: -28.970
Base-Backbone interact. energy: -0.082
local terms energy: -61.199877
where:
bonds (distance) C4'-P energy: -15.368
bonds (distance) P-C4' energy: -21.246
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -8.277
tors. eta vs tors. theta energy: 0.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -92.925173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.925173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.925173 (E_RNA)
where:
Base-Base interactions energy: -40.169
where: short stacking energy: -38.683
Base-Backbone interact. energy: -0.114
local terms energy: -52.642843
where:
bonds (distance) C4'-P energy: -10.092
bonds (distance) P-C4' energy: -18.527
flat angles C4'-P-C4' energy: -12.274
flat angles P-C4'-P energy: -7.939
tors. eta vs tors. theta energy: -3.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -290.990432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.990432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.990432 (E_RNA)
where:
Base-Base interactions energy: -191.149
where: short stacking energy: -76.400
Base-Backbone interact. energy: -1.038
local terms energy: -98.803437
where:
bonds (distance) C4'-P energy: -18.626
bonds (distance) P-C4' energy: -20.548
flat angles C4'-P-C4' energy: -21.113
flat angles P-C4'-P energy: -14.858
tors. eta vs tors. theta energy: -23.658
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: 9
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -294.149198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.149198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.149198 (E_RNA)
where:
Base-Base interactions energy: -192.572
where: short stacking energy: -79.930
Base-Backbone interact. energy: -2.735
local terms energy: -98.842611
where:
bonds (distance) C4'-P energy: -18.622
bonds (distance) P-C4' energy: -22.166
flat angles C4'-P-C4' energy: -18.419
flat angles P-C4'-P energy: -12.508
tors. eta vs tors. theta energy: -27.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -289.642592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.642592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.642592 (E_RNA)
where:
Base-Base interactions energy: -193.982
where: short stacking energy: -85.152
Base-Backbone interact. energy: -2.108
local terms energy: -93.552046
where:
bonds (distance) C4'-P energy: -17.156
bonds (distance) P-C4' energy: -15.856
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -14.729
tors. eta vs tors. theta energy: -29.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -262.584090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.584090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.584090 (E_RNA)
where:
Base-Base interactions energy: -171.126
where: short stacking energy: -66.054
Base-Backbone interact. energy: -0.136
local terms energy: -91.321696
where:
bonds (distance) C4'-P energy: -17.852
bonds (distance) P-C4' energy: -18.351
flat angles C4'-P-C4' energy: -18.112
flat angles P-C4'-P energy: -14.895
tors. eta vs tors. theta energy: -22.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -257.229211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.229211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.229211 (E_RNA)
where:
Base-Base interactions energy: -165.885
where: short stacking energy: -73.770
Base-Backbone interact. energy: -0.069
local terms energy: -91.274979
where:
bonds (distance) C4'-P energy: -14.360
bonds (distance) P-C4' energy: -18.567
flat angles C4'-P-C4' energy: -19.665
flat angles P-C4'-P energy: -12.375
tors. eta vs tors. theta energy: -26.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -280.994726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.994726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.994726 (E_RNA)
where:
Base-Base interactions energy: -185.718
where: short stacking energy: -76.689
Base-Backbone interact. energy: -0.727
local terms energy: -94.549765
where:
bonds (distance) C4'-P energy: -13.379
bonds (distance) P-C4' energy: -18.632
flat angles C4'-P-C4' energy: -20.211
flat angles P-C4'-P energy: -15.656
tors. eta vs tors. theta energy: -26.673
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: 7
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -199.077953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.077953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.077953 (E_RNA)
where:
Base-Base interactions energy: -136.315
where: short stacking energy: -55.437
Base-Backbone interact. energy: 0.275
local terms energy: -63.037820
where:
bonds (distance) C4'-P energy: -13.657
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -12.898
flat angles P-C4'-P energy: -8.879
tors. eta vs tors. theta energy: -11.655
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: 8, replica: 8
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -153.972108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.972108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.972108 (E_RNA)
where:
Base-Base interactions energy: -100.171
where: short stacking energy: -41.698
Base-Backbone interact. energy: -0.691
local terms energy: -53.110166
where:
bonds (distance) C4'-P energy: -14.590
bonds (distance) P-C4' energy: -14.968
flat angles C4'-P-C4' energy: -13.857
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -0.947
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: 9, replica: 10
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -99.531677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.531677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.531677 (E_RNA)
where:
Base-Base interactions energy: -42.073
where: short stacking energy: -33.145
Base-Backbone interact. energy: -0.168
local terms energy: -57.290374
where:
bonds (distance) C4'-P energy: -16.334
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -8.200
flat angles P-C4'-P energy: -11.139
tors. eta vs tors. theta energy: -6.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -81.656311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.656311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.656311 (E_RNA)
where:
Base-Base interactions energy: -31.718
where: short stacking energy: -21.426
Base-Backbone interact. energy: -1.464
local terms energy: -48.474764
where:
bonds (distance) C4'-P energy: -16.766
bonds (distance) P-C4' energy: -10.659
flat angles C4'-P-C4' energy: -17.381
flat angles P-C4'-P energy: -6.110
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: 1, replica: 1
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -284.622956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.622956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.622956 (E_RNA)
where:
Base-Base interactions energy: -193.839
where: short stacking energy: -75.746
Base-Backbone interact. energy: -0.274
local terms energy: -90.510077
where:
bonds (distance) C4'-P energy: -16.944
bonds (distance) P-C4' energy: -18.055
flat angles C4'-P-C4' energy: -17.718
flat angles P-C4'-P energy: -12.770
tors. eta vs tors. theta energy: -25.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -285.916268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.916268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.916268 (E_RNA)
where:
Base-Base interactions energy: -192.507
where: short stacking energy: -77.736
Base-Backbone interact. energy: -0.112
local terms energy: -93.297037
where:
bonds (distance) C4'-P energy: -16.902
bonds (distance) P-C4' energy: -18.205
flat angles C4'-P-C4' energy: -19.697
flat angles P-C4'-P energy: -12.914
tors. eta vs tors. theta energy: -25.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -277.950757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.950757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.950757 (E_RNA)
where:
Base-Base interactions energy: -189.397
where: short stacking energy: -70.934
Base-Backbone interact. energy: -0.213
local terms energy: -88.341265
where:
bonds (distance) C4'-P energy: -17.405
bonds (distance) P-C4' energy: -19.628
flat angles C4'-P-C4' energy: -21.752
flat angles P-C4'-P energy: -9.232
tors. eta vs tors. theta energy: -20.324
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: 4
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -276.128987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.128987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.128987 (E_RNA)
where:
Base-Base interactions energy: -186.671
where: short stacking energy: -71.718
Base-Backbone interact. energy: -0.158
local terms energy: -89.300311
where:
bonds (distance) C4'-P energy: -13.690
bonds (distance) P-C4' energy: -19.301
flat angles C4'-P-C4' energy: -19.854
flat angles P-C4'-P energy: -15.184
tors. eta vs tors. theta energy: -21.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -272.527108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.527108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.527108 (E_RNA)
where:
Base-Base interactions energy: -179.488
where: short stacking energy: -73.102
Base-Backbone interact. energy: -0.141
local terms energy: -92.897589
where:
bonds (distance) C4'-P energy: -13.846
bonds (distance) P-C4' energy: -18.008
flat angles C4'-P-C4' energy: -19.327
flat angles P-C4'-P energy: -14.660
tors. eta vs tors. theta energy: -27.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -257.029112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.029112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.029112 (E_RNA)
where:
Base-Base interactions energy: -178.296
where: short stacking energy: -73.484
Base-Backbone interact. energy: -0.983
local terms energy: -77.750280
where:
bonds (distance) C4'-P energy: -18.134
bonds (distance) P-C4' energy: -15.162
flat angles C4'-P-C4' energy: -15.673
flat angles P-C4'-P energy: -8.251
tors. eta vs tors. theta energy: -20.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -202.208070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.208070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.208070 (E_RNA)
where:
Base-Base interactions energy: -129.589
where: short stacking energy: -51.515
Base-Backbone interact. energy: -0.302
local terms energy: -72.317410
where:
bonds (distance) C4'-P energy: -14.200
bonds (distance) P-C4' energy: -18.775
flat angles C4'-P-C4' energy: -16.452
flat angles P-C4'-P energy: -6.657
tors. eta vs tors. theta energy: -16.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -149.095824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.095824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.095824 (E_RNA)
where:
Base-Base interactions energy: -80.064
where: short stacking energy: -41.969
Base-Backbone interact. energy: -0.531
local terms energy: -68.500895
where:
bonds (distance) C4'-P energy: -16.213
bonds (distance) P-C4' energy: -18.160
flat angles C4'-P-C4' energy: -13.928
flat angles P-C4'-P energy: -10.667
tors. eta vs tors. theta energy: -9.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -107.008504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.008504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.008504 (E_RNA)
where:
Base-Base interactions energy: -43.393
where: short stacking energy: -23.011
Base-Backbone interact. energy: -0.671
local terms energy: -62.944448
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -19.372
flat angles P-C4'-P energy: -8.597
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: 6
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -97.353150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.353150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.353150 (E_RNA)
where:
Base-Base interactions energy: -35.805
where: short stacking energy: -27.905
Base-Backbone interact. energy: -0.338
local terms energy: -61.210213
where:
bonds (distance) C4'-P energy: -12.435
bonds (distance) P-C4' energy: -20.433
flat angles C4'-P-C4' energy: -18.239
flat angles P-C4'-P energy: -8.708
tors. eta vs tors. theta energy: -1.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -291.548846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.548846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.548846 (E_RNA)
where:
Base-Base interactions energy: -195.898
where: short stacking energy: -78.570
Base-Backbone interact. energy: -0.048
local terms energy: -95.602445
where:
bonds (distance) C4'-P energy: -18.178
bonds (distance) P-C4' energy: -19.560
flat angles C4'-P-C4' energy: -20.881
flat angles P-C4'-P energy: -11.478
tors. eta vs tors. theta energy: -25.506
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: 2, replica: 1
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -279.278670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.278670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.278670 (E_RNA)
where:
Base-Base interactions energy: -192.493
where: short stacking energy: -74.176
Base-Backbone interact. energy: -0.477
local terms energy: -86.309003
where:
bonds (distance) C4'-P energy: -17.771
bonds (distance) P-C4' energy: -14.909
flat angles C4'-P-C4' energy: -20.260
flat angles P-C4'-P energy: -15.975
tors. eta vs tors. theta energy: -17.393
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: 2
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -290.942761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.942761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.942761 (E_RNA)
where:
Base-Base interactions energy: -201.778
where: short stacking energy: -81.885
Base-Backbone interact. energy: -0.002
local terms energy: -89.162706
where:
bonds (distance) C4'-P energy: -18.580
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -17.633
flat angles P-C4'-P energy: -9.251
tors. eta vs tors. theta energy: -27.270
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: 4, replica: 4
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -248.831764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.831764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.831764 (E_RNA)
where:
Base-Base interactions energy: -173.750
where: short stacking energy: -68.373
Base-Backbone interact. energy: -0.233
local terms energy: -74.848718
where:
bonds (distance) C4'-P energy: -14.726
bonds (distance) P-C4' energy: -18.692
flat angles C4'-P-C4' energy: -12.601
flat angles P-C4'-P energy: -11.627
tors. eta vs tors. theta energy: -17.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 236
Temperature: 1.100000
Total energy: -266.804310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.804310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.804310 (E_RNA)
where:
Base-Base interactions energy: -184.085
where: short stacking energy: -73.837
Base-Backbone interact. energy: -0.505
local terms energy: -82.214574
where:
bonds (distance) C4'-P energy: -13.704
bonds (distance) P-C4' energy: -17.289
flat angles C4'-P-C4' energy: -19.030
flat angles P-C4'-P energy: -10.080
tors. eta vs tors. theta energy: -22.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -269.734848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.734848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.734848 (E_RNA)
where:
Base-Base interactions energy: -190.617
where: short stacking energy: -78.079
Base-Backbone interact. energy: -0.002
local terms energy: -79.115501
where:
bonds (distance) C4'-P energy: -13.455
bonds (distance) P-C4' energy: -10.701
flat angles C4'-P-C4' energy: -19.274
flat angles P-C4'-P energy: -11.392
tors. eta vs tors. theta energy: -24.293
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: 7, replica: 7
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -177.416669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.416669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.416669 (E_RNA)
where:
Base-Base interactions energy: -97.120
where: short stacking energy: -47.835
Base-Backbone interact. energy: -0.410
local terms energy: -79.887018
where:
bonds (distance) C4'-P energy: -15.632
bonds (distance) P-C4' energy: -22.889
flat angles C4'-P-C4' energy: -16.131
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: -15.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -171.639975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.639975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.639975 (E_RNA)
where:
Base-Base interactions energy: -96.659
where: short stacking energy: -49.190
Base-Backbone interact. energy: 1.334
local terms energy: -76.314107
where:
bonds (distance) C4'-P energy: -13.633
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -19.695
flat angles P-C4'-P energy: -12.785
tors. eta vs tors. theta energy: -14.819
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: 6
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -91.397449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.397449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.397449 (E_RNA)
where:
Base-Base interactions energy: -28.891
where: short stacking energy: -28.614
Base-Backbone interact. energy: 0.524
local terms energy: -63.029765
where:
bonds (distance) C4'-P energy: -17.595
bonds (distance) P-C4' energy: -18.675
flat angles C4'-P-C4' energy: -12.995
flat angles P-C4'-P energy: -9.651
tors. eta vs tors. theta energy: -4.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -87.165007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.165007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.165007 (E_RNA)
where:
Base-Base interactions energy: -36.086
where: short stacking energy: -18.499
Base-Backbone interact. energy: -0.361
local terms energy: -50.718094
where:
bonds (distance) C4'-P energy: -13.923
bonds (distance) P-C4' energy: -11.700
flat angles C4'-P-C4' energy: -15.982
flat angles P-C4'-P energy: -7.362
tors. eta vs tors. theta energy: -1.751
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: 9
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -294.058019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.058019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.058019 (E_RNA)
where:
Base-Base interactions energy: -194.552
where: short stacking energy: -80.765
Base-Backbone interact. energy: -2.943
local terms energy: -96.562744
where:
bonds (distance) C4'-P energy: -19.259
bonds (distance) P-C4' energy: -19.898
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -11.692
tors. eta vs tors. theta energy: -28.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -286.902257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.902257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.902257 (E_RNA)
where:
Base-Base interactions energy: -194.997
where: short stacking energy: -77.954
Base-Backbone interact. energy: -0.180
local terms energy: -91.725128
where:
bonds (distance) C4'-P energy: -17.096
bonds (distance) P-C4' energy: -19.538
flat angles C4'-P-C4' energy: -18.850
flat angles P-C4'-P energy: -12.246
tors. eta vs tors. theta energy: -23.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -295.896004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.896004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.896004 (E_RNA)
where:
Base-Base interactions energy: -203.924
where: short stacking energy: -82.977
Base-Backbone interact. energy: -0.329
local terms energy: -91.642660
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -19.727
flat angles C4'-P-C4' energy: -21.276
flat angles P-C4'-P energy: -11.409
tors. eta vs tors. theta energy: -24.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -278.575332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.575332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.575332 (E_RNA)
where:
Base-Base interactions energy: -182.874
where: short stacking energy: -69.350
Base-Backbone interact. energy: -0.339
local terms energy: -95.362332
where:
bonds (distance) C4'-P energy: -20.708
bonds (distance) P-C4' energy: -20.239
flat angles C4'-P-C4' energy: -16.781
flat angles P-C4'-P energy: -14.750
tors. eta vs tors. theta energy: -22.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -262.562809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.562809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.562809 (E_RNA)
where:
Base-Base interactions energy: -170.788
where: short stacking energy: -83.201
Base-Backbone interact. energy: -0.003
local terms energy: -91.771365
where:
bonds (distance) C4'-P energy: -15.081
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -21.379
flat angles P-C4'-P energy: -11.360
tors. eta vs tors. theta energy: -25.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -262.805094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.805094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.805094 (E_RNA)
where:
Base-Base interactions energy: -174.224
where: short stacking energy: -70.466
Base-Backbone interact. energy: -1.437
local terms energy: -87.144144
where:
bonds (distance) C4'-P energy: -13.612
bonds (distance) P-C4' energy: -14.253
flat angles C4'-P-C4' energy: -17.774
flat angles P-C4'-P energy: -14.726
tors. eta vs tors. theta energy: -26.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -208.759398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.759398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.759398 (E_RNA)
where:
Base-Base interactions energy: -128.693
where: short stacking energy: -55.289
Base-Backbone interact. energy: -0.950
local terms energy: -79.116298
where:
bonds (distance) C4'-P energy: -16.204
bonds (distance) P-C4' energy: -20.737
flat angles C4'-P-C4' energy: -17.757
flat angles P-C4'-P energy: -11.793
tors. eta vs tors. theta energy: -12.626
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: 8, replica: 8
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -147.917580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.917580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.917580 (E_RNA)
where:
Base-Base interactions energy: -82.601
where: short stacking energy: -37.053
Base-Backbone interact. energy: -1.502
local terms energy: -63.814599
where:
bonds (distance) C4'-P energy: -20.015
bonds (distance) P-C4' energy: -11.775
flat angles C4'-P-C4' energy: -14.124
flat angles P-C4'-P energy: -9.839
tors. eta vs tors. theta energy: -8.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -94.425212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.425212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.425212 (E_RNA)
where:
Base-Base interactions energy: -37.889
where: short stacking energy: -17.569
Base-Backbone interact. energy: -0.643
local terms energy: -55.892925
where:
bonds (distance) C4'-P energy: -17.838
bonds (distance) P-C4' energy: -19.999
flat angles C4'-P-C4' energy: -12.751
flat angles P-C4'-P energy: -4.298
tors. eta vs tors. theta energy: -1.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -86.140080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.140080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.140080 (E_RNA)
where:
Base-Base interactions energy: -27.205
where: short stacking energy: -27.205
Base-Backbone interact. energy: -0.093
local terms energy: -58.842356
where:
bonds (distance) C4'-P energy: -16.796
bonds (distance) P-C4' energy: -20.659
flat angles C4'-P-C4' energy: -14.180
flat angles P-C4'-P energy: -6.577
tors. eta vs tors. theta energy: -0.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -291.532690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.532690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.532690 (E_RNA)
where:
Base-Base interactions energy: -205.094
where: short stacking energy: -74.305
Base-Backbone interact. energy: -0.648
local terms energy: -85.790427
where:
bonds (distance) C4'-P energy: -17.720
bonds (distance) P-C4' energy: -16.825
flat angles C4'-P-C4' energy: -16.805
flat angles P-C4'-P energy: -13.856
tors. eta vs tors. theta energy: -20.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -284.914430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.914430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.914430 (E_RNA)
where:
Base-Base interactions energy: -196.076
where: short stacking energy: -82.005
Base-Backbone interact. energy: -0.159
local terms energy: -88.678894
where:
bonds (distance) C4'-P energy: -17.948
bonds (distance) P-C4' energy: -18.533
flat angles C4'-P-C4' energy: -16.921
flat angles P-C4'-P energy: -12.095
tors. eta vs tors. theta energy: -23.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -281.820421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.820421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.820421 (E_RNA)
where:
Base-Base interactions energy: -189.048
where: short stacking energy: -78.710
Base-Backbone interact. energy: -1.169
local terms energy: -91.603286
where:
bonds (distance) C4'-P energy: -17.639
bonds (distance) P-C4' energy: -19.192
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -12.463
tors. eta vs tors. theta energy: -25.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 238
Temperature: 1.050000
Total energy: -276.254785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.254785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.254785 (E_RNA)
where:
Base-Base interactions energy: -186.627
where: short stacking energy: -76.997
Base-Backbone interact. energy: -0.390
local terms energy: -89.238050
where:
bonds (distance) C4'-P energy: -19.891
bonds (distance) P-C4' energy: -16.255
flat angles C4'-P-C4' energy: -18.573
flat angles P-C4'-P energy: -10.843
tors. eta vs tors. theta energy: -23.675
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: 5
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -274.793926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.793926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.793926 (E_RNA)
where:
Base-Base interactions energy: -189.738
where: short stacking energy: -74.905
Base-Backbone interact. energy: -0.099
local terms energy: -84.957182
where:
bonds (distance) C4'-P energy: -8.555
bonds (distance) P-C4' energy: -20.518
flat angles C4'-P-C4' energy: -16.673
flat angles P-C4'-P energy: -13.429
tors. eta vs tors. theta energy: -25.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -269.606290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.606290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.606290 (E_RNA)
where:
Base-Base interactions energy: -188.268
where: short stacking energy: -69.377
Base-Backbone interact. energy: -0.331
local terms energy: -81.007803
where:
bonds (distance) C4'-P energy: -14.273
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -19.885
flat angles P-C4'-P energy: -16.198
tors. eta vs tors. theta energy: -17.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -185.563294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.563294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.563294 (E_RNA)
where:
Base-Base interactions energy: -112.862
where: short stacking energy: -46.435
Base-Backbone interact. energy: -0.845
local terms energy: -71.855946
where:
bonds (distance) C4'-P energy: -17.389
bonds (distance) P-C4' energy: -18.349
flat angles C4'-P-C4' energy: -15.981
flat angles P-C4'-P energy: -13.252
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: 7
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -191.906450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.906450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.906450 (E_RNA)
where:
Base-Base interactions energy: -115.675
where: short stacking energy: -53.690
Base-Backbone interact. energy: -0.055
local terms energy: -76.176842
where:
bonds (distance) C4'-P energy: -19.527
bonds (distance) P-C4' energy: -19.225
flat angles C4'-P-C4' energy: -14.171
flat angles P-C4'-P energy: -11.686
tors. eta vs tors. theta energy: -11.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -100.097302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.097302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.097302 (E_RNA)
where:
Base-Base interactions energy: -41.698
where: short stacking energy: -40.201
Base-Backbone interact. energy: -0.816
local terms energy: -57.583159
where:
bonds (distance) C4'-P energy: -19.498
bonds (distance) P-C4' energy: -18.639
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -4.030
tors. eta vs tors. theta energy: -1.649
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: 6
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -87.675883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.675883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.675883 (E_RNA)
where:
Base-Base interactions energy: -32.125
where: short stacking energy: -32.125
Base-Backbone interact. energy: -0.166
local terms energy: -55.385688
where:
bonds (distance) C4'-P energy: -14.667
bonds (distance) P-C4' energy: -13.476
flat angles C4'-P-C4' energy: -15.824
flat angles P-C4'-P energy: -5.293
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: 1, replica: 1
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -290.530070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.530070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.530070 (E_RNA)
where:
Base-Base interactions energy: -201.895
where: short stacking energy: -68.637
Base-Backbone interact. energy: -0.624
local terms energy: -88.010779
where:
bonds (distance) C4'-P energy: -18.510
bonds (distance) P-C4' energy: -18.111
flat angles C4'-P-C4' energy: -18.582
flat angles P-C4'-P energy: -11.374
tors. eta vs tors. theta energy: -21.434
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: 3
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -284.044973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.044973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.044973 (E_RNA)
where:
Base-Base interactions energy: -197.697
where: short stacking energy: -76.936
Base-Backbone interact. energy: -0.921
local terms energy: -85.426980
where:
bonds (distance) C4'-P energy: -20.741
bonds (distance) P-C4' energy: -19.552
flat angles C4'-P-C4' energy: -18.550
flat angles P-C4'-P energy: -4.415
tors. eta vs tors. theta energy: -22.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -280.357087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.357087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.357087 (E_RNA)
where:
Base-Base interactions energy: -193.302
where: short stacking energy: -78.855
Base-Backbone interact. energy: -0.043
local terms energy: -87.012565
where:
bonds (distance) C4'-P energy: -19.664
bonds (distance) P-C4' energy: -17.925
flat angles C4'-P-C4' energy: -17.122
flat angles P-C4'-P energy: -5.541
tors. eta vs tors. theta energy: -26.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -281.721066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.721066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.721066 (E_RNA)
where:
Base-Base interactions energy: -193.133
where: short stacking energy: -77.523
Base-Backbone interact. energy: -0.018
local terms energy: -88.570056
where:
bonds (distance) C4'-P energy: -16.941
bonds (distance) P-C4' energy: -18.605
flat angles C4'-P-C4' energy: -13.452
flat angles P-C4'-P energy: -13.215
tors. eta vs tors. theta energy: -26.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -269.309134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.309134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.309134 (E_RNA)
where:
Base-Base interactions energy: -180.777
where: short stacking energy: -73.900
Base-Backbone interact. energy: -0.272
local terms energy: -88.260566
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -15.673
flat angles C4'-P-C4' energy: -13.969
flat angles P-C4'-P energy: -12.319
tors. eta vs tors. theta energy: -29.836
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: 4
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -267.397080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.397080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.397080 (E_RNA)
where:
Base-Base interactions energy: -182.275
where: short stacking energy: -74.994
Base-Backbone interact. energy: -0.011
local terms energy: -85.111086
where:
bonds (distance) C4'-P energy: -15.757
bonds (distance) P-C4' energy: -15.940
flat angles C4'-P-C4' energy: -18.199
flat angles P-C4'-P energy: -12.492
tors. eta vs tors. theta energy: -22.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -169.303175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.303175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.303175 (E_RNA)
where:
Base-Base interactions energy: -100.661
where: short stacking energy: -40.621
Base-Backbone interact. energy: -0.148
local terms energy: -68.494467
where:
bonds (distance) C4'-P energy: -15.860
bonds (distance) P-C4' energy: -20.434
flat angles C4'-P-C4' energy: -18.825
flat angles P-C4'-P energy: -6.863
tors. eta vs tors. theta energy: -6.513
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: 7
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -174.301162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.301162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.301162 (E_RNA)
where:
Base-Base interactions energy: -115.636
where: short stacking energy: -55.558
Base-Backbone interact. energy: -0.449
local terms energy: -58.215927
where:
bonds (distance) C4'-P energy: -13.949
bonds (distance) P-C4' energy: -12.179
flat angles C4'-P-C4' energy: -17.216
flat angles P-C4'-P energy: -5.771
tors. eta vs tors. theta energy: -9.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -102.773445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.773445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.773445 (E_RNA)
where:
Base-Base interactions energy: -38.956
where: short stacking energy: -39.265
Base-Backbone interact. energy: -0.203
local terms energy: -63.614016
where:
bonds (distance) C4'-P energy: -20.558
bonds (distance) P-C4' energy: -11.617
flat angles C4'-P-C4' energy: -13.997
flat angles P-C4'-P energy: -9.711
tors. eta vs tors. theta energy: -7.731
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: 6
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -88.107385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.107385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.107385 (E_RNA)
where:
Base-Base interactions energy: -30.578
where: short stacking energy: -19.028
Base-Backbone interact. energy: 0.069
local terms energy: -57.598410
where:
bonds (distance) C4'-P energy: -14.990
bonds (distance) P-C4' energy: -19.062
flat angles C4'-P-C4' energy: -13.239
flat angles P-C4'-P energy: -12.033
tors. eta vs tors. theta energy: 1.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -293.570870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.570870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.570870 (E_RNA)
where:
Base-Base interactions energy: -198.371
where: short stacking energy: -72.590
Base-Backbone interact. energy: -1.769
local terms energy: -93.430646
where:
bonds (distance) C4'-P energy: -17.144
bonds (distance) P-C4' energy: -18.274
flat angles C4'-P-C4' energy: -19.944
flat angles P-C4'-P energy: -15.090
tors. eta vs tors. theta energy: -22.979
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: 1
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -289.390029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.390029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.390029 (E_RNA)
where:
Base-Base interactions energy: -199.938
where: short stacking energy: -75.709
Base-Backbone interact. energy: -0.214
local terms energy: -89.238164
where:
bonds (distance) C4'-P energy: -17.723
bonds (distance) P-C4' energy: -18.557
flat angles C4'-P-C4' energy: -17.138
flat angles P-C4'-P energy: -13.248
tors. eta vs tors. theta energy: -22.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -279.334299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.334299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.334299 (E_RNA)
where:
Base-Base interactions energy: -190.327
where: short stacking energy: -79.598
Base-Backbone interact. energy: -0.004
local terms energy: -89.003431
where:
bonds (distance) C4'-P energy: -14.573
bonds (distance) P-C4' energy: -17.565
flat angles C4'-P-C4' energy: -17.141
flat angles P-C4'-P energy: -15.961
tors. eta vs tors. theta energy: -23.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 240
Temperature: 1.050000
Total energy: -288.610679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.610679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.610679 (E_RNA)
where:
Base-Base interactions energy: -191.878
where: short stacking energy: -78.509
Base-Backbone interact. energy: -1.482
local terms energy: -95.250588
where:
bonds (distance) C4'-P energy: -20.940
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -19.281
flat angles P-C4'-P energy: -12.270
tors. eta vs tors. theta energy: -26.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -275.553425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.553425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.553425 (E_RNA)
where:
Base-Base interactions energy: -186.386
where: short stacking energy: -73.391
Base-Backbone interact. energy: -0.008
local terms energy: -89.159649
where:
bonds (distance) C4'-P energy: -19.153
bonds (distance) P-C4' energy: -18.842
flat angles C4'-P-C4' energy: -17.213
flat angles P-C4'-P energy: -10.040
tors. eta vs tors. theta energy: -23.912
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: 2
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -271.587271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.587271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.587271 (E_RNA)
where:
Base-Base interactions energy: -187.256
where: short stacking energy: -73.472
Base-Backbone interact. energy: -0.985
local terms energy: -83.347102
where:
bonds (distance) C4'-P energy: -14.689
bonds (distance) P-C4' energy: -16.617
flat angles C4'-P-C4' energy: -17.591
flat angles P-C4'-P energy: -13.918
tors. eta vs tors. theta energy: -20.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -175.444588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.444588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.444588 (E_RNA)
where:
Base-Base interactions energy: -97.456
where: short stacking energy: -55.495
Base-Backbone interact. energy: -0.293
local terms energy: -77.695783
where:
bonds (distance) C4'-P energy: -9.327
bonds (distance) P-C4' energy: -20.380
flat angles C4'-P-C4' energy: -16.632
flat angles P-C4'-P energy: -14.399
tors. eta vs tors. theta energy: -16.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -153.763000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.763000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.763000 (E_RNA)
where:
Base-Base interactions energy: -84.417
where: short stacking energy: -43.813
Base-Backbone interact. energy: -0.210
local terms energy: -69.136759
where:
bonds (distance) C4'-P energy: -19.167
bonds (distance) P-C4' energy: -19.516
flat angles C4'-P-C4' energy: -10.780
flat angles P-C4'-P energy: -10.692
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: 9, replica: 6
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -102.430765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.430765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.430765 (E_RNA)
where:
Base-Base interactions energy: -35.583
where: short stacking energy: -29.935
Base-Backbone interact. energy: -0.200
local terms energy: -66.647851
where:
bonds (distance) C4'-P energy: -19.644
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -13.741
flat angles P-C4'-P energy: -11.556
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: 10
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -92.594731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.594731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.594731 (E_RNA)
where:
Base-Base interactions energy: -32.276
where: short stacking energy: -19.924
Base-Backbone interact. energy: 0.081
local terms energy: -60.400047
where:
bonds (distance) C4'-P energy: -12.635
bonds (distance) P-C4' energy: -19.650
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -8.767
tors. eta vs tors. theta energy: -2.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -293.816317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.816317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.816317 (E_RNA)
where:
Base-Base interactions energy: -197.914
where: short stacking energy: -85.068
Base-Backbone interact. energy: -0.118
local terms energy: -95.784711
where:
bonds (distance) C4'-P energy: -20.989
bonds (distance) P-C4' energy: -18.896
flat angles C4'-P-C4' energy: -17.868
flat angles P-C4'-P energy: -15.768
tors. eta vs tors. theta energy: -22.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -285.512046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.512046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.512046 (E_RNA)
where:
Base-Base interactions energy: -193.133
where: short stacking energy: -81.711
Base-Backbone interact. energy: -0.585
local terms energy: -91.793568
where:
bonds (distance) C4'-P energy: -15.161
bonds (distance) P-C4' energy: -16.503
flat angles C4'-P-C4' energy: -19.261
flat angles P-C4'-P energy: -15.549
tors. eta vs tors. theta energy: -25.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -292.012724 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.012724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.012724 (E_RNA)
where:
Base-Base interactions energy: -198.172
where: short stacking energy: -82.038
Base-Backbone interact. energy: -0.663
local terms energy: -93.177718
where:
bonds (distance) C4'-P energy: -17.131
bonds (distance) P-C4' energy: -21.536
flat angles C4'-P-C4' energy: -18.123
flat angles P-C4'-P energy: -9.703
tors. eta vs tors. theta energy: -26.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -277.110461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.110461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.110461 (E_RNA)
where:
Base-Base interactions energy: -182.877
where: short stacking energy: -70.636
Base-Backbone interact. energy: -0.041
local terms energy: -94.192724
where:
bonds (distance) C4'-P energy: -18.317
bonds (distance) P-C4' energy: -17.359
flat angles C4'-P-C4' energy: -18.949
flat angles P-C4'-P energy: -14.434
tors. eta vs tors. theta energy: -25.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -271.907397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.907397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.907397 (E_RNA)
where:
Base-Base interactions energy: -181.354
where: short stacking energy: -76.912
Base-Backbone interact. energy: 1.402
local terms energy: -91.955779
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -19.187
flat angles C4'-P-C4' energy: -19.973
flat angles P-C4'-P energy: -13.432
tors. eta vs tors. theta energy: -24.178
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -272.316462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.316462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.316462 (E_RNA)
where:
Base-Base interactions energy: -187.477
where: short stacking energy: -74.599
Base-Backbone interact. energy: -0.624
local terms energy: -84.215511
where:
bonds (distance) C4'-P energy: -17.367
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -19.280
flat angles P-C4'-P energy: -12.435
tors. eta vs tors. theta energy: -19.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -160.175327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.175327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.175327 (E_RNA)
where:
Base-Base interactions energy: -92.247
where: short stacking energy: -49.790
Base-Backbone interact. energy: -0.199
local terms energy: -67.729537
where:
bonds (distance) C4'-P energy: -15.185
bonds (distance) P-C4' energy: -17.745
flat angles C4'-P-C4' energy: -18.890
flat angles P-C4'-P energy: -10.123
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: 8, replica: 6
=====================================
Write number: 241
Temperature: 1.250000
Total energy: -102.816423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.816423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.816423 (E_RNA)
where:
Base-Base interactions energy: -38.245
where: short stacking energy: -30.336
Base-Backbone interact. energy: -0.106
local terms energy: -64.465884
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -19.508
flat angles C4'-P-C4' energy: -13.450
flat angles P-C4'-P energy: -10.458
tors. eta vs tors. theta energy: -7.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -146.995837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.995837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.995837 (E_RNA)
where:
Base-Base interactions energy: -90.268
where: short stacking energy: -36.269
Base-Backbone interact. energy: -0.175
local terms energy: -56.552136
where:
bonds (distance) C4'-P energy: -11.948
bonds (distance) P-C4' energy: -11.716
flat angles C4'-P-C4' energy: -18.802
flat angles P-C4'-P energy: -9.958
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: 10, replica: 10
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -95.139494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.139494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.139494 (E_RNA)
where:
Base-Base interactions energy: -32.080
where: short stacking energy: -29.678
Base-Backbone interact. energy: -1.215
local terms energy: -61.844521
where:
bonds (distance) C4'-P energy: -11.894
bonds (distance) P-C4' energy: -16.172
flat angles C4'-P-C4' energy: -19.219
flat angles P-C4'-P energy: -6.025
tors. eta vs tors. theta energy: -8.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -296.407168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.407168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.407168 (E_RNA)
where:
Base-Base interactions energy: -197.922
where: short stacking energy: -80.623
Base-Backbone interact. energy: -1.730
local terms energy: -96.754549
where:
bonds (distance) C4'-P energy: -18.435
bonds (distance) P-C4' energy: -18.553
flat angles C4'-P-C4' energy: -20.341
flat angles P-C4'-P energy: -13.794
tors. eta vs tors. theta energy: -25.632
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: 2, replica: 3
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -288.342002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.342002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.342002 (E_RNA)
where:
Base-Base interactions energy: -190.673
where: short stacking energy: -79.860
Base-Backbone interact. energy: 0.204
local terms energy: -97.872669
where:
bonds (distance) C4'-P energy: -20.521
bonds (distance) P-C4' energy: -19.827
flat angles C4'-P-C4' energy: -19.366
flat angles P-C4'-P energy: -14.120
tors. eta vs tors. theta energy: -24.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -277.764338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.764338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.764338 (E_RNA)
where:
Base-Base interactions energy: -187.985
where: short stacking energy: -77.139
Base-Backbone interact. energy: 0.077
local terms energy: -89.856390
where:
bonds (distance) C4'-P energy: -16.419
bonds (distance) P-C4' energy: -20.626
flat angles C4'-P-C4' energy: -17.302
flat angles P-C4'-P energy: -12.803
tors. eta vs tors. theta energy: -22.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -290.346829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.346829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.346829 (E_RNA)
where:
Base-Base interactions energy: -209.928
where: short stacking energy: -78.962
Base-Backbone interact. energy: 0.294
local terms energy: -80.712952
where:
bonds (distance) C4'-P energy: -16.242
bonds (distance) P-C4' energy: -15.133
flat angles C4'-P-C4' energy: -17.639
flat angles P-C4'-P energy: -8.533
tors. eta vs tors. theta energy: -23.167
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: 2
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -270.987108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.987108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.987108 (E_RNA)
where:
Base-Base interactions energy: -185.310
where: short stacking energy: -78.106
Base-Backbone interact. energy: -0.795
local terms energy: -84.882371
where:
bonds (distance) C4'-P energy: -12.341
bonds (distance) P-C4' energy: -20.277
flat angles C4'-P-C4' energy: -19.067
flat angles P-C4'-P energy: -10.318
tors. eta vs tors. theta energy: -22.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -255.667139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.667139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.667139 (E_RNA)
where:
Base-Base interactions energy: -172.642
where: short stacking energy: -56.257
Base-Backbone interact. energy: -0.300
local terms energy: -82.725694
where:
bonds (distance) C4'-P energy: -13.806
bonds (distance) P-C4' energy: -23.157
flat angles C4'-P-C4' energy: -16.457
flat angles P-C4'-P energy: -8.199
tors. eta vs tors. theta energy: -21.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -103.934211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.934211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.934211 (E_RNA)
where:
Base-Base interactions energy: -37.545
where: short stacking energy: -23.184
Base-Backbone interact. energy: -0.204
local terms energy: -66.184555
where:
bonds (distance) C4'-P energy: -13.443
bonds (distance) P-C4' energy: -20.169
flat angles C4'-P-C4' energy: -18.177
flat angles P-C4'-P energy: -10.200
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: 8, replica: 7
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -150.030987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.030987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.030987 (E_RNA)
where:
Base-Base interactions energy: -83.161
where: short stacking energy: -33.772
Base-Backbone interact. energy: -0.103
local terms energy: -66.766671
where:
bonds (distance) C4'-P energy: -13.424
bonds (distance) P-C4' energy: -19.684
flat angles C4'-P-C4' energy: -11.203
flat angles P-C4'-P energy: -16.575
tors. eta vs tors. theta energy: -5.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -173.222754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.222754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.222754 (E_RNA)
where:
Base-Base interactions energy: -101.328
where: short stacking energy: -50.932
Base-Backbone interact. energy: -0.116
local terms energy: -71.778751
where:
bonds (distance) C4'-P energy: -17.565
bonds (distance) P-C4' energy: -15.865
flat angles C4'-P-C4' energy: -12.501
flat angles P-C4'-P energy: -11.999
tors. eta vs tors. theta energy: -13.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -90.398813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.398813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.398813 (E_RNA)
where:
Base-Base interactions energy: -40.818
where: short stacking energy: -19.843
Base-Backbone interact. energy: -0.292
local terms energy: -49.287989
where:
bonds (distance) C4'-P energy: -14.923
bonds (distance) P-C4' energy: -13.587
flat angles C4'-P-C4' energy: -9.998
flat angles P-C4'-P energy: -12.047
tors. eta vs tors. theta energy: 1.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -290.254157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.254157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.254157 (E_RNA)
where:
Base-Base interactions energy: -199.894
where: short stacking energy: -78.887
Base-Backbone interact. energy: -1.063
local terms energy: -89.296937
where:
bonds (distance) C4'-P energy: -13.244
bonds (distance) P-C4' energy: -19.343
flat angles C4'-P-C4' energy: -18.451
flat angles P-C4'-P energy: -14.327
tors. eta vs tors. theta energy: -23.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -286.349324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.349324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.349324 (E_RNA)
where:
Base-Base interactions energy: -194.535
where: short stacking energy: -84.289
Base-Backbone interact. energy: 0.001
local terms energy: -91.814591
where:
bonds (distance) C4'-P energy: -16.606
bonds (distance) P-C4' energy: -17.953
flat angles C4'-P-C4' energy: -17.798
flat angles P-C4'-P energy: -13.103
tors. eta vs tors. theta energy: -26.355
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: 243
Temperature: 1.000000
Total energy: -291.926322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.926322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.926322 (E_RNA)
where:
Base-Base interactions energy: -190.834
where: short stacking energy: -79.851
Base-Backbone interact. energy: -2.622
local terms energy: -98.469444
where:
bonds (distance) C4'-P energy: -20.808
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -18.455
flat angles P-C4'-P energy: -17.233
tors. eta vs tors. theta energy: -26.445
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: 5
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -274.525005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.525005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.525005 (E_RNA)
where:
Base-Base interactions energy: -182.571
where: short stacking energy: -76.532
Base-Backbone interact. energy: -0.554
local terms energy: -91.399528
where:
bonds (distance) C4'-P energy: -18.758
bonds (distance) P-C4' energy: -14.732
flat angles C4'-P-C4' energy: -18.841
flat angles P-C4'-P energy: -13.519
tors. eta vs tors. theta energy: -25.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -268.169201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.169201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.169201 (E_RNA)
where:
Base-Base interactions energy: -181.332
where: short stacking energy: -68.037
Base-Backbone interact. energy: -0.625
local terms energy: -86.212702
where:
bonds (distance) C4'-P energy: -17.272
bonds (distance) P-C4' energy: -16.643
flat angles C4'-P-C4' energy: -19.543
flat angles P-C4'-P energy: -11.636
tors. eta vs tors. theta energy: -21.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -270.101111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.101111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.101111 (E_RNA)
where:
Base-Base interactions energy: -188.843
where: short stacking energy: -78.029
Base-Backbone interact. energy: -0.066
local terms energy: -81.191912
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -18.131
flat angles C4'-P-C4' energy: -17.495
flat angles P-C4'-P energy: -10.777
tors. eta vs tors. theta energy: -20.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -114.629566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.629566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.629566 (E_RNA)
where:
Base-Base interactions energy: -53.003
where: short stacking energy: -26.214
Base-Backbone interact. energy: -0.693
local terms energy: -60.934144
where:
bonds (distance) C4'-P energy: -17.342
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -13.379
flat angles P-C4'-P energy: -11.455
tors. eta vs tors. theta energy: -1.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -138.252549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.252549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.252549 (E_RNA)
where:
Base-Base interactions energy: -85.905
where: short stacking energy: -40.967
Base-Backbone interact. energy: -1.011
local terms energy: -51.336163
where:
bonds (distance) C4'-P energy: -12.995
bonds (distance) P-C4' energy: -17.882
flat angles C4'-P-C4' energy: -13.642
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: 5.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -156.473639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.473639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.473639 (E_RNA)
where:
Base-Base interactions energy: -91.325
where: short stacking energy: -41.056
Base-Backbone interact. energy: -0.128
local terms energy: -65.020766
where:
bonds (distance) C4'-P energy: -16.448
bonds (distance) P-C4' energy: -12.598
flat angles C4'-P-C4' energy: -8.717
flat angles P-C4'-P energy: -16.028
tors. eta vs tors. theta energy: -11.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -94.310447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.310447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.310447 (E_RNA)
where:
Base-Base interactions energy: -41.338
where: short stacking energy: -36.785
Base-Backbone interact. energy: -0.150
local terms energy: -52.822396
where:
bonds (distance) C4'-P energy: -11.931
bonds (distance) P-C4' energy: -22.026
flat angles C4'-P-C4' energy: -16.886
flat angles P-C4'-P energy: -5.557
tors. eta vs tors. theta energy: 3.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -294.598943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.598943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.598943 (E_RNA)
where:
Base-Base interactions energy: -192.787
where: short stacking energy: -81.600
Base-Backbone interact. energy: -0.001
local terms energy: -101.810732
where:
bonds (distance) C4'-P energy: -18.800
bonds (distance) P-C4' energy: -22.935
flat angles C4'-P-C4' energy: -20.119
flat angles P-C4'-P energy: -14.190
tors. eta vs tors. theta energy: -25.766
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: 9
=====================================
Write number: 244
Temperature: 0.950000
Total energy: -293.665167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.665167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.665167 (E_RNA)
where:
Base-Base interactions energy: -200.612
where: short stacking energy: -87.329
Base-Backbone interact. energy: -0.425
local terms energy: -92.628203
where:
bonds (distance) C4'-P energy: -20.856
bonds (distance) P-C4' energy: -16.323
flat angles C4'-P-C4' energy: -18.079
flat angles P-C4'-P energy: -12.167
tors. eta vs tors. theta energy: -25.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -285.923245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.923245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.923245 (E_RNA)
where:
Base-Base interactions energy: -196.457
where: short stacking energy: -80.560
Base-Backbone interact. energy: -1.909
local terms energy: -87.557239
where:
bonds (distance) C4'-P energy: -15.504
bonds (distance) P-C4' energy: -15.136
flat angles C4'-P-C4' energy: -16.105
flat angles P-C4'-P energy: -13.754
tors. eta vs tors. theta energy: -27.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -277.481516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.481516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.481516 (E_RNA)
where:
Base-Base interactions energy: -189.311
where: short stacking energy: -82.090
Base-Backbone interact. energy: -0.779
local terms energy: -87.391233
where:
bonds (distance) C4'-P energy: -15.574
bonds (distance) P-C4' energy: -19.270
flat angles C4'-P-C4' energy: -18.825
flat angles P-C4'-P energy: -10.080
tors. eta vs tors. theta energy: -23.642
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: 4
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -276.534606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.534606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.534606 (E_RNA)
where:
Base-Base interactions energy: -187.796
where: short stacking energy: -74.813
Base-Backbone interact. energy: -1.448
local terms energy: -87.290863
where:
bonds (distance) C4'-P energy: -15.069
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -14.005
flat angles P-C4'-P energy: -14.471
tors. eta vs tors. theta energy: -25.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -264.946859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.946859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.946859 (E_RNA)
where:
Base-Base interactions energy: -180.639
where: short stacking energy: -67.011
Base-Backbone interact. energy: -0.122
local terms energy: -84.185189
where:
bonds (distance) C4'-P energy: -14.254
bonds (distance) P-C4' energy: -21.148
flat angles C4'-P-C4' energy: -17.612
flat angles P-C4'-P energy: -12.579
tors. eta vs tors. theta energy: -18.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -169.510967 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.510967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.510967 (E_RNA)
where:
Base-Base interactions energy: -92.482
where: short stacking energy: -47.856
Base-Backbone interact. energy: -0.194
local terms energy: -76.835301
where:
bonds (distance) C4'-P energy: -20.521
bonds (distance) P-C4' energy: -20.240
flat angles C4'-P-C4' energy: -16.289
flat angles P-C4'-P energy: -15.321
tors. eta vs tors. theta energy: -4.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -97.403249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.403249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.403249 (E_RNA)
where:
Base-Base interactions energy: -34.648
where: short stacking energy: -33.233
Base-Backbone interact. energy: -0.540
local terms energy: -62.214695
where:
bonds (distance) C4'-P energy: -13.888
bonds (distance) P-C4' energy: -18.682
flat angles C4'-P-C4' energy: -17.967
flat angles P-C4'-P energy: -9.855
tors. eta vs tors. theta energy: -1.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -161.339955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.339955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.339955 (E_RNA)
where:
Base-Base interactions energy: -99.616
where: short stacking energy: -45.665
Base-Backbone interact. energy: 0.055
local terms energy: -61.779096
where:
bonds (distance) C4'-P energy: -13.931
bonds (distance) P-C4' energy: -16.885
flat angles C4'-P-C4' energy: -16.200
flat angles P-C4'-P energy: -6.101
tors. eta vs tors. theta energy: -8.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -90.774082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.774082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.774082 (E_RNA)
where:
Base-Base interactions energy: -33.892
where: short stacking energy: -33.892
Base-Backbone interact. energy: -0.170
local terms energy: -56.711717
where:
bonds (distance) C4'-P energy: -18.836
bonds (distance) P-C4' energy: -15.673
flat angles C4'-P-C4' energy: -13.950
flat angles P-C4'-P energy: -7.580
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: 1
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -293.206792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.206792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.206792 (E_RNA)
where:
Base-Base interactions energy: -194.831
where: short stacking energy: -83.551
Base-Backbone interact. energy: -0.003
local terms energy: -98.372657
where:
bonds (distance) C4'-P energy: -19.963
bonds (distance) P-C4' energy: -19.139
flat angles C4'-P-C4' energy: -18.752
flat angles P-C4'-P energy: -13.132
tors. eta vs tors. theta energy: -27.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -291.655053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.655053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.655053 (E_RNA)
where:
Base-Base interactions energy: -195.040
where: short stacking energy: -78.935
Base-Backbone interact. energy: -0.405
local terms energy: -96.209585
where:
bonds (distance) C4'-P energy: -19.697
bonds (distance) P-C4' energy: -18.251
flat angles C4'-P-C4' energy: -19.941
flat angles P-C4'-P energy: -10.989
tors. eta vs tors. theta energy: -27.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -276.599184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.599184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.599184 (E_RNA)
where:
Base-Base interactions energy: -191.849
where: short stacking energy: -75.304
Base-Backbone interact. energy: -0.078
local terms energy: -84.672242
where:
bonds (distance) C4'-P energy: -13.600
bonds (distance) P-C4' energy: -16.036
flat angles C4'-P-C4' energy: -16.259
flat angles P-C4'-P energy: -16.246
tors. eta vs tors. theta energy: -22.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -275.028994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.028994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.028994 (E_RNA)
where:
Base-Base interactions energy: -190.198
where: short stacking energy: -73.753
Base-Backbone interact. energy: -0.031
local terms energy: -84.799948
where:
bonds (distance) C4'-P energy: -19.767
bonds (distance) P-C4' energy: -10.775
flat angles C4'-P-C4' energy: -20.237
flat angles P-C4'-P energy: -13.413
tors. eta vs tors. theta energy: -20.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -275.337862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.337862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.337862 (E_RNA)
where:
Base-Base interactions energy: -195.613
where: short stacking energy: -79.918
Base-Backbone interact. energy: -1.843
local terms energy: -77.881890
where:
bonds (distance) C4'-P energy: -10.528
bonds (distance) P-C4' energy: -16.715
flat angles C4'-P-C4' energy: -16.088
flat angles P-C4'-P energy: -9.162
tors. eta vs tors. theta energy: -25.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -270.860896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.860896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.860896 (E_RNA)
where:
Base-Base interactions energy: -177.590
where: short stacking energy: -67.781
Base-Backbone interact. energy: -2.712
local terms energy: -90.558768
where:
bonds (distance) C4'-P energy: -15.541
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -15.882
flat angles P-C4'-P energy: -13.854
tors. eta vs tors. theta energy: -28.313
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: 7, replica: 7
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -186.226034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.226034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.226034 (E_RNA)
where:
Base-Base interactions energy: -113.251
where: short stacking energy: -51.528
Base-Backbone interact. energy: -1.035
local terms energy: -71.940069
where:
bonds (distance) C4'-P energy: -14.449
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -17.573
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -13.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -178.283543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.283543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.283543 (E_RNA)
where:
Base-Base interactions energy: -112.989
where: short stacking energy: -51.816
Base-Backbone interact. energy: -0.239
local terms energy: -65.055592
where:
bonds (distance) C4'-P energy: -10.142
bonds (distance) P-C4' energy: -18.650
flat angles C4'-P-C4' energy: -15.709
flat angles P-C4'-P energy: -6.106
tors. eta vs tors. theta energy: -14.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -87.597258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.597258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.597258 (E_RNA)
where:
Base-Base interactions energy: -30.512
where: short stacking energy: -28.117
Base-Backbone interact. energy: -0.125
local terms energy: -56.960148
where:
bonds (distance) C4'-P energy: -12.120
bonds (distance) P-C4' energy: -18.773
flat angles C4'-P-C4' energy: -14.737
flat angles P-C4'-P energy: -7.894
tors. eta vs tors. theta energy: -3.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -92.564036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.564036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.564036 (E_RNA)
where:
Base-Base interactions energy: -33.858
where: short stacking energy: -34.834
Base-Backbone interact. energy: -0.301
local terms energy: -58.404834
where:
bonds (distance) C4'-P energy: -18.357
bonds (distance) P-C4' energy: -13.910
flat angles C4'-P-C4' energy: -16.371
flat angles P-C4'-P energy: -2.663
tors. eta vs tors. theta energy: -7.105
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: 5
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -294.809833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.809833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.809833 (E_RNA)
where:
Base-Base interactions energy: -201.831
where: short stacking energy: -78.783
Base-Backbone interact. energy: -0.347
local terms energy: -92.632409
where:
bonds (distance) C4'-P energy: -15.356
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -20.538
flat angles P-C4'-P energy: -16.254
tors. eta vs tors. theta energy: -22.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 246
Temperature: 0.950000
Total energy: -285.542218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.542218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.542218 (E_RNA)
where:
Base-Base interactions energy: -189.729
where: short stacking energy: -78.642
Base-Backbone interact. energy: -0.753
local terms energy: -95.059895
where:
bonds (distance) C4'-P energy: -13.661
bonds (distance) P-C4' energy: -19.961
flat angles C4'-P-C4' energy: -18.923
flat angles P-C4'-P energy: -15.885
tors. eta vs tors. theta energy: -26.630
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: 4
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -286.232382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.232382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.232382 (E_RNA)
where:
Base-Base interactions energy: -193.476
where: short stacking energy: -74.906
Base-Backbone interact. energy: 1.258
local terms energy: -94.014145
where:
bonds (distance) C4'-P energy: -13.859
bonds (distance) P-C4' energy: -20.396
flat angles C4'-P-C4' energy: -21.928
flat angles P-C4'-P energy: -13.318
tors. eta vs tors. theta energy: -24.513
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: 4, replica: 9
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -278.201686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.201686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.201686 (E_RNA)
where:
Base-Base interactions energy: -189.284
where: short stacking energy: -79.163
Base-Backbone interact. energy: -0.045
local terms energy: -88.872571
where:
bonds (distance) C4'-P energy: -18.188
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -16.547
flat angles P-C4'-P energy: -11.335
tors. eta vs tors. theta energy: -25.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -277.528176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.528176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.528176 (E_RNA)
where:
Base-Base interactions energy: -185.362
where: short stacking energy: -71.602
Base-Backbone interact. energy: -0.124
local terms energy: -92.041968
where:
bonds (distance) C4'-P energy: -17.843
bonds (distance) P-C4' energy: -18.510
flat angles C4'-P-C4' energy: -16.252
flat angles P-C4'-P energy: -15.003
tors. eta vs tors. theta energy: -24.434
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: 3
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -281.345827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.345827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.345827 (E_RNA)
where:
Base-Base interactions energy: -192.945
where: short stacking energy: -74.020
Base-Backbone interact. energy: -0.580
local terms energy: -87.821619
where:
bonds (distance) C4'-P energy: -18.521
bonds (distance) P-C4' energy: -19.510
flat angles C4'-P-C4' energy: -17.812
flat angles P-C4'-P energy: -10.686
tors. eta vs tors. theta energy: -21.293
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: 7, replica: 8
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -214.245167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.245167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.245167 (E_RNA)
where:
Base-Base interactions energy: -132.248
where: short stacking energy: -51.405
Base-Backbone interact. energy: -2.469
local terms energy: -79.527975
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -16.059
flat angles C4'-P-C4' energy: -19.080
flat angles P-C4'-P energy: -11.452
tors. eta vs tors. theta energy: -18.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -178.115307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.115307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.115307 (E_RNA)
where:
Base-Base interactions energy: -99.134
where: short stacking energy: -45.452
Base-Backbone interact. energy: -0.373
local terms energy: -78.607828
where:
bonds (distance) C4'-P energy: -16.625
bonds (distance) P-C4' energy: -18.084
flat angles C4'-P-C4' energy: -18.591
flat angles P-C4'-P energy: -11.493
tors. eta vs tors. theta energy: -13.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -90.933849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.933849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.933849 (E_RNA)
where:
Base-Base interactions energy: -41.896
where: short stacking energy: -34.710
Base-Backbone interact. energy: 0.490
local terms energy: -49.528664
where:
bonds (distance) C4'-P energy: -13.893
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -9.042
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: -2.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -85.526149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.526149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.526149 (E_RNA)
where:
Base-Base interactions energy: -30.700
where: short stacking energy: -29.438
Base-Backbone interact. energy: -0.484
local terms energy: -54.342242
where:
bonds (distance) C4'-P energy: -16.129
bonds (distance) P-C4' energy: -18.216
flat angles C4'-P-C4' energy: -14.194
flat angles P-C4'-P energy: -3.470
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: 1, replica: 5
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -291.535052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.535052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.535052 (E_RNA)
where:
Base-Base interactions energy: -199.807
where: short stacking energy: -78.865
Base-Backbone interact. energy: -0.539
local terms energy: -91.188814
where:
bonds (distance) C4'-P energy: -18.282
bonds (distance) P-C4' energy: -19.388
flat angles C4'-P-C4' energy: -17.225
flat angles P-C4'-P energy: -14.065
tors. eta vs tors. theta energy: -22.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -286.794376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.794376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.794376 (E_RNA)
where:
Base-Base interactions energy: -195.561
where: short stacking energy: -83.695
Base-Backbone interact. energy: -0.305
local terms energy: -90.928654
where:
bonds (distance) C4'-P energy: -16.533
bonds (distance) P-C4' energy: -14.383
flat angles C4'-P-C4' energy: -20.652
flat angles P-C4'-P energy: -11.873
tors. eta vs tors. theta energy: -27.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -283.931941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.931941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.931941 (E_RNA)
where:
Base-Base interactions energy: -189.737
where: short stacking energy: -81.246
Base-Backbone interact. energy: -1.233
local terms energy: -92.962235
where:
bonds (distance) C4'-P energy: -18.099
bonds (distance) P-C4' energy: -14.789
flat angles C4'-P-C4' energy: -19.527
flat angles P-C4'-P energy: -14.127
tors. eta vs tors. theta energy: -26.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -288.217463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.217463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.217463 (E_RNA)
where:
Base-Base interactions energy: -189.850
where: short stacking energy: -80.696
Base-Backbone interact. energy: -0.003
local terms energy: -98.364994
where:
bonds (distance) C4'-P energy: -19.691
bonds (distance) P-C4' energy: -22.459
flat angles C4'-P-C4' energy: -18.866
flat angles P-C4'-P energy: -12.709
tors. eta vs tors. theta energy: -24.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -269.013405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.013405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.013405 (E_RNA)
where:
Base-Base interactions energy: -180.477
where: short stacking energy: -68.294
Base-Backbone interact. energy: -0.843
local terms energy: -87.693015
where:
bonds (distance) C4'-P energy: -19.765
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -14.357
flat angles P-C4'-P energy: -14.603
tors. eta vs tors. theta energy: -23.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -241.085332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.085332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.085332 (E_RNA)
where:
Base-Base interactions energy: -164.179
where: short stacking energy: -65.484
Base-Backbone interact. energy: -0.298
local terms energy: -76.607703
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -20.575
flat angles P-C4'-P energy: -12.642
tors. eta vs tors. theta energy: -15.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -235.402390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.402390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.402390 (E_RNA)
where:
Base-Base interactions energy: -158.932
where: short stacking energy: -60.212
Base-Backbone interact. energy: 0.762
local terms energy: -77.232410
where:
bonds (distance) C4'-P energy: -15.533
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -12.325
flat angles P-C4'-P energy: -14.338
tors. eta vs tors. theta energy: -17.495
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: 7
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -158.097221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.097221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.097221 (E_RNA)
where:
Base-Base interactions energy: -110.437
where: short stacking energy: -52.882
Base-Backbone interact. energy: -1.001
local terms energy: -46.659521
where:
bonds (distance) C4'-P energy: -11.785
bonds (distance) P-C4' energy: -10.598
flat angles C4'-P-C4' energy: -12.802
flat angles P-C4'-P energy: -3.470
tors. eta vs tors. theta energy: -8.003
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: 10
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -97.308394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.308394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.308394 (E_RNA)
where:
Base-Base interactions energy: -40.923
where: short stacking energy: -31.539
Base-Backbone interact. energy: -0.219
local terms energy: -56.166857
where:
bonds (distance) C4'-P energy: -17.209
bonds (distance) P-C4' energy: -16.872
flat angles C4'-P-C4' energy: -11.847
flat angles P-C4'-P energy: -7.231
tors. eta vs tors. theta energy: -3.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -87.061455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.061455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.061455 (E_RNA)
where:
Base-Base interactions energy: -33.103
where: short stacking energy: -32.449
Base-Backbone interact. energy: -0.424
local terms energy: -53.535035
where:
bonds (distance) C4'-P energy: -3.903
bonds (distance) P-C4' energy: -19.599
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -9.109
tors. eta vs tors. theta energy: -6.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -290.889106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.889106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.889106 (E_RNA)
where:
Base-Base interactions energy: -197.249
where: short stacking energy: -80.200
Base-Backbone interact. energy: -0.556
local terms energy: -93.084693
where:
bonds (distance) C4'-P energy: -17.720
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -21.365
flat angles P-C4'-P energy: -11.419
tors. eta vs tors. theta energy: -26.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -290.291737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.291737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.291737 (E_RNA)
where:
Base-Base interactions energy: -190.424
where: short stacking energy: -71.690
Base-Backbone interact. energy: -1.094
local terms energy: -98.773245
where:
bonds (distance) C4'-P energy: -17.147
bonds (distance) P-C4' energy: -19.616
flat angles C4'-P-C4' energy: -22.083
flat angles P-C4'-P energy: -14.797
tors. eta vs tors. theta energy: -25.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -288.013133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.013133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.013133 (E_RNA)
where:
Base-Base interactions energy: -198.160
where: short stacking energy: -84.799
Base-Backbone interact. energy: -0.009
local terms energy: -89.843998
where:
bonds (distance) C4'-P energy: -13.620
bonds (distance) P-C4' energy: -19.079
flat angles C4'-P-C4' energy: -18.626
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: -27.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -293.803868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.803868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.803868 (E_RNA)
where:
Base-Base interactions energy: -200.648
where: short stacking energy: -81.072
Base-Backbone interact. energy: -1.148
local terms energy: -92.007755
where:
bonds (distance) C4'-P energy: -16.034
bonds (distance) P-C4' energy: -19.796
flat angles C4'-P-C4' energy: -18.874
flat angles P-C4'-P energy: -13.216
tors. eta vs tors. theta energy: -24.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -272.588162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.588162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.588162 (E_RNA)
where:
Base-Base interactions energy: -182.391
where: short stacking energy: -71.512
Base-Backbone interact. energy: -0.659
local terms energy: -89.537912
where:
bonds (distance) C4'-P energy: -17.883
bonds (distance) P-C4' energy: -18.215
flat angles C4'-P-C4' energy: -19.087
flat angles P-C4'-P energy: -12.109
tors. eta vs tors. theta energy: -22.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -272.165744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.165744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.165744 (E_RNA)
where:
Base-Base interactions energy: -186.409
where: short stacking energy: -73.164
Base-Backbone interact. energy: -0.094
local terms energy: -85.662097
where:
bonds (distance) C4'-P energy: -16.144
bonds (distance) P-C4' energy: -14.421
flat angles C4'-P-C4' energy: -17.422
flat angles P-C4'-P energy: -13.891
tors. eta vs tors. theta energy: -23.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -245.807823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.807823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.807823 (E_RNA)
where:
Base-Base interactions energy: -158.455
where: short stacking energy: -72.843
Base-Backbone interact. energy: -0.541
local terms energy: -86.812236
where:
bonds (distance) C4'-P energy: -14.440
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -21.075
flat angles P-C4'-P energy: -13.253
tors. eta vs tors. theta energy: -20.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -182.576067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.576067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.576067 (E_RNA)
where:
Base-Base interactions energy: -119.819
where: short stacking energy: -43.417
Base-Backbone interact. energy: -0.313
local terms energy: -62.443866
where:
bonds (distance) C4'-P energy: -13.541
bonds (distance) P-C4' energy: -20.559
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -6.754
tors. eta vs tors. theta energy: -7.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -91.040349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.040349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.040349 (E_RNA)
where:
Base-Base interactions energy: -35.296
where: short stacking energy: -33.691
Base-Backbone interact. energy: 0.145
local terms energy: -55.889576
where:
bonds (distance) C4'-P energy: -15.138
bonds (distance) P-C4' energy: -13.312
flat angles C4'-P-C4' energy: -11.363
flat angles P-C4'-P energy: -10.753
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: 10
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -91.389139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.389139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.389139 (E_RNA)
where:
Base-Base interactions energy: -46.027
where: short stacking energy: -28.279
Base-Backbone interact. energy: -0.743
local terms energy: -44.618589
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -10.820
flat angles C4'-P-C4' energy: -16.213
flat angles P-C4'-P energy: -4.381
tors. eta vs tors. theta energy: 1.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -289.963837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.963837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.963837 (E_RNA)
where:
Base-Base interactions energy: -191.764
where: short stacking energy: -73.782
Base-Backbone interact. energy: -1.761
local terms energy: -96.438954
where:
bonds (distance) C4'-P energy: -15.693
bonds (distance) P-C4' energy: -21.186
flat angles C4'-P-C4' energy: -20.936
flat angles P-C4'-P energy: -13.156
tors. eta vs tors. theta energy: -25.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -297.795441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.795441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.795441 (E_RNA)
where:
Base-Base interactions energy: -196.804
where: short stacking energy: -82.771
Base-Backbone interact. energy: -0.761
local terms energy: -100.229805
where:
bonds (distance) C4'-P energy: -19.875
bonds (distance) P-C4' energy: -19.341
flat angles C4'-P-C4' energy: -19.853
flat angles P-C4'-P energy: -12.950
tors. eta vs tors. theta energy: -28.211
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: 2
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -284.958966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.958966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.958966 (E_RNA)
where:
Base-Base interactions energy: -191.797
where: short stacking energy: -81.282
Base-Backbone interact. energy: -0.013
local terms energy: -93.148661
where:
bonds (distance) C4'-P energy: -17.371
bonds (distance) P-C4' energy: -20.550
flat angles C4'-P-C4' energy: -16.826
flat angles P-C4'-P energy: -12.676
tors. eta vs tors. theta energy: -25.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -270.540978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.540978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.540978 (E_RNA)
where:
Base-Base interactions energy: -184.085
where: short stacking energy: -73.324
Base-Backbone interact. energy: -0.535
local terms energy: -85.920160
where:
bonds (distance) C4'-P energy: -17.760
bonds (distance) P-C4' energy: -16.152
flat angles C4'-P-C4' energy: -19.888
flat angles P-C4'-P energy: -11.784
tors. eta vs tors. theta energy: -20.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -270.899284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.899284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.899284 (E_RNA)
where:
Base-Base interactions energy: -180.131
where: short stacking energy: -76.275
Base-Backbone interact. energy: -0.235
local terms energy: -90.533829
where:
bonds (distance) C4'-P energy: -20.063
bonds (distance) P-C4' energy: -19.339
flat angles C4'-P-C4' energy: -17.228
flat angles P-C4'-P energy: -13.751
tors. eta vs tors. theta energy: -20.154
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: 3
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -265.277201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.277201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.277201 (E_RNA)
where:
Base-Base interactions energy: -178.064
where: short stacking energy: -70.862
Base-Backbone interact. energy: -0.381
local terms energy: -86.831927
where:
bonds (distance) C4'-P energy: -13.141
bonds (distance) P-C4' energy: -21.025
flat angles C4'-P-C4' energy: -18.022
flat angles P-C4'-P energy: -10.860
tors. eta vs tors. theta energy: -23.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -265.192645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.192645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.192645 (E_RNA)
where:
Base-Base interactions energy: -182.019
where: short stacking energy: -80.000
Base-Backbone interact. energy: -0.019
local terms energy: -83.154313
where:
bonds (distance) C4'-P energy: -11.202
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -20.022
flat angles P-C4'-P energy: -10.171
tors. eta vs tors. theta energy: -25.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -228.959900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.959900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.959900 (E_RNA)
where:
Base-Base interactions energy: -147.607
where: short stacking energy: -53.744
Base-Backbone interact. energy: -0.886
local terms energy: -80.467350
where:
bonds (distance) C4'-P energy: -16.385
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -16.357
flat angles P-C4'-P energy: -10.067
tors. eta vs tors. theta energy: -20.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -96.607697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.607697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.607697 (E_RNA)
where:
Base-Base interactions energy: -35.827
where: short stacking energy: -34.830
Base-Backbone interact. energy: 0.043
local terms energy: -60.823822
where:
bonds (distance) C4'-P energy: -14.241
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -13.657
flat angles P-C4'-P energy: -8.271
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: 10, replica: 10
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -91.407218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.407218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.407218 (E_RNA)
where:
Base-Base interactions energy: -33.679
where: short stacking energy: -33.876
Base-Backbone interact. energy: -0.327
local terms energy: -57.401490
where:
bonds (distance) C4'-P energy: -18.398
bonds (distance) P-C4' energy: -14.464
flat angles C4'-P-C4' energy: -16.024
flat angles P-C4'-P energy: -5.707
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: 5
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -285.932586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.932586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.932586 (E_RNA)
where:
Base-Base interactions energy: -191.166
where: short stacking energy: -77.510
Base-Backbone interact. energy: -1.488
local terms energy: -93.279274
where:
bonds (distance) C4'-P energy: -18.109
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -21.275
flat angles P-C4'-P energy: -11.608
tors. eta vs tors. theta energy: -25.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -287.841235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.841235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.841235 (E_RNA)
where:
Base-Base interactions energy: -197.402
where: short stacking energy: -78.823
Base-Backbone interact. energy: -0.098
local terms energy: -90.340985
where:
bonds (distance) C4'-P energy: -19.479
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -16.727
flat angles P-C4'-P energy: -11.158
tors. eta vs tors. theta energy: -27.165
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: 1
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -282.745920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.745920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.745920 (E_RNA)
where:
Base-Base interactions energy: -194.303
where: short stacking energy: -83.362
Base-Backbone interact. energy: -0.386
local terms energy: -88.056370
where:
bonds (distance) C4'-P energy: -16.634
bonds (distance) P-C4' energy: -19.506
flat angles C4'-P-C4' energy: -19.454
flat angles P-C4'-P energy: -6.555
tors. eta vs tors. theta energy: -25.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -278.249652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.249652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.249652 (E_RNA)
where:
Base-Base interactions energy: -186.272
where: short stacking energy: -79.728
Base-Backbone interact. energy: -0.170
local terms energy: -91.807912
where:
bonds (distance) C4'-P energy: -15.397
bonds (distance) P-C4' energy: -20.436
flat angles C4'-P-C4' energy: -20.054
flat angles P-C4'-P energy: -10.786
tors. eta vs tors. theta energy: -25.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -274.712634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.712634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.712634 (E_RNA)
where:
Base-Base interactions energy: -194.090
where: short stacking energy: -68.783
Base-Backbone interact. energy: -0.097
local terms energy: -80.525375
where:
bonds (distance) C4'-P energy: -15.275
bonds (distance) P-C4' energy: -18.755
flat angles C4'-P-C4' energy: -12.552
flat angles P-C4'-P energy: -15.877
tors. eta vs tors. theta energy: -18.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -265.783288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.783288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.783288 (E_RNA)
where:
Base-Base interactions energy: -177.251
where: short stacking energy: -73.088
Base-Backbone interact. energy: -0.092
local terms energy: -88.439733
where:
bonds (distance) C4'-P energy: -17.610
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -14.122
tors. eta vs tors. theta energy: -25.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -265.389418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.389418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.389418 (E_RNA)
where:
Base-Base interactions energy: -172.181
where: short stacking energy: -65.479
Base-Backbone interact. energy: -0.004
local terms energy: -93.204372
where:
bonds (distance) C4'-P energy: -16.618
bonds (distance) P-C4' energy: -20.626
flat angles C4'-P-C4' energy: -21.009
flat angles P-C4'-P energy: -12.871
tors. eta vs tors. theta energy: -22.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -258.262861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.262861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.262861 (E_RNA)
where:
Base-Base interactions energy: -182.946
where: short stacking energy: -80.312
Base-Backbone interact. energy: -0.900
local terms energy: -74.416814
where:
bonds (distance) C4'-P energy: -16.393
bonds (distance) P-C4' energy: -9.840
flat angles C4'-P-C4' energy: -14.608
flat angles P-C4'-P energy: -12.524
tors. eta vs tors. theta energy: -21.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -88.269405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.269405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.269405 (E_RNA)
where:
Base-Base interactions energy: -32.914
where: short stacking energy: -20.796
Base-Backbone interact. energy: -0.556
local terms energy: -54.799978
where:
bonds (distance) C4'-P energy: -17.016
bonds (distance) P-C4' energy: -17.458
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -6.697
tors. eta vs tors. theta energy: 2.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -94.917183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.917183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.917183 (E_RNA)
where:
Base-Base interactions energy: -29.272
where: short stacking energy: -19.547
Base-Backbone interact. energy: -0.043
local terms energy: -65.601872
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -19.966
flat angles C4'-P-C4' energy: -15.338
flat angles P-C4'-P energy: -11.575
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: 1, replica: 5
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -292.819254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.819254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.819254 (E_RNA)
where:
Base-Base interactions energy: -192.469
where: short stacking energy: -79.834
Base-Backbone interact. energy: -0.254
local terms energy: -100.096105
where:
bonds (distance) C4'-P energy: -18.468
bonds (distance) P-C4' energy: -20.553
flat angles C4'-P-C4' energy: -20.756
flat angles P-C4'-P energy: -15.934
tors. eta vs tors. theta energy: -24.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -293.037620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.037620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.037620 (E_RNA)
where:
Base-Base interactions energy: -190.355
where: short stacking energy: -77.526
Base-Backbone interact. energy: -2.119
local terms energy: -100.564027
where:
bonds (distance) C4'-P energy: -19.933
bonds (distance) P-C4' energy: -18.991
flat angles C4'-P-C4' energy: -20.561
flat angles P-C4'-P energy: -15.337
tors. eta vs tors. theta energy: -25.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -290.865441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.865441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.865441 (E_RNA)
where:
Base-Base interactions energy: -193.234
where: short stacking energy: -78.827
Base-Backbone interact. energy: -0.041
local terms energy: -97.590855
where:
bonds (distance) C4'-P energy: -19.301
bonds (distance) P-C4' energy: -18.027
flat angles C4'-P-C4' energy: -20.026
flat angles P-C4'-P energy: -15.451
tors. eta vs tors. theta energy: -24.786
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: 4, replica: 9
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -283.621752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.621752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.621752 (E_RNA)
where:
Base-Base interactions energy: -194.381
where: short stacking energy: -78.817
Base-Backbone interact. energy: -0.818
local terms energy: -88.422692
where:
bonds (distance) C4'-P energy: -19.541
bonds (distance) P-C4' energy: -17.872
flat angles C4'-P-C4' energy: -14.884
flat angles P-C4'-P energy: -15.835
tors. eta vs tors. theta energy: -20.290
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: 2
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -278.301703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.301703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.301703 (E_RNA)
where:
Base-Base interactions energy: -191.225
where: short stacking energy: -75.441
Base-Backbone interact. energy: -1.608
local terms energy: -85.468687
where:
bonds (distance) C4'-P energy: -16.175
bonds (distance) P-C4' energy: -18.769
flat angles C4'-P-C4' energy: -15.976
flat angles P-C4'-P energy: -13.555
tors. eta vs tors. theta energy: -20.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -265.264618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.264618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.264618 (E_RNA)
where:
Base-Base interactions energy: -180.142
where: short stacking energy: -68.640
Base-Backbone interact. energy: -0.285
local terms energy: -84.837660
where:
bonds (distance) C4'-P energy: -20.326
bonds (distance) P-C4' energy: -16.152
flat angles C4'-P-C4' energy: -16.562
flat angles P-C4'-P energy: -13.185
tors. eta vs tors. theta energy: -18.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -258.931744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.931744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.931744 (E_RNA)
where:
Base-Base interactions energy: -172.068
where: short stacking energy: -62.820
Base-Backbone interact. energy: -0.410
local terms energy: -86.454238
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -16.444
flat angles C4'-P-C4' energy: -19.280
flat angles P-C4'-P energy: -13.347
tors. eta vs tors. theta energy: -20.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -254.016572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.016572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.016572 (E_RNA)
where:
Base-Base interactions energy: -171.375
where: short stacking energy: -69.172
Base-Backbone interact. energy: -0.490
local terms energy: -82.151014
where:
bonds (distance) C4'-P energy: -13.381
bonds (distance) P-C4' energy: -18.995
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -12.066
tors. eta vs tors. theta energy: -24.015
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: 9, replica: 10
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -88.030008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.030008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.030008 (E_RNA)
where:
Base-Base interactions energy: -29.554
where: short stacking energy: -17.501
Base-Backbone interact. energy: 0.436
local terms energy: -58.911539
where:
bonds (distance) C4'-P energy: -13.702
bonds (distance) P-C4' energy: -19.090
flat angles C4'-P-C4' energy: -13.412
flat angles P-C4'-P energy: -9.065
tors. eta vs tors. theta energy: -3.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -99.526848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.526848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.526848 (E_RNA)
where:
Base-Base interactions energy: -34.060
where: short stacking energy: -29.567
Base-Backbone interact. energy: 1.324
local terms energy: -66.791215
where:
bonds (distance) C4'-P energy: -15.859
bonds (distance) P-C4' energy: -21.392
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -8.792
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: 1, replica: 5
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -288.863701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.863701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.863701 (E_RNA)
where:
Base-Base interactions energy: -193.707
where: short stacking energy: -81.513
Base-Backbone interact. energy: -0.222
local terms energy: -94.934545
where:
bonds (distance) C4'-P energy: -16.374
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -20.718
flat angles P-C4'-P energy: -16.232
tors. eta vs tors. theta energy: -24.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -283.022812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.022812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.022812 (E_RNA)
where:
Base-Base interactions energy: -179.543
where: short stacking energy: -84.196
Base-Backbone interact. energy: 0.148
local terms energy: -103.628017
where:
bonds (distance) C4'-P energy: -19.623
bonds (distance) P-C4' energy: -21.088
flat angles C4'-P-C4' energy: -21.756
flat angles P-C4'-P energy: -13.626
tors. eta vs tors. theta energy: -27.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -285.332673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.332673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.332673 (E_RNA)
where:
Base-Base interactions energy: -187.217
where: short stacking energy: -73.503
Base-Backbone interact. energy: -0.227
local terms energy: -97.888557
where:
bonds (distance) C4'-P energy: -19.182
bonds (distance) P-C4' energy: -20.508
flat angles C4'-P-C4' energy: -18.495
flat angles P-C4'-P energy: -15.607
tors. eta vs tors. theta energy: -24.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -284.481567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.481567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.481567 (E_RNA)
where:
Base-Base interactions energy: -188.566
where: short stacking energy: -78.144
Base-Backbone interact. energy: -0.284
local terms energy: -95.631267
where:
bonds (distance) C4'-P energy: -16.525
bonds (distance) P-C4' energy: -17.268
flat angles C4'-P-C4' energy: -19.681
flat angles P-C4'-P energy: -16.353
tors. eta vs tors. theta energy: -25.804
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: 5, replica: 2
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -269.415356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.415356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.415356 (E_RNA)
where:
Base-Base interactions energy: -187.279
where: short stacking energy: -71.692
Base-Backbone interact. energy: -1.940
local terms energy: -80.196288
where:
bonds (distance) C4'-P energy: -8.748
bonds (distance) P-C4' energy: -17.061
flat angles C4'-P-C4' energy: -21.148
flat angles P-C4'-P energy: -15.250
tors. eta vs tors. theta energy: -17.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -253.490162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.490162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.490162 (E_RNA)
where:
Base-Base interactions energy: -166.007
where: short stacking energy: -72.753
Base-Backbone interact. energy: -0.099
local terms energy: -87.383956
where:
bonds (distance) C4'-P energy: -20.956
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -17.082
flat angles P-C4'-P energy: -13.615
tors. eta vs tors. theta energy: -19.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -266.435298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.435298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.435298 (E_RNA)
where:
Base-Base interactions energy: -175.890
where: short stacking energy: -69.060
Base-Backbone interact. energy: -0.701
local terms energy: -89.844621
where:
bonds (distance) C4'-P energy: -19.510
bonds (distance) P-C4' energy: -18.367
flat angles C4'-P-C4' energy: -18.134
flat angles P-C4'-P energy: -12.643
tors. eta vs tors. theta energy: -21.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -242.311569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.311569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.311569 (E_RNA)
where:
Base-Base interactions energy: -164.351
where: short stacking energy: -63.827
Base-Backbone interact. energy: -0.121
local terms energy: -77.839601
where:
bonds (distance) C4'-P energy: -13.495
bonds (distance) P-C4' energy: -15.353
flat angles C4'-P-C4' energy: -15.828
flat angles P-C4'-P energy: -10.196
tors. eta vs tors. theta energy: -22.968
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: 6
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -87.079757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.079757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.079757 (E_RNA)
where:
Base-Base interactions energy: -29.513
where: short stacking energy: -25.395
Base-Backbone interact. energy: -0.443
local terms energy: -57.123799
where:
bonds (distance) C4'-P energy: -13.555
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -17.182
flat angles P-C4'-P energy: -8.800
tors. eta vs tors. theta energy: -1.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -92.689127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.689127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.689127 (E_RNA)
where:
Base-Base interactions energy: -33.161
where: short stacking energy: -31.258
Base-Backbone interact. energy: -0.295
local terms energy: -59.232603
where:
bonds (distance) C4'-P energy: -13.348
bonds (distance) P-C4' energy: -19.224
flat angles C4'-P-C4' energy: -13.944
flat angles P-C4'-P energy: -10.110
tors. eta vs tors. theta energy: -2.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -294.126495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.126495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.126495 (E_RNA)
where:
Base-Base interactions energy: -194.964
where: short stacking energy: -76.759
Base-Backbone interact. energy: -0.920
local terms energy: -98.242577
where:
bonds (distance) C4'-P energy: -16.538
bonds (distance) P-C4' energy: -19.879
flat angles C4'-P-C4' energy: -18.897
flat angles P-C4'-P energy: -15.240
tors. eta vs tors. theta energy: -27.688
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: 253
Temperature: 0.950000
Total energy: -283.101820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.101820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.101820 (E_RNA)
where:
Base-Base interactions energy: -187.440
where: short stacking energy: -77.985
Base-Backbone interact. energy: -0.017
local terms energy: -95.645065
where:
bonds (distance) C4'-P energy: -19.308
bonds (distance) P-C4' energy: -19.532
flat angles C4'-P-C4' energy: -17.357
flat angles P-C4'-P energy: -14.443
tors. eta vs tors. theta energy: -25.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -281.110167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.110167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.110167 (E_RNA)
where:
Base-Base interactions energy: -189.503
where: short stacking energy: -80.297
Base-Backbone interact. energy: -1.349
local terms energy: -90.258968
where:
bonds (distance) C4'-P energy: -13.066
bonds (distance) P-C4' energy: -19.806
flat angles C4'-P-C4' energy: -16.828
flat angles P-C4'-P energy: -13.939
tors. eta vs tors. theta energy: -26.621
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: 9
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -284.469252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.469252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.469252 (E_RNA)
where:
Base-Base interactions energy: -189.548
where: short stacking energy: -81.442
Base-Backbone interact. energy: -0.097
local terms energy: -94.824615
where:
bonds (distance) C4'-P energy: -16.178
bonds (distance) P-C4' energy: -17.504
flat angles C4'-P-C4' energy: -19.081
flat angles P-C4'-P energy: -13.803
tors. eta vs tors. theta energy: -28.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -280.262629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.262629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.262629 (E_RNA)
where:
Base-Base interactions energy: -193.217
where: short stacking energy: -83.263
Base-Backbone interact. energy: -2.093
local terms energy: -84.952066
where:
bonds (distance) C4'-P energy: -16.067
bonds (distance) P-C4' energy: -15.737
flat angles C4'-P-C4' energy: -18.428
flat angles P-C4'-P energy: -8.804
tors. eta vs tors. theta energy: -25.916
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: 8
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -260.852835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.852835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.852835 (E_RNA)
where:
Base-Base interactions energy: -172.428
where: short stacking energy: -71.913
Base-Backbone interact. energy: -0.281
local terms energy: -88.143531
where:
bonds (distance) C4'-P energy: -16.151
bonds (distance) P-C4' energy: -18.074
flat angles C4'-P-C4' energy: -17.119
flat angles P-C4'-P energy: -11.951
tors. eta vs tors. theta energy: -24.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -202.575397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.575397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.575397 (E_RNA)
where:
Base-Base interactions energy: -128.901
where: short stacking energy: -58.107
Base-Backbone interact. energy: -0.599
local terms energy: -73.074666
where:
bonds (distance) C4'-P energy: -14.990
bonds (distance) P-C4' energy: -19.510
flat angles C4'-P-C4' energy: -14.373
flat angles P-C4'-P energy: -7.644
tors. eta vs tors. theta energy: -16.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -257.093527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.093527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.093527 (E_RNA)
where:
Base-Base interactions energy: -172.266
where: short stacking energy: -72.241
Base-Backbone interact. energy: -0.141
local terms energy: -84.687103
where:
bonds (distance) C4'-P energy: -15.454
bonds (distance) P-C4' energy: -12.755
flat angles C4'-P-C4' energy: -20.093
flat angles P-C4'-P energy: -15.168
tors. eta vs tors. theta energy: -21.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -85.280642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.280642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.280642 (E_RNA)
where:
Base-Base interactions energy: -30.907
where: short stacking energy: -30.907
Base-Backbone interact. energy: -0.096
local terms energy: -54.276833
where:
bonds (distance) C4'-P energy: -15.301
bonds (distance) P-C4' energy: -12.243
flat angles C4'-P-C4' energy: -11.525
flat angles P-C4'-P energy: -10.454
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: 10, replica: 10
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -93.518095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.518095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.518095 (E_RNA)
where:
Base-Base interactions energy: -38.355
where: short stacking energy: -29.143
Base-Backbone interact. energy: 0.085
local terms energy: -55.247957
where:
bonds (distance) C4'-P energy: -18.794
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -13.302
flat angles P-C4'-P energy: -7.825
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: 1, replica: 4
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -292.854958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.854958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.854958 (E_RNA)
where:
Base-Base interactions energy: -200.708
where: short stacking energy: -83.644
Base-Backbone interact. energy: -0.001
local terms energy: -92.145854
where:
bonds (distance) C4'-P energy: -19.068
bonds (distance) P-C4' energy: -13.199
flat angles C4'-P-C4' energy: -17.552
flat angles P-C4'-P energy: -16.240
tors. eta vs tors. theta energy: -26.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -289.052571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.052571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.052571 (E_RNA)
where:
Base-Base interactions energy: -194.893
where: short stacking energy: -79.647
Base-Backbone interact. energy: -1.590
local terms energy: -92.568708
where:
bonds (distance) C4'-P energy: -14.672
bonds (distance) P-C4' energy: -17.962
flat angles C4'-P-C4' energy: -19.953
flat angles P-C4'-P energy: -16.135
tors. eta vs tors. theta energy: -23.847
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: 3, replica: 1
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -276.056761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.056761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.056761 (E_RNA)
where:
Base-Base interactions energy: -179.866
where: short stacking energy: -86.131
Base-Backbone interact. energy: 0.144
local terms energy: -96.334720
where:
bonds (distance) C4'-P energy: -20.460
bonds (distance) P-C4' energy: -18.776
flat angles C4'-P-C4' energy: -17.331
flat angles P-C4'-P energy: -11.419
tors. eta vs tors. theta energy: -28.348
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: 9
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -275.526950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.526950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.526950 (E_RNA)
where:
Base-Base interactions energy: -180.432
where: short stacking energy: -72.575
Base-Backbone interact. energy: -1.561
local terms energy: -93.534106
where:
bonds (distance) C4'-P energy: -15.880
bonds (distance) P-C4' energy: -19.442
flat angles C4'-P-C4' energy: -21.076
flat angles P-C4'-P energy: -12.171
tors. eta vs tors. theta energy: -24.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -272.960922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.960922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.960922 (E_RNA)
where:
Base-Base interactions energy: -188.093
where: short stacking energy: -81.249
Base-Backbone interact. energy: -0.703
local terms energy: -84.165439
where:
bonds (distance) C4'-P energy: -11.794
bonds (distance) P-C4' energy: -18.539
flat angles C4'-P-C4' energy: -19.893
flat angles P-C4'-P energy: -9.977
tors. eta vs tors. theta energy: -23.963
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: 254
Temperature: 1.150000
Total energy: -257.161931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.161931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.161931 (E_RNA)
where:
Base-Base interactions energy: -165.267
where: short stacking energy: -71.190
Base-Backbone interact. energy: -0.043
local terms energy: -91.852523
where:
bonds (distance) C4'-P energy: -12.564
bonds (distance) P-C4' energy: -19.700
flat angles C4'-P-C4' energy: -18.759
flat angles P-C4'-P energy: -17.270
tors. eta vs tors. theta energy: -23.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -254.197212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.197212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.197212 (E_RNA)
where:
Base-Base interactions energy: -176.800
where: short stacking energy: -72.169
Base-Backbone interact. energy: -0.851
local terms energy: -76.546296
where:
bonds (distance) C4'-P energy: -11.167
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -14.683
flat angles P-C4'-P energy: -11.241
tors. eta vs tors. theta energy: -23.405
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: 7
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -191.397877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.397877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.397877 (E_RNA)
where:
Base-Base interactions energy: -116.338
where: short stacking energy: -56.177
Base-Backbone interact. energy: -0.132
local terms energy: -74.928550
where:
bonds (distance) C4'-P energy: -13.993
bonds (distance) P-C4' energy: -18.492
flat angles C4'-P-C4' energy: -10.248
flat angles P-C4'-P energy: -13.045
tors. eta vs tors. theta energy: -19.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -91.453236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.453236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.453236 (E_RNA)
where:
Base-Base interactions energy: -29.153
where: short stacking energy: -26.319
Base-Backbone interact. energy: -0.473
local terms energy: -61.827518
where:
bonds (distance) C4'-P energy: -19.756
bonds (distance) P-C4' energy: -16.319
flat angles C4'-P-C4' energy: -16.242
flat angles P-C4'-P energy: -8.766
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: 10, replica: 6
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -104.163503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.163503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.163503 (E_RNA)
where:
Base-Base interactions energy: -48.747
where: short stacking energy: -28.227
Base-Backbone interact. energy: 1.312
local terms energy: -56.728106
where:
bonds (distance) C4'-P energy: -19.225
bonds (distance) P-C4' energy: -14.263
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -10.411
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: 1, replica: 4
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -290.796707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.796707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.796707 (E_RNA)
where:
Base-Base interactions energy: -191.595
where: short stacking energy: -78.894
Base-Backbone interact. energy: -0.006
local terms energy: -99.195377
where:
bonds (distance) C4'-P energy: -18.974
bonds (distance) P-C4' energy: -20.820
flat angles C4'-P-C4' energy: -20.807
flat angles P-C4'-P energy: -14.301
tors. eta vs tors. theta energy: -24.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -286.192936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.192936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.192936 (E_RNA)
where:
Base-Base interactions energy: -192.274
where: short stacking energy: -84.910
Base-Backbone interact. energy: 0.546
local terms energy: -94.464663
where:
bonds (distance) C4'-P energy: -15.449
bonds (distance) P-C4' energy: -19.239
flat angles C4'-P-C4' energy: -18.910
flat angles P-C4'-P energy: -16.030
tors. eta vs tors. theta energy: -24.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -281.541039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.541039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.541039 (E_RNA)
where:
Base-Base interactions energy: -191.908
where: short stacking energy: -74.628
Base-Backbone interact. energy: -0.940
local terms energy: -88.692359
where:
bonds (distance) C4'-P energy: -16.870
bonds (distance) P-C4' energy: -19.488
flat angles C4'-P-C4' energy: -14.708
flat angles P-C4'-P energy: -14.837
tors. eta vs tors. theta energy: -22.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -277.131406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.131406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.131406 (E_RNA)
where:
Base-Base interactions energy: -185.799
where: short stacking energy: -70.510
Base-Backbone interact. energy: -0.116
local terms energy: -91.216234
where:
bonds (distance) C4'-P energy: -17.689
bonds (distance) P-C4' energy: -18.828
flat angles C4'-P-C4' energy: -18.353
flat angles P-C4'-P energy: -13.185
tors. eta vs tors. theta energy: -23.160
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: 2
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -279.201995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.201995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.201995 (E_RNA)
where:
Base-Base interactions energy: -188.606
where: short stacking energy: -76.308
Base-Backbone interact. energy: -0.054
local terms energy: -90.541419
where:
bonds (distance) C4'-P energy: -14.376
bonds (distance) P-C4' energy: -17.571
flat angles C4'-P-C4' energy: -18.238
flat angles P-C4'-P energy: -16.644
tors. eta vs tors. theta energy: -23.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -265.103925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.103925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.103925 (E_RNA)
where:
Base-Base interactions energy: -182.301
where: short stacking energy: -72.135
Base-Backbone interact. energy: -1.023
local terms energy: -81.780210
where:
bonds (distance) C4'-P energy: -12.875
bonds (distance) P-C4' energy: -17.246
flat angles C4'-P-C4' energy: -16.792
flat angles P-C4'-P energy: -14.531
tors. eta vs tors. theta energy: -20.336
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: 7, replica: 3
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -257.694530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.694530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.694530 (E_RNA)
where:
Base-Base interactions energy: -176.266
where: short stacking energy: -71.737
Base-Backbone interact. energy: -0.013
local terms energy: -81.414602
where:
bonds (distance) C4'-P energy: -11.319
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -20.734
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: -21.859
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: 255
Temperature: 1.250000
Total energy: -169.381983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.381983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.381983 (E_RNA)
where:
Base-Base interactions energy: -101.941
where: short stacking energy: -45.227
Base-Backbone interact. energy: 0.755
local terms energy: -68.195461
where:
bonds (distance) C4'-P energy: -13.862
bonds (distance) P-C4' energy: -17.321
flat angles C4'-P-C4' energy: -16.901
flat angles P-C4'-P energy: -10.948
tors. eta vs tors. theta energy: -9.164
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: 255
Temperature: 1.300000
Total energy: -98.796088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.796088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.796088 (E_RNA)
where:
Base-Base interactions energy: -32.722
where: short stacking energy: -27.604
Base-Backbone interact. energy: -0.949
local terms energy: -65.125125
where:
bonds (distance) C4'-P energy: -14.511
bonds (distance) P-C4' energy: -19.048
flat angles C4'-P-C4' energy: -16.434
flat angles P-C4'-P energy: -10.685
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: 10, replica: 6
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -88.669598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.669598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.669598 (E_RNA)
where:
Base-Base interactions energy: -25.720
where: short stacking energy: -25.720
Base-Backbone interact. energy: -0.158
local terms energy: -62.792005
where:
bonds (distance) C4'-P energy: -15.822
bonds (distance) P-C4' energy: -19.103
flat angles C4'-P-C4' energy: -16.499
flat angles P-C4'-P energy: -9.587
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: 5
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -298.488038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.488038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.488038 (E_RNA)
where:
Base-Base interactions energy: -199.928
where: short stacking energy: -84.464
Base-Backbone interact. energy: -2.292
local terms energy: -96.268581
where:
bonds (distance) C4'-P energy: -18.824
bonds (distance) P-C4' energy: -19.217
flat angles C4'-P-C4' energy: -18.550
flat angles P-C4'-P energy: -12.820
tors. eta vs tors. theta energy: -26.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -290.164664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.164664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.164664 (E_RNA)
where:
Base-Base interactions energy: -197.319
where: short stacking energy: -84.461
Base-Backbone interact. energy: -0.418
local terms energy: -92.428004
where:
bonds (distance) C4'-P energy: -17.556
bonds (distance) P-C4' energy: -18.730
flat angles C4'-P-C4' energy: -14.350
flat angles P-C4'-P energy: -16.051
tors. eta vs tors. theta energy: -25.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -279.072243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.072243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.072243 (E_RNA)
where:
Base-Base interactions energy: -183.710
where: short stacking energy: -77.639
Base-Backbone interact. energy: -0.588
local terms energy: -94.774797
where:
bonds (distance) C4'-P energy: -17.441
bonds (distance) P-C4' energy: -22.131
flat angles C4'-P-C4' energy: -20.168
flat angles P-C4'-P energy: -12.760
tors. eta vs tors. theta energy: -22.275
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: 1
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -282.267630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.267630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.267630 (E_RNA)
where:
Base-Base interactions energy: -198.766
where: short stacking energy: -79.506
Base-Backbone interact. energy: 0.156
local terms energy: -83.657542
where:
bonds (distance) C4'-P energy: -16.293
bonds (distance) P-C4' energy: -14.239
flat angles C4'-P-C4' energy: -14.815
flat angles P-C4'-P energy: -12.963
tors. eta vs tors. theta energy: -25.348
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: 8
=====================================
Write number: 256
Temperature: 1.100000
Total energy: -279.051941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.051941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.051941 (E_RNA)
where:
Base-Base interactions energy: -189.218
where: short stacking energy: -73.305
Base-Backbone interact. energy: -0.868
local terms energy: -88.966039
where:
bonds (distance) C4'-P energy: -13.694
bonds (distance) P-C4' energy: -20.495
flat angles C4'-P-C4' energy: -17.833
flat angles P-C4'-P energy: -15.296
tors. eta vs tors. theta energy: -21.647
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: 6, replica: 2
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -270.376530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.376530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.376530 (E_RNA)
where:
Base-Base interactions energy: -186.790
where: short stacking energy: -71.011
Base-Backbone interact. energy: -0.147
local terms energy: -83.439956
where:
bonds (distance) C4'-P energy: -13.388
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -15.483
flat angles P-C4'-P energy: -14.643
tors. eta vs tors. theta energy: -24.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -257.679126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.679126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.679126 (E_RNA)
where:
Base-Base interactions energy: -175.216
where: short stacking energy: -77.134
Base-Backbone interact. energy: -0.002
local terms energy: -82.460607
where:
bonds (distance) C4'-P energy: -18.335
bonds (distance) P-C4' energy: -16.279
flat angles C4'-P-C4' energy: -19.632
flat angles P-C4'-P energy: -6.030
tors. eta vs tors. theta energy: -22.186
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: 7
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -191.228798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.228798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.228798 (E_RNA)
where:
Base-Base interactions energy: -127.957
where: short stacking energy: -47.910
Base-Backbone interact. energy: -0.194
local terms energy: -63.076926
where:
bonds (distance) C4'-P energy: -11.086
bonds (distance) P-C4' energy: -20.837
flat angles C4'-P-C4' energy: -11.771
flat angles P-C4'-P energy: -8.718
tors. eta vs tors. theta energy: -10.665
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: 6
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -99.823289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.823289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.823289 (E_RNA)
where:
Base-Base interactions energy: -39.396
where: short stacking energy: -31.525
Base-Backbone interact. energy: -0.591
local terms energy: -59.836576
where:
bonds (distance) C4'-P energy: -15.059
bonds (distance) P-C4' energy: -17.534
flat angles C4'-P-C4' energy: -14.727
flat angles P-C4'-P energy: -12.081
tors. eta vs tors. theta energy: -0.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -108.805542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.805542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.805542 (E_RNA)
where:
Base-Base interactions energy: -54.294
where: short stacking energy: -26.543
Base-Backbone interact. energy: -0.233
local terms energy: -54.278975
where:
bonds (distance) C4'-P energy: -13.489
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -10.141
tors. eta vs tors. theta energy: 0.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -293.969262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.969262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.969262 (E_RNA)
where:
Base-Base interactions energy: -195.650
where: short stacking energy: -86.315
Base-Backbone interact. energy: -1.275
local terms energy: -97.043337
where:
bonds (distance) C4'-P energy: -16.745
bonds (distance) P-C4' energy: -20.603
flat angles C4'-P-C4' energy: -19.135
flat angles P-C4'-P energy: -18.591
tors. eta vs tors. theta energy: -21.970
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: 9
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -290.602437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.602437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.602437 (E_RNA)
where:
Base-Base interactions energy: -199.042
where: short stacking energy: -77.124
Base-Backbone interact. energy: -0.204
local terms energy: -91.356181
where:
bonds (distance) C4'-P energy: -17.014
bonds (distance) P-C4' energy: -18.251
flat angles C4'-P-C4' energy: -21.196
flat angles P-C4'-P energy: -12.574
tors. eta vs tors. theta energy: -22.321
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: 4
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -285.276203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.276203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.276203 (E_RNA)
where:
Base-Base interactions energy: -194.207
where: short stacking energy: -85.359
Base-Backbone interact. energy: 0.966
local terms energy: -92.035327
where:
bonds (distance) C4'-P energy: -16.382
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -19.329
flat angles P-C4'-P energy: -14.324
tors. eta vs tors. theta energy: -24.913
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: 8
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -279.604776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.604776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.604776 (E_RNA)
where:
Base-Base interactions energy: -192.287
where: short stacking energy: -77.799
Base-Backbone interact. energy: -1.044
local terms energy: -86.273617
where:
bonds (distance) C4'-P energy: -19.023
bonds (distance) P-C4' energy: -16.771
flat angles C4'-P-C4' energy: -17.166
flat angles P-C4'-P energy: -9.663
tors. eta vs tors. theta energy: -23.651
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: 1
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -274.763889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.763889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.763889 (E_RNA)
where:
Base-Base interactions energy: -188.871
where: short stacking energy: -75.211
Base-Backbone interact. energy: -0.118
local terms energy: -85.775331
where:
bonds (distance) C4'-P energy: -20.753
bonds (distance) P-C4' energy: -19.381
flat angles C4'-P-C4' energy: -16.684
flat angles P-C4'-P energy: -10.303
tors. eta vs tors. theta energy: -18.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -264.954625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.954625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.954625 (E_RNA)
where:
Base-Base interactions energy: -182.934
where: short stacking energy: -79.542
Base-Backbone interact. energy: -0.011
local terms energy: -82.008808
where:
bonds (distance) C4'-P energy: -11.530
bonds (distance) P-C4' energy: -14.462
flat angles C4'-P-C4' energy: -19.973
flat angles P-C4'-P energy: -10.701
tors. eta vs tors. theta energy: -25.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -271.109135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.109135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.109135 (E_RNA)
where:
Base-Base interactions energy: -180.756
where: short stacking energy: -76.105
Base-Backbone interact. energy: -1.567
local terms energy: -88.785504
where:
bonds (distance) C4'-P energy: -16.364
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -17.985
flat angles P-C4'-P energy: -13.777
tors. eta vs tors. theta energy: -24.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -173.033715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.033715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.033715 (E_RNA)
where:
Base-Base interactions energy: -105.987
where: short stacking energy: -46.122
Base-Backbone interact. energy: -0.225
local terms energy: -66.821243
where:
bonds (distance) C4'-P energy: -14.002
bonds (distance) P-C4' energy: -19.331
flat angles C4'-P-C4' energy: -14.549
flat angles P-C4'-P energy: -8.485
tors. eta vs tors. theta energy: -10.454
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: 257
Temperature: 1.300000
Total energy: -89.128651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.128651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.128651 (E_RNA)
where:
Base-Base interactions energy: -24.441
where: short stacking energy: -21.309
Base-Backbone interact. energy: 0.643
local terms energy: -65.331037
where:
bonds (distance) C4'-P energy: -18.638
bonds (distance) P-C4' energy: -18.886
flat angles C4'-P-C4' energy: -18.361
flat angles P-C4'-P energy: -9.026
tors. eta vs tors. theta energy: -0.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -82.933869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.933869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.933869 (E_RNA)
where:
Base-Base interactions energy: -32.677
where: short stacking energy: -31.281
Base-Backbone interact. energy: -0.308
local terms energy: -49.948204
where:
bonds (distance) C4'-P energy: -9.479
bonds (distance) P-C4' energy: -16.254
flat angles C4'-P-C4' energy: -14.117
flat angles P-C4'-P energy: -4.918
tors. eta vs tors. theta energy: -5.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -289.943851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.943851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.943851 (E_RNA)
where:
Base-Base interactions energy: -200.941
where: short stacking energy: -84.471
Base-Backbone interact. energy: -0.574
local terms energy: -88.429489
where:
bonds (distance) C4'-P energy: -14.143
bonds (distance) P-C4' energy: -15.960
flat angles C4'-P-C4' energy: -17.548
flat angles P-C4'-P energy: -14.286
tors. eta vs tors. theta energy: -26.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -282.448079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.448079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.448079 (E_RNA)
where:
Base-Base interactions energy: -188.379
where: short stacking energy: -82.406
Base-Backbone interact. energy: -1.098
local terms energy: -92.971382
where:
bonds (distance) C4'-P energy: -16.778
bonds (distance) P-C4' energy: -20.197
flat angles C4'-P-C4' energy: -15.939
flat angles P-C4'-P energy: -13.858
tors. eta vs tors. theta energy: -26.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -278.212134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.212134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.212134 (E_RNA)
where:
Base-Base interactions energy: -190.788
where: short stacking energy: -86.033
Base-Backbone interact. energy: -0.111
local terms energy: -87.313093
where:
bonds (distance) C4'-P energy: -11.096
bonds (distance) P-C4' energy: -20.634
flat angles C4'-P-C4' energy: -19.013
flat angles P-C4'-P energy: -10.492
tors. eta vs tors. theta energy: -26.079
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: 258
Temperature: 1.050000
Total energy: -279.801676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.801676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.801676 (E_RNA)
where:
Base-Base interactions energy: -194.161
where: short stacking energy: -77.421
Base-Backbone interact. energy: -0.016
local terms energy: -85.624383
where:
bonds (distance) C4'-P energy: -15.881
bonds (distance) P-C4' energy: -17.235
flat angles C4'-P-C4' energy: -15.163
flat angles P-C4'-P energy: -13.271
tors. eta vs tors. theta energy: -24.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -274.861248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.861248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.861248 (E_RNA)
where:
Base-Base interactions energy: -182.203
where: short stacking energy: -72.564
Base-Backbone interact. energy: -0.614
local terms energy: -92.044616
where:
bonds (distance) C4'-P energy: -20.576
bonds (distance) P-C4' energy: -18.942
flat angles C4'-P-C4' energy: -18.924
flat angles P-C4'-P energy: -11.695
tors. eta vs tors. theta energy: -21.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -273.181032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.181032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.181032 (E_RNA)
where:
Base-Base interactions energy: -187.454
where: short stacking energy: -76.361
Base-Backbone interact. energy: -0.501
local terms energy: -85.225588
where:
bonds (distance) C4'-P energy: -12.134
bonds (distance) P-C4' energy: -17.565
flat angles C4'-P-C4' energy: -18.639
flat angles P-C4'-P energy: -14.664
tors. eta vs tors. theta energy: -22.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -259.300320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.300320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.300320 (E_RNA)
where:
Base-Base interactions energy: -175.384
where: short stacking energy: -65.552
Base-Backbone interact. energy: -1.182
local terms energy: -82.733941
where:
bonds (distance) C4'-P energy: -14.643
bonds (distance) P-C4' energy: -17.984
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -15.210
tors. eta vs tors. theta energy: -20.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -180.038257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.038257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.038257 (E_RNA)
where:
Base-Base interactions energy: -103.000
where: short stacking energy: -40.191
Base-Backbone interact. energy: 0.105
local terms energy: -77.143289
where:
bonds (distance) C4'-P energy: -15.574
bonds (distance) P-C4' energy: -17.806
flat angles C4'-P-C4' energy: -21.111
flat angles P-C4'-P energy: -13.973
tors. eta vs tors. theta energy: -8.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -92.929074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.929074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.929074 (E_RNA)
where:
Base-Base interactions energy: -43.327
where: short stacking energy: -32.891
Base-Backbone interact. energy: -0.179
local terms energy: -49.423407
where:
bonds (distance) C4'-P energy: -11.211
bonds (distance) P-C4' energy: -13.439
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -7.644
tors. eta vs tors. theta energy: -1.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -90.189146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.189146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.189146 (E_RNA)
where:
Base-Base interactions energy: -37.110
where: short stacking energy: -24.718
Base-Backbone interact. energy: -0.651
local terms energy: -52.427377
where:
bonds (distance) C4'-P energy: -16.447
bonds (distance) P-C4' energy: -17.057
flat angles C4'-P-C4' energy: -7.881
flat angles P-C4'-P energy: -7.491
tors. eta vs tors. theta energy: -3.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -298.794518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.794518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.794518 (E_RNA)
where:
Base-Base interactions energy: -199.144
where: short stacking energy: -87.298
Base-Backbone interact. energy: -0.015
local terms energy: -99.635240
where:
bonds (distance) C4'-P energy: -18.140
bonds (distance) P-C4' energy: -19.620
flat angles C4'-P-C4' energy: -20.959
flat angles P-C4'-P energy: -14.274
tors. eta vs tors. theta energy: -26.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -288.732712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.732712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.732712 (E_RNA)
where:
Base-Base interactions energy: -192.605
where: short stacking energy: -77.442
Base-Backbone interact. energy: -1.689
local terms energy: -94.439302
where:
bonds (distance) C4'-P energy: -18.373
bonds (distance) P-C4' energy: -20.150
flat angles C4'-P-C4' energy: -17.472
flat angles P-C4'-P energy: -14.249
tors. eta vs tors. theta energy: -24.196
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: 3, replica: 9
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -281.832905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.832905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.832905 (E_RNA)
where:
Base-Base interactions energy: -193.788
where: short stacking energy: -80.050
Base-Backbone interact. energy: -0.701
local terms energy: -87.343365
where:
bonds (distance) C4'-P energy: -13.041
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -22.339
flat angles P-C4'-P energy: -9.730
tors. eta vs tors. theta energy: -24.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -280.848317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.848317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.848317 (E_RNA)
where:
Base-Base interactions energy: -192.456
where: short stacking energy: -74.986
Base-Backbone interact. energy: -0.073
local terms energy: -88.320075
where:
bonds (distance) C4'-P energy: -17.486
bonds (distance) P-C4' energy: -21.331
flat angles C4'-P-C4' energy: -16.992
flat angles P-C4'-P energy: -11.645
tors. eta vs tors. theta energy: -20.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -272.746763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.746763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.746763 (E_RNA)
where:
Base-Base interactions energy: -185.691
where: short stacking energy: -85.919
Base-Backbone interact. energy: -0.258
local terms energy: -86.797239
where:
bonds (distance) C4'-P energy: -14.332
bonds (distance) P-C4' energy: -18.281
flat angles C4'-P-C4' energy: -17.571
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -25.037
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: 3
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -275.387105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.387105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.387105 (E_RNA)
where:
Base-Base interactions energy: -181.858
where: short stacking energy: -79.073
Base-Backbone interact. energy: -0.211
local terms energy: -93.318644
where:
bonds (distance) C4'-P energy: -18.717
bonds (distance) P-C4' energy: -18.241
flat angles C4'-P-C4' energy: -15.860
flat angles P-C4'-P energy: -12.978
tors. eta vs tors. theta energy: -27.522
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: 2
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -265.485209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.485209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.485209 (E_RNA)
where:
Base-Base interactions energy: -175.291
where: short stacking energy: -68.414
Base-Backbone interact. energy: -0.100
local terms energy: -90.094044
where:
bonds (distance) C4'-P energy: -12.785
bonds (distance) P-C4' energy: -20.656
flat angles C4'-P-C4' energy: -19.002
flat angles P-C4'-P energy: -13.266
tors. eta vs tors. theta energy: -24.385
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: 259
Temperature: 1.250000
Total energy: -165.752576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.752576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.752576 (E_RNA)
where:
Base-Base interactions energy: -101.093
where: short stacking energy: -44.788
Base-Backbone interact. energy: -0.265
local terms energy: -64.395159
where:
bonds (distance) C4'-P energy: -20.646
bonds (distance) P-C4' energy: -12.657
flat angles C4'-P-C4' energy: -19.006
flat angles P-C4'-P energy: -7.714
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: 9, replica: 10
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -86.056596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.056596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.056596 (E_RNA)
where:
Base-Base interactions energy: -37.984
where: short stacking energy: -29.514
Base-Backbone interact. energy: -0.062
local terms energy: -48.010714
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -18.893
flat angles C4'-P-C4' energy: -14.762
flat angles P-C4'-P energy: 0.226
tors. eta vs tors. theta energy: -1.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -88.731314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.731314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.731314 (E_RNA)
where:
Base-Base interactions energy: -35.486
where: short stacking energy: -31.963
Base-Backbone interact. energy: -0.166
local terms energy: -53.080005
where:
bonds (distance) C4'-P energy: -18.041
bonds (distance) P-C4' energy: -12.734
flat angles C4'-P-C4' energy: -16.227
flat angles P-C4'-P energy: -4.873
tors. eta vs tors. theta energy: -1.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -282.428534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.428534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.428534 (E_RNA)
where:
Base-Base interactions energy: -193.861
where: short stacking energy: -78.934
Base-Backbone interact. energy: -0.048
local terms energy: -88.519310
where:
bonds (distance) C4'-P energy: -20.928
bonds (distance) P-C4' energy: -17.601
flat angles C4'-P-C4' energy: -18.943
flat angles P-C4'-P energy: -10.086
tors. eta vs tors. theta energy: -20.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -295.884867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.884867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.884867 (E_RNA)
where:
Base-Base interactions energy: -195.275
where: short stacking energy: -86.712
Base-Backbone interact. energy: -0.811
local terms energy: -99.799323
where:
bonds (distance) C4'-P energy: -17.317
bonds (distance) P-C4' energy: -19.189
flat angles C4'-P-C4' energy: -20.474
flat angles P-C4'-P energy: -17.391
tors. eta vs tors. theta energy: -25.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -284.154073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.154073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.154073 (E_RNA)
where:
Base-Base interactions energy: -188.399
where: short stacking energy: -74.677
Base-Backbone interact. energy: -0.183
local terms energy: -95.571769
where:
bonds (distance) C4'-P energy: -20.327
bonds (distance) P-C4' energy: -16.077
flat angles C4'-P-C4' energy: -22.143
flat angles P-C4'-P energy: -15.455
tors. eta vs tors. theta energy: -21.570
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: 9
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -274.426624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.426624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.426624 (E_RNA)
where:
Base-Base interactions energy: -181.964
where: short stacking energy: -73.900
Base-Backbone interact. energy: -0.064
local terms energy: -92.397936
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -20.375
flat angles C4'-P-C4' energy: -19.439
flat angles P-C4'-P energy: -14.640
tors. eta vs tors. theta energy: -23.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -270.480178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.480178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.480178 (E_RNA)
where:
Base-Base interactions energy: -182.752
where: short stacking energy: -77.823
Base-Backbone interact. energy: -0.267
local terms energy: -87.461099
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -19.498
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -14.356
tors. eta vs tors. theta energy: -23.148
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: 3
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -272.215087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.215087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.215087 (E_RNA)
where:
Base-Base interactions energy: -185.388
where: short stacking energy: -71.335
Base-Backbone interact. energy: -0.004
local terms energy: -86.823098
where:
bonds (distance) C4'-P energy: -16.766
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -16.695
flat angles P-C4'-P energy: -13.739
tors. eta vs tors. theta energy: -24.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -262.395105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.395105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.395105 (E_RNA)
where:
Base-Base interactions energy: -172.989
where: short stacking energy: -74.138
Base-Backbone interact. energy: -0.835
local terms energy: -88.571475
where:
bonds (distance) C4'-P energy: -14.980
bonds (distance) P-C4' energy: -21.324
flat angles C4'-P-C4' energy: -16.746
flat angles P-C4'-P energy: -14.260
tors. eta vs tors. theta energy: -21.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -162.732122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.732122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.732122 (E_RNA)
where:
Base-Base interactions energy: -97.266
where: short stacking energy: -39.539
Base-Backbone interact. energy: -0.411
local terms energy: -65.055055
where:
bonds (distance) C4'-P energy: -13.206
bonds (distance) P-C4' energy: -18.336
flat angles C4'-P-C4' energy: -19.900
flat angles P-C4'-P energy: -5.942
tors. eta vs tors. theta energy: -7.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -83.033667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.033667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.033667 (E_RNA)
where:
Base-Base interactions energy: -31.351
where: short stacking energy: -31.351
Base-Backbone interact. energy: -0.150
local terms energy: -51.532747
where:
bonds (distance) C4'-P energy: -9.240
bonds (distance) P-C4' energy: -18.135
flat angles C4'-P-C4' energy: -12.952
flat angles P-C4'-P energy: -5.706
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: 10, replica: 6
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -85.670660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.670660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.670660 (E_RNA)
where:
Base-Base interactions energy: -25.780
where: short stacking energy: -20.817
Base-Backbone interact. energy: -0.250
local terms energy: -59.640046
where:
bonds (distance) C4'-P energy: -20.372
bonds (distance) P-C4' energy: -19.059
flat angles C4'-P-C4' energy: -11.986
flat angles P-C4'-P energy: -7.555
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: 8
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -287.546031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.546031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.546031 (E_RNA)
where:
Base-Base interactions energy: -198.891
where: short stacking energy: -78.005
Base-Backbone interact. energy: -0.416
local terms energy: -88.238270
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -17.889
flat angles C4'-P-C4' energy: -19.218
flat angles P-C4'-P energy: -11.868
tors. eta vs tors. theta energy: -23.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -293.308837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.308837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.308837 (E_RNA)
where:
Base-Base interactions energy: -205.982
where: short stacking energy: -73.215
Base-Backbone interact. energy: -0.311
local terms energy: -87.016147
where:
bonds (distance) C4'-P energy: -14.208
bonds (distance) P-C4' energy: -20.210
flat angles C4'-P-C4' energy: -19.279
flat angles P-C4'-P energy: -10.466
tors. eta vs tors. theta energy: -22.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -290.933625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.933625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.933625 (E_RNA)
where:
Base-Base interactions energy: -193.198
where: short stacking energy: -74.766
Base-Backbone interact. energy: -0.658
local terms energy: -97.078055
where:
bonds (distance) C4'-P energy: -12.920
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -21.509
flat angles P-C4'-P energy: -15.848
tors. eta vs tors. theta energy: -29.615
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: 4, replica: 4
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -279.108679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.108679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.108679 (E_RNA)
where:
Base-Base interactions energy: -189.072
where: short stacking energy: -76.137
Base-Backbone interact. energy: -0.338
local terms energy: -89.699042
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -20.442
flat angles C4'-P-C4' energy: -16.857
flat angles P-C4'-P energy: -12.938
tors. eta vs tors. theta energy: -24.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -280.864277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.864277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.864277 (E_RNA)
where:
Base-Base interactions energy: -190.849
where: short stacking energy: -73.817
Base-Backbone interact. energy: -1.926
local terms energy: -88.089110
where:
bonds (distance) C4'-P energy: -16.977
bonds (distance) P-C4' energy: -18.725
flat angles C4'-P-C4' energy: -19.852
flat angles P-C4'-P energy: -10.968
tors. eta vs tors. theta energy: -21.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -270.991209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.991209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.991209 (E_RNA)
where:
Base-Base interactions energy: -174.095
where: short stacking energy: -63.658
Base-Backbone interact. energy: -0.002
local terms energy: -96.893493
where:
bonds (distance) C4'-P energy: -19.473
bonds (distance) P-C4' energy: -21.166
flat angles C4'-P-C4' energy: -18.552
flat angles P-C4'-P energy: -15.290
tors. eta vs tors. theta energy: -22.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -248.435802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.435802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.435802 (E_RNA)
where:
Base-Base interactions energy: -171.064
where: short stacking energy: -62.885
Base-Backbone interact. energy: 0.028
local terms energy: -77.399120
where:
bonds (distance) C4'-P energy: -17.540
bonds (distance) P-C4' energy: -13.334
flat angles C4'-P-C4' energy: -12.414
flat angles P-C4'-P energy: -12.935
tors. eta vs tors. theta energy: -21.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -164.816379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.816379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.816379 (E_RNA)
where:
Base-Base interactions energy: -117.055
where: short stacking energy: -45.096
Base-Backbone interact. energy: -0.024
local terms energy: -47.737546
where:
bonds (distance) C4'-P energy: -5.957
bonds (distance) P-C4' energy: -14.495
flat angles C4'-P-C4' energy: -9.513
flat angles P-C4'-P energy: -10.787
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: 9, replica: 10
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -89.555096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.555096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.555096 (E_RNA)
where:
Base-Base interactions energy: -33.667
where: short stacking energy: -35.330
Base-Backbone interact. energy: -0.172
local terms energy: -55.716120
where:
bonds (distance) C4'-P energy: -13.782
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -10.646
flat angles P-C4'-P energy: -8.427
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: 10, replica: 6
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -89.593805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.593805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.593805 (E_RNA)
where:
Base-Base interactions energy: -34.602
where: short stacking energy: -21.912
Base-Backbone interact. energy: 0.542
local terms energy: -55.533713
where:
bonds (distance) C4'-P energy: -15.628
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -14.807
flat angles P-C4'-P energy: -9.167
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: 1, replica: 8
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -294.147622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.147622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.147622 (E_RNA)
where:
Base-Base interactions energy: -198.510
where: short stacking energy: -84.624
Base-Backbone interact. energy: -0.005
local terms energy: -95.631941
where:
bonds (distance) C4'-P energy: -18.419
bonds (distance) P-C4' energy: -23.396
flat angles C4'-P-C4' energy: -17.972
flat angles P-C4'-P energy: -10.996
tors. eta vs tors. theta energy: -24.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -294.776962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.776962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.776962 (E_RNA)
where:
Base-Base interactions energy: -200.370
where: short stacking energy: -82.315
Base-Backbone interact. energy: -0.377
local terms energy: -94.030016
where:
bonds (distance) C4'-P energy: -21.010
bonds (distance) P-C4' energy: -16.648
flat angles C4'-P-C4' energy: -19.155
flat angles P-C4'-P energy: -16.965
tors. eta vs tors. theta energy: -20.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -285.858480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.858480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.858480 (E_RNA)
where:
Base-Base interactions energy: -194.612
where: short stacking energy: -79.397
Base-Backbone interact. energy: -0.040
local terms energy: -91.206583
where:
bonds (distance) C4'-P energy: -17.449
bonds (distance) P-C4' energy: -19.434
flat angles C4'-P-C4' energy: -15.522
flat angles P-C4'-P energy: -12.940
tors. eta vs tors. theta energy: -25.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -283.667346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.667346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.667346 (E_RNA)
where:
Base-Base interactions energy: -190.552
where: short stacking energy: -77.480
Base-Backbone interact. energy: -0.050
local terms energy: -93.064384
where:
bonds (distance) C4'-P energy: -15.010
bonds (distance) P-C4' energy: -20.020
flat angles C4'-P-C4' energy: -19.276
flat angles P-C4'-P energy: -14.992
tors. eta vs tors. theta energy: -23.766
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: 5, replica: 9
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -277.615636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.615636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.615636 (E_RNA)
where:
Base-Base interactions energy: -191.332
where: short stacking energy: -77.378
Base-Backbone interact. energy: -0.563
local terms energy: -85.720413
where:
bonds (distance) C4'-P energy: -18.546
bonds (distance) P-C4' energy: -18.957
flat angles C4'-P-C4' energy: -12.987
flat angles P-C4'-P energy: -11.122
tors. eta vs tors. theta energy: -24.108
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: 3
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -261.474838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.474838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.474838 (E_RNA)
where:
Base-Base interactions energy: -192.768
where: short stacking energy: -77.054
Base-Backbone interact. energy: -0.085
local terms energy: -68.621732
where:
bonds (distance) C4'-P energy: -5.957
bonds (distance) P-C4' energy: -11.354
flat angles C4'-P-C4' energy: -15.023
flat angles P-C4'-P energy: -15.556
tors. eta vs tors. theta energy: -20.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -259.700160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.700160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.700160 (E_RNA)
where:
Base-Base interactions energy: -176.903
where: short stacking energy: -74.382
Base-Backbone interact. energy: -0.454
local terms energy: -82.343917
where:
bonds (distance) C4'-P energy: -16.863
bonds (distance) P-C4' energy: -16.043
flat angles C4'-P-C4' energy: -17.206
flat angles P-C4'-P energy: -8.881
tors. eta vs tors. theta energy: -23.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -178.973334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.973334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.973334 (E_RNA)
where:
Base-Base interactions energy: -108.372
where: short stacking energy: -56.714
Base-Backbone interact. energy: -0.626
local terms energy: -69.975070
where:
bonds (distance) C4'-P energy: -16.152
bonds (distance) P-C4' energy: -19.526
flat angles C4'-P-C4' energy: -10.539
flat angles P-C4'-P energy: -10.768
tors. eta vs tors. theta energy: -12.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -91.850630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.850630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.850630 (E_RNA)
where:
Base-Base interactions energy: -31.323
where: short stacking energy: -20.499
Base-Backbone interact. energy: -0.746
local terms energy: -59.782011
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -15.433
flat angles P-C4'-P energy: -14.068
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: 10, replica: 10
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -107.474882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.474882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.474882 (E_RNA)
where:
Base-Base interactions energy: -45.796
where: short stacking energy: -26.591
Base-Backbone interact. energy: -0.206
local terms energy: -61.472082
where:
bonds (distance) C4'-P energy: -18.558
bonds (distance) P-C4' energy: -18.457
flat angles C4'-P-C4' energy: -17.475
flat angles P-C4'-P energy: -8.737
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: 8
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -291.317785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.317785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.317785 (E_RNA)
where:
Base-Base interactions energy: -196.061
where: short stacking energy: -80.109
Base-Backbone interact. energy: -1.024
local terms energy: -94.232063
where:
bonds (distance) C4'-P energy: -19.992
bonds (distance) P-C4' energy: -17.233
flat angles C4'-P-C4' energy: -18.496
flat angles P-C4'-P energy: -13.893
tors. eta vs tors. theta energy: -24.618
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: 5
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -281.328338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.328338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.328338 (E_RNA)
where:
Base-Base interactions energy: -191.185
where: short stacking energy: -78.649
Base-Backbone interact. energy: -0.157
local terms energy: -89.986548
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -21.682
flat angles C4'-P-C4' energy: -16.883
flat angles P-C4'-P energy: -15.408
tors. eta vs tors. theta energy: -21.290
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: 1
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -283.550277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.550277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.550277 (E_RNA)
where:
Base-Base interactions energy: -193.139
where: short stacking energy: -67.336
Base-Backbone interact. energy: -0.089
local terms energy: -90.322220
where:
bonds (distance) C4'-P energy: -20.033
bonds (distance) P-C4' energy: -19.601
flat angles C4'-P-C4' energy: -16.835
flat angles P-C4'-P energy: -15.546
tors. eta vs tors. theta energy: -18.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -278.396020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.396020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.396020 (E_RNA)
where:
Base-Base interactions energy: -186.287
where: short stacking energy: -75.658
Base-Backbone interact. energy: -0.004
local terms energy: -92.104229
where:
bonds (distance) C4'-P energy: -16.061
bonds (distance) P-C4' energy: -15.893
flat angles C4'-P-C4' energy: -18.020
flat angles P-C4'-P energy: -14.973
tors. eta vs tors. theta energy: -27.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -269.815779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.815779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.815779 (E_RNA)
where:
Base-Base interactions energy: -181.962
where: short stacking energy: -77.204
Base-Backbone interact. energy: -0.015
local terms energy: -87.838777
where:
bonds (distance) C4'-P energy: -17.441
bonds (distance) P-C4' energy: -15.185
flat angles C4'-P-C4' energy: -16.724
flat angles P-C4'-P energy: -13.414
tors. eta vs tors. theta energy: -25.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -274.425423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.425423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.425423 (E_RNA)
where:
Base-Base interactions energy: -182.501
where: short stacking energy: -72.122
Base-Backbone interact. energy: -0.138
local terms energy: -91.786134
where:
bonds (distance) C4'-P energy: -17.786
bonds (distance) P-C4' energy: -19.234
flat angles C4'-P-C4' energy: -21.048
flat angles P-C4'-P energy: -13.856
tors. eta vs tors. theta energy: -19.863
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: 3
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -254.617168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.617168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.617168 (E_RNA)
where:
Base-Base interactions energy: -170.712
where: short stacking energy: -66.394
Base-Backbone interact. energy: -0.112
local terms energy: -83.793541
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -17.219
flat angles C4'-P-C4' energy: -18.069
flat angles P-C4'-P energy: -12.229
tors. eta vs tors. theta energy: -20.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -175.703138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.703138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.703138 (E_RNA)
where:
Base-Base interactions energy: -102.430
where: short stacking energy: -38.649
Base-Backbone interact. energy: -1.408
local terms energy: -71.864353
where:
bonds (distance) C4'-P energy: -16.461
bonds (distance) P-C4' energy: -19.151
flat angles C4'-P-C4' energy: -16.779
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: -9.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -92.249011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.249011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.249011 (E_RNA)
where:
Base-Base interactions energy: -34.508
where: short stacking energy: -29.475
Base-Backbone interact. energy: 0.994
local terms energy: -58.734309
where:
bonds (distance) C4'-P energy: -13.603
bonds (distance) P-C4' energy: -11.157
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -12.860
tors. eta vs tors. theta energy: -5.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -116.027676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.027676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.027676 (E_RNA)
where:
Base-Base interactions energy: -62.886
where: short stacking energy: -26.154
Base-Backbone interact. energy: -0.398
local terms energy: -52.742953
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -17.508
flat angles P-C4'-P energy: -3.595
tors. eta vs tors. theta energy: 0.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -287.531047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.531047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.531047 (E_RNA)
where:
Base-Base interactions energy: -208.852
where: short stacking energy: -83.015
Base-Backbone interact. energy: -0.079
local terms energy: -78.599664
where:
bonds (distance) C4'-P energy: -18.266
bonds (distance) P-C4' energy: -11.264
flat angles C4'-P-C4' energy: -15.940
flat angles P-C4'-P energy: -9.907
tors. eta vs tors. theta energy: -23.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -285.407043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.407043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.407043 (E_RNA)
where:
Base-Base interactions energy: -196.258
where: short stacking energy: -79.189
Base-Backbone interact. energy: -0.365
local terms energy: -88.784122
where:
bonds (distance) C4'-P energy: -12.920
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -19.922
flat angles P-C4'-P energy: -14.477
tors. eta vs tors. theta energy: -24.352
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: 9
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -291.101962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.101962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.101962 (E_RNA)
where:
Base-Base interactions energy: -192.800
where: short stacking energy: -68.685
Base-Backbone interact. energy: -0.120
local terms energy: -98.182083
where:
bonds (distance) C4'-P energy: -19.449
bonds (distance) P-C4' energy: -19.739
flat angles C4'-P-C4' energy: -19.740
flat angles P-C4'-P energy: -14.960
tors. eta vs tors. theta energy: -24.295
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: 1
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -277.458852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.458852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.458852 (E_RNA)
where:
Base-Base interactions energy: -193.970
where: short stacking energy: -74.522
Base-Backbone interact. energy: -0.102
local terms energy: -83.386267
where:
bonds (distance) C4'-P energy: -19.669
bonds (distance) P-C4' energy: -16.613
flat angles C4'-P-C4' energy: -14.859
flat angles P-C4'-P energy: -10.471
tors. eta vs tors. theta energy: -21.775
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: 264
Temperature: 1.100000
Total energy: -268.797892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.797892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.797892 (E_RNA)
where:
Base-Base interactions energy: -190.723
where: short stacking energy: -77.572
Base-Backbone interact. energy: -0.081
local terms energy: -77.993700
where:
bonds (distance) C4'-P energy: -13.783
bonds (distance) P-C4' energy: -17.389
flat angles C4'-P-C4' energy: -17.852
flat angles P-C4'-P energy: -4.148
tors. eta vs tors. theta energy: -24.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -267.313476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.313476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.313476 (E_RNA)
where:
Base-Base interactions energy: -183.473
where: short stacking energy: -79.640
Base-Backbone interact. energy: -0.002
local terms energy: -83.838433
where:
bonds (distance) C4'-P energy: -16.745
bonds (distance) P-C4' energy: -13.841
flat angles C4'-P-C4' energy: -17.214
flat angles P-C4'-P energy: -11.164
tors. eta vs tors. theta energy: -24.873
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: 264
Temperature: 1.200000
Total energy: -227.042241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.042241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.042241 (E_RNA)
where:
Base-Base interactions energy: -157.929
where: short stacking energy: -54.125
Base-Backbone interact. energy: -0.137
local terms energy: -68.975950
where:
bonds (distance) C4'-P energy: -15.992
bonds (distance) P-C4' energy: -16.531
flat angles C4'-P-C4' energy: -16.187
flat angles P-C4'-P energy: -6.877
tors. eta vs tors. theta energy: -13.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -172.953919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.953919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.953919 (E_RNA)
where:
Base-Base interactions energy: -100.797
where: short stacking energy: -43.884
Base-Backbone interact. energy: -0.207
local terms energy: -71.949769
where:
bonds (distance) C4'-P energy: -18.347
bonds (distance) P-C4' energy: -13.379
flat angles C4'-P-C4' energy: -19.233
flat angles P-C4'-P energy: -13.374
tors. eta vs tors. theta energy: -7.616
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: 10
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -90.627706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.627706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.627706 (E_RNA)
where:
Base-Base interactions energy: -26.138
where: short stacking energy: -26.138
Base-Backbone interact. energy: -0.238
local terms energy: -64.251725
where:
bonds (distance) C4'-P energy: -19.136
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -10.509
tors. eta vs tors. theta energy: -3.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -95.197252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.197252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.197252 (E_RNA)
where:
Base-Base interactions energy: -35.161
where: short stacking energy: -35.025
Base-Backbone interact. energy: 0.409
local terms energy: -60.445612
where:
bonds (distance) C4'-P energy: -10.661
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -11.984
flat angles P-C4'-P energy: -12.054
tors. eta vs tors. theta energy: -10.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -288.185492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.185492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.185492 (E_RNA)
where:
Base-Base interactions energy: -187.140
where: short stacking energy: -87.312
Base-Backbone interact. energy: -0.175
local terms energy: -100.870536
where:
bonds (distance) C4'-P energy: -18.231
bonds (distance) P-C4' energy: -20.598
flat angles C4'-P-C4' energy: -21.312
flat angles P-C4'-P energy: -13.482
tors. eta vs tors. theta energy: -27.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -286.329860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.329860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.329860 (E_RNA)
where:
Base-Base interactions energy: -200.233
where: short stacking energy: -81.010
Base-Backbone interact. energy: -1.083
local terms energy: -85.013940
where:
bonds (distance) C4'-P energy: -17.466
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -19.283
flat angles P-C4'-P energy: -11.370
tors. eta vs tors. theta energy: -23.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -287.786878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.786878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.786878 (E_RNA)
where:
Base-Base interactions energy: -197.004
where: short stacking energy: -75.293
Base-Backbone interact. energy: -1.990
local terms energy: -88.792274
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -18.499
flat angles P-C4'-P energy: -11.495
tors. eta vs tors. theta energy: -24.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -277.642507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.642507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.642507 (E_RNA)
where:
Base-Base interactions energy: -192.501
where: short stacking energy: -82.673
Base-Backbone interact. energy: -0.102
local terms energy: -85.040381
where:
bonds (distance) C4'-P energy: -10.246
bonds (distance) P-C4' energy: -17.189
flat angles C4'-P-C4' energy: -18.627
flat angles P-C4'-P energy: -10.900
tors. eta vs tors. theta energy: -28.079
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: 1
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -273.910021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.910021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.910021 (E_RNA)
where:
Base-Base interactions energy: -193.031
where: short stacking energy: -75.340
Base-Backbone interact. energy: -0.166
local terms energy: -80.713562
where:
bonds (distance) C4'-P energy: -10.445
bonds (distance) P-C4' energy: -18.993
flat angles C4'-P-C4' energy: -20.308
flat angles P-C4'-P energy: -9.658
tors. eta vs tors. theta energy: -21.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -266.384801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.384801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.384801 (E_RNA)
where:
Base-Base interactions energy: -173.330
where: short stacking energy: -72.698
Base-Backbone interact. energy: -0.961
local terms energy: -92.093234
where:
bonds (distance) C4'-P energy: -17.775
bonds (distance) P-C4' energy: -15.410
flat angles C4'-P-C4' energy: -21.400
flat angles P-C4'-P energy: -13.731
tors. eta vs tors. theta energy: -23.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -262.046603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.046603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.046603 (E_RNA)
where:
Base-Base interactions energy: -182.211
where: short stacking energy: -72.582
Base-Backbone interact. energy: -0.716
local terms energy: -79.119635
where:
bonds (distance) C4'-P energy: -14.456
bonds (distance) P-C4' energy: -15.164
flat angles C4'-P-C4' energy: -16.058
flat angles P-C4'-P energy: -9.482
tors. eta vs tors. theta energy: -23.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -154.861351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.861351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.861351 (E_RNA)
where:
Base-Base interactions energy: -87.180
where: short stacking energy: -41.860
Base-Backbone interact. energy: -0.563
local terms energy: -67.118096
where:
bonds (distance) C4'-P energy: -15.139
bonds (distance) P-C4' energy: -17.131
flat angles C4'-P-C4' energy: -17.961
flat angles P-C4'-P energy: -6.503
tors. eta vs tors. theta energy: -10.385
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: 10
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -92.721630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.721630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.721630 (E_RNA)
where:
Base-Base interactions energy: -32.501
where: short stacking energy: -31.584
Base-Backbone interact. energy: -0.224
local terms energy: -59.996572
where:
bonds (distance) C4'-P energy: -15.180
bonds (distance) P-C4' energy: -15.419
flat angles C4'-P-C4' energy: -14.641
flat angles P-C4'-P energy: -8.628
tors. eta vs tors. theta energy: -6.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -97.724508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.724508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.724508 (E_RNA)
where:
Base-Base interactions energy: -40.576
where: short stacking energy: -33.514
Base-Backbone interact. energy: -0.429
local terms energy: -56.719545
where:
bonds (distance) C4'-P energy: -11.828
bonds (distance) P-C4' energy: -17.418
flat angles C4'-P-C4' energy: -19.991
flat angles P-C4'-P energy: -9.397
tors. eta vs tors. theta energy: 1.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -291.086739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.086739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.086739 (E_RNA)
where:
Base-Base interactions energy: -194.490
where: short stacking energy: -80.308
Base-Backbone interact. energy: -0.537
local terms energy: -96.059466
where:
bonds (distance) C4'-P energy: -17.011
bonds (distance) P-C4' energy: -18.983
flat angles C4'-P-C4' energy: -20.949
flat angles P-C4'-P energy: -15.035
tors. eta vs tors. theta energy: -24.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -288.840850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.840850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.840850 (E_RNA)
where:
Base-Base interactions energy: -184.475
where: short stacking energy: -79.680
Base-Backbone interact. energy: -0.052
local terms energy: -104.314491
where:
bonds (distance) C4'-P energy: -19.553
bonds (distance) P-C4' energy: -19.301
flat angles C4'-P-C4' energy: -20.725
flat angles P-C4'-P energy: -16.643
tors. eta vs tors. theta energy: -28.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -287.387727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.387727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.387727 (E_RNA)
where:
Base-Base interactions energy: -190.267
where: short stacking energy: -82.767
Base-Backbone interact. energy: -1.008
local terms energy: -96.112338
where:
bonds (distance) C4'-P energy: -14.630
bonds (distance) P-C4' energy: -20.911
flat angles C4'-P-C4' energy: -21.007
flat angles P-C4'-P energy: -14.593
tors. eta vs tors. theta energy: -24.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -281.496811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.496811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.496811 (E_RNA)
where:
Base-Base interactions energy: -190.230
where: short stacking energy: -80.046
Base-Backbone interact. energy: -0.065
local terms energy: -91.201868
where:
bonds (distance) C4'-P energy: -13.993
bonds (distance) P-C4' energy: -19.668
flat angles C4'-P-C4' energy: -19.184
flat angles P-C4'-P energy: -12.001
tors. eta vs tors. theta energy: -26.355
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: 4
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -271.429230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.429230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.429230 (E_RNA)
where:
Base-Base interactions energy: -187.007
where: short stacking energy: -72.741
Base-Backbone interact. energy: 2.405
local terms energy: -86.826702
where:
bonds (distance) C4'-P energy: -14.473
bonds (distance) P-C4' energy: -18.590
flat angles C4'-P-C4' energy: -19.826
flat angles P-C4'-P energy: -8.910
tors. eta vs tors. theta energy: -25.029
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: 1
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -263.181681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.181681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.181681 (E_RNA)
where:
Base-Base interactions energy: -186.395
where: short stacking energy: -70.529
Base-Backbone interact. energy: -0.617
local terms energy: -76.169851
where:
bonds (distance) C4'-P energy: -12.416
bonds (distance) P-C4' energy: -16.933
flat angles C4'-P-C4' energy: -17.077
flat angles P-C4'-P energy: -8.902
tors. eta vs tors. theta energy: -20.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -244.768573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.768573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.768573 (E_RNA)
where:
Base-Base interactions energy: -166.928
where: short stacking energy: -64.636
Base-Backbone interact. energy: -0.644
local terms energy: -77.196431
where:
bonds (distance) C4'-P energy: -12.273
bonds (distance) P-C4' energy: -15.572
flat angles C4'-P-C4' energy: -16.854
flat angles P-C4'-P energy: -11.866
tors. eta vs tors. theta energy: -20.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -163.223281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.223281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.223281 (E_RNA)
where:
Base-Base interactions energy: -109.545
where: short stacking energy: -57.963
Base-Backbone interact. energy: -0.112
local terms energy: -53.566596
where:
bonds (distance) C4'-P energy: -13.306
bonds (distance) P-C4' energy: -14.116
flat angles C4'-P-C4' energy: -16.588
flat angles P-C4'-P energy: -3.174
tors. eta vs tors. theta energy: -6.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -89.556716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.556716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.556716 (E_RNA)
where:
Base-Base interactions energy: -28.297
where: short stacking energy: -25.813
Base-Backbone interact. energy: -0.182
local terms energy: -61.078324
where:
bonds (distance) C4'-P energy: -17.606
bonds (distance) P-C4' energy: -19.483
flat angles C4'-P-C4' energy: -10.254
flat angles P-C4'-P energy: -12.452
tors. eta vs tors. theta energy: -1.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -85.530918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.530918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.530918 (E_RNA)
where:
Base-Base interactions energy: -28.685
where: short stacking energy: -22.289
Base-Backbone interact. energy: -1.332
local terms energy: -55.513047
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -16.676
flat angles C4'-P-C4' energy: -14.412
flat angles P-C4'-P energy: -10.602
tors. eta vs tors. theta energy: -0.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -291.765933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.765933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.765933 (E_RNA)
where:
Base-Base interactions energy: -199.201
where: short stacking energy: -76.030
Base-Backbone interact. energy: -1.945
local terms energy: -90.619788
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -19.422
flat angles C4'-P-C4' energy: -21.394
flat angles P-C4'-P energy: -13.377
tors. eta vs tors. theta energy: -23.182
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: 5
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -289.300806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.300806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.300806 (E_RNA)
where:
Base-Base interactions energy: -192.944
where: short stacking energy: -85.283
Base-Backbone interact. energy: -0.719
local terms energy: -95.637903
where:
bonds (distance) C4'-P energy: -18.807
bonds (distance) P-C4' energy: -20.157
flat angles C4'-P-C4' energy: -17.575
flat angles P-C4'-P energy: -13.172
tors. eta vs tors. theta energy: -25.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -270.558049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.558049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.558049 (E_RNA)
where:
Base-Base interactions energy: -176.696
where: short stacking energy: -80.248
Base-Backbone interact. energy: -0.095
local terms energy: -93.767628
where:
bonds (distance) C4'-P energy: -18.415
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -18.912
flat angles P-C4'-P energy: -14.922
tors. eta vs tors. theta energy: -23.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -270.074186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.074186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.074186 (E_RNA)
where:
Base-Base interactions energy: -183.632
where: short stacking energy: -70.049
Base-Backbone interact. energy: -0.044
local terms energy: -86.398869
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -18.728
flat angles C4'-P-C4' energy: -17.678
flat angles P-C4'-P energy: -15.382
tors. eta vs tors. theta energy: -22.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -268.452632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.452632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.452632 (E_RNA)
where:
Base-Base interactions energy: -177.533
where: short stacking energy: -76.233
Base-Backbone interact. energy: -0.625
local terms energy: -90.294835
where:
bonds (distance) C4'-P energy: -16.489
bonds (distance) P-C4' energy: -19.569
flat angles C4'-P-C4' energy: -18.349
flat angles P-C4'-P energy: -12.158
tors. eta vs tors. theta energy: -23.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -263.811230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.811230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.811230 (E_RNA)
where:
Base-Base interactions energy: -179.643
where: short stacking energy: -69.321
Base-Backbone interact. energy: -0.717
local terms energy: -83.451401
where:
bonds (distance) C4'-P energy: -13.343
bonds (distance) P-C4' energy: -14.729
flat angles C4'-P-C4' energy: -18.321
flat angles P-C4'-P energy: -13.423
tors. eta vs tors. theta energy: -23.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -247.152136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.152136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.152136 (E_RNA)
where:
Base-Base interactions energy: -175.893
where: short stacking energy: -63.118
Base-Backbone interact. energy: -0.251
local terms energy: -71.008024
where:
bonds (distance) C4'-P energy: -13.777
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -13.947
flat angles P-C4'-P energy: -11.078
tors. eta vs tors. theta energy: -15.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -91.333122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.333122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.333122 (E_RNA)
where:
Base-Base interactions energy: -29.766
where: short stacking energy: -24.881
Base-Backbone interact. energy: 0.334
local terms energy: -61.901344
where:
bonds (distance) C4'-P energy: -18.618
bonds (distance) P-C4' energy: -16.588
flat angles C4'-P-C4' energy: -14.145
flat angles P-C4'-P energy: -10.171
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: 7
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -100.109123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.109123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.109123 (E_RNA)
where:
Base-Base interactions energy: -37.293
where: short stacking energy: -35.145
Base-Backbone interact. energy: -0.567
local terms energy: -62.249099
where:
bonds (distance) C4'-P energy: -15.274
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -18.329
flat angles P-C4'-P energy: -8.543
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: 10, replica: 10
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -85.771091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.771091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.771091 (E_RNA)
where:
Base-Base interactions energy: -29.596
where: short stacking energy: -27.308
Base-Backbone interact. energy: -0.225
local terms energy: -55.950975
where:
bonds (distance) C4'-P energy: -14.269
bonds (distance) P-C4' energy: -12.496
flat angles C4'-P-C4' energy: -14.148
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -3.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -298.023114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.023114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.023114 (E_RNA)
where:
Base-Base interactions energy: -201.912
where: short stacking energy: -88.470
Base-Backbone interact. energy: 0.998
local terms energy: -97.108669
where:
bonds (distance) C4'-P energy: -18.430
bonds (distance) P-C4' energy: -20.436
flat angles C4'-P-C4' energy: -18.461
flat angles P-C4'-P energy: -11.190
tors. eta vs tors. theta energy: -28.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 268
Temperature: 0.950000
Total energy: -284.195419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.195419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.195419 (E_RNA)
where:
Base-Base interactions energy: -186.985
where: short stacking energy: -79.801
Base-Backbone interact. energy: 0.700
local terms energy: -97.910476
where:
bonds (distance) C4'-P energy: -17.856
bonds (distance) P-C4' energy: -22.853
flat angles C4'-P-C4' energy: -18.751
flat angles P-C4'-P energy: -14.559
tors. eta vs tors. theta energy: -23.893
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: 4
=====================================
Write number: 268
Temperature: 1.000000
Total energy: -276.755522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.755522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.755522 (E_RNA)
where:
Base-Base interactions energy: -187.603
where: short stacking energy: -69.466
Base-Backbone interact. energy: -0.224
local terms energy: -88.928554
where:
bonds (distance) C4'-P energy: -20.542
bonds (distance) P-C4' energy: -15.371
flat angles C4'-P-C4' energy: -18.816
flat angles P-C4'-P energy: -11.517
tors. eta vs tors. theta energy: -22.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -276.168223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.168223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.168223 (E_RNA)
where:
Base-Base interactions energy: -185.113
where: short stacking energy: -83.245
Base-Backbone interact. energy: -1.588
local terms energy: -89.467099
where:
bonds (distance) C4'-P energy: -12.677
bonds (distance) P-C4' energy: -19.444
flat angles C4'-P-C4' energy: -17.320
flat angles P-C4'-P energy: -12.285
tors. eta vs tors. theta energy: -27.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -271.963951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.963951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.963951 (E_RNA)
where:
Base-Base interactions energy: -180.750
where: short stacking energy: -80.466
Base-Backbone interact. energy: -0.078
local terms energy: -91.135327
where:
bonds (distance) C4'-P energy: -17.341
bonds (distance) P-C4' energy: -16.309
flat angles C4'-P-C4' energy: -19.735
flat angles P-C4'-P energy: -13.689
tors. eta vs tors. theta energy: -24.061
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: 2
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -256.005944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.005944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.005944 (E_RNA)
where:
Base-Base interactions energy: -175.507
where: short stacking energy: -76.517
Base-Backbone interact. energy: -0.079
local terms energy: -80.420641
where:
bonds (distance) C4'-P energy: -13.124
bonds (distance) P-C4' energy: -13.693
flat angles C4'-P-C4' energy: -17.132
flat angles P-C4'-P energy: -13.711
tors. eta vs tors. theta energy: -22.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -257.469064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.469064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.469064 (E_RNA)
where:
Base-Base interactions energy: -175.697
where: short stacking energy: -63.909
Base-Backbone interact. energy: -0.286
local terms energy: -81.485720
where:
bonds (distance) C4'-P energy: -16.866
bonds (distance) P-C4' energy: -11.152
flat angles C4'-P-C4' energy: -17.073
flat angles P-C4'-P energy: -15.387
tors. eta vs tors. theta energy: -21.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -102.461276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.461276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.461276 (E_RNA)
where:
Base-Base interactions energy: -35.678
where: short stacking energy: -35.678
Base-Backbone interact. energy: 1.057
local terms energy: -67.840821
where:
bonds (distance) C4'-P energy: -13.086
bonds (distance) P-C4' energy: -21.223
flat angles C4'-P-C4' energy: -14.554
flat angles P-C4'-P energy: -13.198
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: 9, replica: 10
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -93.279644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.279644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.279644 (E_RNA)
where:
Base-Base interactions energy: -32.869
where: short stacking energy: -28.280
Base-Backbone interact. energy: 3.314
local terms energy: -63.724206
where:
bonds (distance) C4'-P energy: -18.137
bonds (distance) P-C4' energy: -11.796
flat angles C4'-P-C4' energy: -12.797
flat angles P-C4'-P energy: -13.508
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: 10, replica: 7
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -86.525753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.525753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.525753 (E_RNA)
where:
Base-Base interactions energy: -27.287
where: short stacking energy: -15.564
Base-Backbone interact. energy: 0.586
local terms energy: -59.825061
where:
bonds (distance) C4'-P energy: -18.794
bonds (distance) P-C4' energy: -13.964
flat angles C4'-P-C4' energy: -11.138
flat angles P-C4'-P energy: -14.299
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: 1, replica: 5
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -293.045152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.045152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.045152 (E_RNA)
where:
Base-Base interactions energy: -197.324
where: short stacking energy: -81.073
Base-Backbone interact. energy: -0.502
local terms energy: -95.219513
where:
bonds (distance) C4'-P energy: -17.318
bonds (distance) P-C4' energy: -17.854
flat angles C4'-P-C4' energy: -19.841
flat angles P-C4'-P energy: -14.007
tors. eta vs tors. theta energy: -26.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -286.558574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.558574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.558574 (E_RNA)
where:
Base-Base interactions energy: -191.935
where: short stacking energy: -76.936
Base-Backbone interact. energy: -0.389
local terms energy: -94.235128
where:
bonds (distance) C4'-P energy: -18.853
bonds (distance) P-C4' energy: -15.916
flat angles C4'-P-C4' energy: -19.106
flat angles P-C4'-P energy: -13.664
tors. eta vs tors. theta energy: -26.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -283.829913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.829913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.829913 (E_RNA)
where:
Base-Base interactions energy: -187.851
where: short stacking energy: -80.310
Base-Backbone interact. energy: -0.370
local terms energy: -95.608375
where:
bonds (distance) C4'-P energy: -20.303
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -21.904
flat angles P-C4'-P energy: -10.913
tors. eta vs tors. theta energy: -27.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -270.971180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.971180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.971180 (E_RNA)
where:
Base-Base interactions energy: -178.133
where: short stacking energy: -72.451
Base-Backbone interact. energy: -0.835
local terms energy: -92.003374
where:
bonds (distance) C4'-P energy: -16.944
bonds (distance) P-C4' energy: -18.905
flat angles C4'-P-C4' energy: -19.168
flat angles P-C4'-P energy: -14.695
tors. eta vs tors. theta energy: -22.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -264.895880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.895880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.895880 (E_RNA)
where:
Base-Base interactions energy: -173.877
where: short stacking energy: -68.547
Base-Backbone interact. energy: -0.237
local terms energy: -90.781726
where:
bonds (distance) C4'-P energy: -16.039
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -19.821
flat angles P-C4'-P energy: -13.694
tors. eta vs tors. theta energy: -25.193
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: 3
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -243.187575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.187575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.187575 (E_RNA)
where:
Base-Base interactions energy: -155.380
where: short stacking energy: -65.887
Base-Backbone interact. energy: -0.049
local terms energy: -87.758453
where:
bonds (distance) C4'-P energy: -15.952
bonds (distance) P-C4' energy: -19.837
flat angles C4'-P-C4' energy: -17.355
flat angles P-C4'-P energy: -12.454
tors. eta vs tors. theta energy: -22.161
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: 2
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -259.137407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.137407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.137407 (E_RNA)
where:
Base-Base interactions energy: -178.995
where: short stacking energy: -69.735
Base-Backbone interact. energy: 0.133
local terms energy: -80.276199
where:
bonds (distance) C4'-P energy: -16.302
bonds (distance) P-C4' energy: -13.511
flat angles C4'-P-C4' energy: -12.779
flat angles P-C4'-P energy: -14.778
tors. eta vs tors. theta energy: -22.906
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: 6
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -104.876590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.876590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.876590 (E_RNA)
where:
Base-Base interactions energy: -43.152
where: short stacking energy: -42.677
Base-Backbone interact. energy: -0.139
local terms energy: -61.585468
where:
bonds (distance) C4'-P energy: -11.414
bonds (distance) P-C4' energy: -15.890
flat angles C4'-P-C4' energy: -17.975
flat angles P-C4'-P energy: -6.957
tors. eta vs tors. theta energy: -9.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -93.435264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.435264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.435264 (E_RNA)
where:
Base-Base interactions energy: -30.222
where: short stacking energy: -29.568
Base-Backbone interact. energy: -1.038
local terms energy: -62.174621
where:
bonds (distance) C4'-P energy: -14.166
bonds (distance) P-C4' energy: -18.136
flat angles C4'-P-C4' energy: -14.492
flat angles P-C4'-P energy: -14.734
tors. eta vs tors. theta energy: -0.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -82.507195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.507195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.507195 (E_RNA)
where:
Base-Base interactions energy: -41.252
where: short stacking energy: -18.603
Base-Backbone interact. energy: 3.096
local terms energy: -44.350557
where:
bonds (distance) C4'-P energy: -14.535
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -8.555
flat angles P-C4'-P energy: -7.915
tors. eta vs tors. theta energy: 2.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -292.267582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.267582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.267582 (E_RNA)
where:
Base-Base interactions energy: -199.002
where: short stacking energy: -86.418
Base-Backbone interact. energy: -2.211
local terms energy: -91.055393
where:
bonds (distance) C4'-P energy: -17.474
bonds (distance) P-C4' energy: -14.665
flat angles C4'-P-C4' energy: -17.949
flat angles P-C4'-P energy: -14.806
tors. eta vs tors. theta energy: -26.162
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: 8
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -281.897140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.897140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.897140 (E_RNA)
where:
Base-Base interactions energy: -188.810
where: short stacking energy: -71.040
Base-Backbone interact. energy: -0.227
local terms energy: -92.860562
where:
bonds (distance) C4'-P energy: -19.775
bonds (distance) P-C4' energy: -14.032
flat angles C4'-P-C4' energy: -19.094
flat angles P-C4'-P energy: -14.499
tors. eta vs tors. theta energy: -25.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -287.622669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.622669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.622669 (E_RNA)
where:
Base-Base interactions energy: -196.284
where: short stacking energy: -82.317
Base-Backbone interact. energy: -0.575
local terms energy: -90.763781
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -20.885
flat angles C4'-P-C4' energy: -18.522
flat angles P-C4'-P energy: -12.735
tors. eta vs tors. theta energy: -25.394
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: 9
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -275.595485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.595485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.595485 (E_RNA)
where:
Base-Base interactions energy: -183.106
where: short stacking energy: -79.242
Base-Backbone interact. energy: -0.075
local terms energy: -92.414379
where:
bonds (distance) C4'-P energy: -15.666
bonds (distance) P-C4' energy: -19.161
flat angles C4'-P-C4' energy: -16.378
flat angles P-C4'-P energy: -15.361
tors. eta vs tors. theta energy: -25.848
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: 3
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -253.048246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.048246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.048246 (E_RNA)
where:
Base-Base interactions energy: -162.650
where: short stacking energy: -73.918
Base-Backbone interact. energy: -0.211
local terms energy: -90.186781
where:
bonds (distance) C4'-P energy: -13.227
bonds (distance) P-C4' energy: -19.009
flat angles C4'-P-C4' energy: -19.629
flat angles P-C4'-P energy: -17.436
tors. eta vs tors. theta energy: -20.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -260.384997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.384997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.384997 (E_RNA)
where:
Base-Base interactions energy: -180.295
where: short stacking energy: -62.587
Base-Backbone interact. energy: -1.522
local terms energy: -78.568131
where:
bonds (distance) C4'-P energy: -18.128
bonds (distance) P-C4' energy: -19.232
flat angles C4'-P-C4' energy: -12.276
flat angles P-C4'-P energy: -10.771
tors. eta vs tors. theta energy: -18.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -273.967004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.967004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.967004 (E_RNA)
where:
Base-Base interactions energy: -188.520
where: short stacking energy: -77.796
Base-Backbone interact. energy: -0.653
local terms energy: -84.794499
where:
bonds (distance) C4'-P energy: -17.308
bonds (distance) P-C4' energy: -16.322
flat angles C4'-P-C4' energy: -17.722
flat angles P-C4'-P energy: -13.316
tors. eta vs tors. theta energy: -20.126
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: 6
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -98.325262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.325262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.325262 (E_RNA)
where:
Base-Base interactions energy: -34.731
where: short stacking energy: -30.907
Base-Backbone interact. energy: 0.065
local terms energy: -63.659050
where:
bonds (distance) C4'-P energy: -15.652
bonds (distance) P-C4' energy: -17.626
flat angles C4'-P-C4' energy: -9.638
flat angles P-C4'-P energy: -13.205
tors. eta vs tors. theta energy: -7.539
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: 270
Temperature: 1.300000
Total energy: -92.428623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.428623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.428623 (E_RNA)
where:
Base-Base interactions energy: -36.306
where: short stacking energy: -34.345
Base-Backbone interact. energy: -0.205
local terms energy: -55.917285
where:
bonds (distance) C4'-P energy: -13.901
bonds (distance) P-C4' energy: -13.920
flat angles C4'-P-C4' energy: -13.043
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -5.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -87.651810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.651810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.651810 (E_RNA)
where:
Base-Base interactions energy: -41.921
where: short stacking energy: -40.050
Base-Backbone interact. energy: -0.080
local terms energy: -45.651076
where:
bonds (distance) C4'-P energy: -10.557
bonds (distance) P-C4' energy: -12.373
flat angles C4'-P-C4' energy: -10.987
flat angles P-C4'-P energy: -6.990
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: 1, replica: 5
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -295.636000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.636000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.636000 (E_RNA)
where:
Base-Base interactions energy: -187.258
where: short stacking energy: -83.385
Base-Backbone interact. energy: -0.001
local terms energy: -108.377027
where:
bonds (distance) C4'-P energy: -22.343
bonds (distance) P-C4' energy: -20.569
flat angles C4'-P-C4' energy: -22.369
flat angles P-C4'-P energy: -16.680
tors. eta vs tors. theta energy: -26.416
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: 4
=====================================
Write number: 271
Temperature: 0.950000
Total energy: -285.358086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.358086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.358086 (E_RNA)
where:
Base-Base interactions energy: -195.932
where: short stacking energy: -78.444
Base-Backbone interact. energy: -0.078
local terms energy: -89.348168
where:
bonds (distance) C4'-P energy: -17.466
bonds (distance) P-C4' energy: -17.282
flat angles C4'-P-C4' energy: -18.442
flat angles P-C4'-P energy: -11.994
tors. eta vs tors. theta energy: -24.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -286.125521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.125521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.125521 (E_RNA)
where:
Base-Base interactions energy: -196.943
where: short stacking energy: -73.236
Base-Backbone interact. energy: -0.120
local terms energy: -89.062129
where:
bonds (distance) C4'-P energy: -16.076
bonds (distance) P-C4' energy: -20.010
flat angles C4'-P-C4' energy: -16.912
flat angles P-C4'-P energy: -13.701
tors. eta vs tors. theta energy: -22.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -260.223180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.223180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.223180 (E_RNA)
where:
Base-Base interactions energy: -172.297
where: short stacking energy: -78.416
Base-Backbone interact. energy: -0.129
local terms energy: -87.797671
where:
bonds (distance) C4'-P energy: -16.357
bonds (distance) P-C4' energy: -19.577
flat angles C4'-P-C4' energy: -15.282
flat angles P-C4'-P energy: -13.906
tors. eta vs tors. theta energy: -22.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -269.726376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.726376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.726376 (E_RNA)
where:
Base-Base interactions energy: -180.132
where: short stacking energy: -76.942
Base-Backbone interact. energy: -0.158
local terms energy: -89.436164
where:
bonds (distance) C4'-P energy: -18.481
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -15.120
flat angles P-C4'-P energy: -13.626
tors. eta vs tors. theta energy: -24.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -270.056413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.056413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.056413 (E_RNA)
where:
Base-Base interactions energy: -182.011
where: short stacking energy: -78.744
Base-Backbone interact. energy: -0.644
local terms energy: -87.401374
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -16.354
flat angles C4'-P-C4' energy: -18.055
flat angles P-C4'-P energy: -12.617
tors. eta vs tors. theta energy: -26.553
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: 271
Temperature: 1.200000
Total energy: -257.522483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.522483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.522483 (E_RNA)
where:
Base-Base interactions energy: -182.897
where: short stacking energy: -60.891
Base-Backbone interact. energy: -0.760
local terms energy: -73.865784
where:
bonds (distance) C4'-P energy: -15.864
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -15.118
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: -19.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -87.122886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.122886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.122886 (E_RNA)
where:
Base-Base interactions energy: -23.764
where: short stacking energy: -22.991
Base-Backbone interact. energy: 0.958
local terms energy: -64.317024
where:
bonds (distance) C4'-P energy: -13.947
bonds (distance) P-C4' energy: -21.444
flat angles C4'-P-C4' energy: -18.361
flat angles P-C4'-P energy: -12.528
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: 9, replica: 6
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -96.295704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.295704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.295704 (E_RNA)
where:
Base-Base interactions energy: -42.217
where: short stacking energy: -42.217
Base-Backbone interact. energy: -0.221
local terms energy: -53.857651
where:
bonds (distance) C4'-P energy: -16.799
bonds (distance) P-C4' energy: -16.867
flat angles C4'-P-C4' energy: -8.377
flat angles P-C4'-P energy: -11.697
tors. eta vs tors. theta energy: -0.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -84.516575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.516575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.516575 (E_RNA)
where:
Base-Base interactions energy: -33.712
where: short stacking energy: -27.534
Base-Backbone interact. energy: 1.786
local terms energy: -52.590656
where:
bonds (distance) C4'-P energy: -14.350
bonds (distance) P-C4' energy: -12.574
flat angles C4'-P-C4' energy: -13.253
flat angles P-C4'-P energy: -12.329
tors. eta vs tors. theta energy: -0.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -291.485367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.485367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.485367 (E_RNA)
where:
Base-Base interactions energy: -193.084
where: short stacking energy: -83.263
Base-Backbone interact. energy: -1.903
local terms energy: -96.497952
where:
bonds (distance) C4'-P energy: -18.120
bonds (distance) P-C4' energy: -19.164
flat angles C4'-P-C4' energy: -19.252
flat angles P-C4'-P energy: -12.576
tors. eta vs tors. theta energy: -27.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -295.549412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.549412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.549412 (E_RNA)
where:
Base-Base interactions energy: -196.472
where: short stacking energy: -79.667
Base-Backbone interact. energy: 0.856
local terms energy: -99.933649
where:
bonds (distance) C4'-P energy: -20.199
bonds (distance) P-C4' energy: -19.310
flat angles C4'-P-C4' energy: -22.327
flat angles P-C4'-P energy: -12.149
tors. eta vs tors. theta energy: -25.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -285.261210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.261210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.261210 (E_RNA)
where:
Base-Base interactions energy: -184.675
where: short stacking energy: -74.062
Base-Backbone interact. energy: -1.092
local terms energy: -99.494007
where:
bonds (distance) C4'-P energy: -19.181
bonds (distance) P-C4' energy: -21.606
flat angles C4'-P-C4' energy: -21.833
flat angles P-C4'-P energy: -12.718
tors. eta vs tors. theta energy: -24.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -283.846324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.846324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.846324 (E_RNA)
where:
Base-Base interactions energy: -188.940
where: short stacking energy: -81.912
Base-Backbone interact. energy: -0.057
local terms energy: -94.848848
where:
bonds (distance) C4'-P energy: -17.590
bonds (distance) P-C4' energy: -18.389
flat angles C4'-P-C4' energy: -21.013
flat angles P-C4'-P energy: -12.330
tors. eta vs tors. theta energy: -25.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -253.649258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.649258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.649258 (E_RNA)
where:
Base-Base interactions energy: -174.392
where: short stacking energy: -68.780
Base-Backbone interact. energy: 0.549
local terms energy: -79.806077
where:
bonds (distance) C4'-P energy: -17.507
bonds (distance) P-C4' energy: -18.567
flat angles C4'-P-C4' energy: -13.625
flat angles P-C4'-P energy: -12.519
tors. eta vs tors. theta energy: -17.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -264.231180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.231180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.231180 (E_RNA)
where:
Base-Base interactions energy: -176.933
where: short stacking energy: -80.805
Base-Backbone interact. energy: 0.318
local terms energy: -87.615587
where:
bonds (distance) C4'-P energy: -19.864
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -12.552
flat angles P-C4'-P energy: -11.949
tors. eta vs tors. theta energy: -26.309
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: 272
Temperature: 1.200000
Total energy: -255.968001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.968001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.968001 (E_RNA)
where:
Base-Base interactions energy: -171.817
where: short stacking energy: -62.656
Base-Backbone interact. energy: -0.117
local terms energy: -84.034666
where:
bonds (distance) C4'-P energy: -18.799
bonds (distance) P-C4' energy: -16.661
flat angles C4'-P-C4' energy: -17.985
flat angles P-C4'-P energy: -11.710
tors. eta vs tors. theta energy: -18.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 272
Temperature: 1.250000
Total energy: -94.473428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.473428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.473428 (E_RNA)
where:
Base-Base interactions energy: -38.744
where: short stacking energy: -31.150
Base-Backbone interact. energy: -0.010
local terms energy: -55.720006
where:
bonds (distance) C4'-P energy: -15.272
bonds (distance) P-C4' energy: -20.078
flat angles C4'-P-C4' energy: -13.597
flat angles P-C4'-P energy: -10.742
tors. eta vs tors. theta energy: 3.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -90.480917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.480917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.480917 (E_RNA)
where:
Base-Base interactions energy: -45.141
where: short stacking energy: -32.277
Base-Backbone interact. energy: -0.368
local terms energy: -44.971754
where:
bonds (distance) C4'-P energy: -11.090
bonds (distance) P-C4' energy: -17.116
flat angles C4'-P-C4' energy: -11.732
flat angles P-C4'-P energy: -7.357
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: 272
Temperature: 1.350000
Total energy: -88.618750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.618750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.618750 (E_RNA)
where:
Base-Base interactions energy: -29.222
where: short stacking energy: -27.093
Base-Backbone interact. energy: 2.554
local terms energy: -61.950432
where:
bonds (distance) C4'-P energy: -15.840
bonds (distance) P-C4' energy: -20.519
flat angles C4'-P-C4' energy: -12.222
flat angles P-C4'-P energy: -8.939
tors. eta vs tors. theta energy: -4.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -291.406670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.406670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.406670 (E_RNA)
where:
Base-Base interactions energy: -191.753
where: short stacking energy: -84.151
Base-Backbone interact. energy: -0.742
local terms energy: -98.911028
where:
bonds (distance) C4'-P energy: -14.734
bonds (distance) P-C4' energy: -19.371
flat angles C4'-P-C4' energy: -20.844
flat angles P-C4'-P energy: -17.734
tors. eta vs tors. theta energy: -26.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -281.932447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.932447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.932447 (E_RNA)
where:
Base-Base interactions energy: -187.238
where: short stacking energy: -74.485
Base-Backbone interact. energy: -0.047
local terms energy: -94.647747
where:
bonds (distance) C4'-P energy: -20.155
bonds (distance) P-C4' energy: -20.070
flat angles C4'-P-C4' energy: -17.097
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -25.778
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: 3, replica: 9
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -284.093970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.093970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.093970 (E_RNA)
where:
Base-Base interactions energy: -194.265
where: short stacking energy: -78.640
Base-Backbone interact. energy: -0.012
local terms energy: -89.816815
where:
bonds (distance) C4'-P energy: -20.007
bonds (distance) P-C4' energy: -15.374
flat angles C4'-P-C4' energy: -17.351
flat angles P-C4'-P energy: -11.428
tors. eta vs tors. theta energy: -25.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -275.385686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.385686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.385686 (E_RNA)
where:
Base-Base interactions energy: -183.782
where: short stacking energy: -71.818
Base-Backbone interact. energy: -0.355
local terms energy: -91.248061
where:
bonds (distance) C4'-P energy: -17.109
bonds (distance) P-C4' energy: -20.306
flat angles C4'-P-C4' energy: -18.128
flat angles P-C4'-P energy: -11.875
tors. eta vs tors. theta energy: -23.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -287.917228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.917228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.917228 (E_RNA)
where:
Base-Base interactions energy: -196.652
where: short stacking energy: -78.621
Base-Backbone interact. energy: -0.039
local terms energy: -91.226761
where:
bonds (distance) C4'-P energy: -17.565
bonds (distance) P-C4' energy: -14.389
flat angles C4'-P-C4' energy: -19.140
flat angles P-C4'-P energy: -16.431
tors. eta vs tors. theta energy: -23.701
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: 6, replica: 1
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -256.595680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.595680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.595680 (E_RNA)
where:
Base-Base interactions energy: -176.701
where: short stacking energy: -61.351
Base-Backbone interact. energy: -0.132
local terms energy: -79.762896
where:
bonds (distance) C4'-P energy: -14.031
bonds (distance) P-C4' energy: -18.048
flat angles C4'-P-C4' energy: -16.683
flat angles P-C4'-P energy: -9.839
tors. eta vs tors. theta energy: -21.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -249.882558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.882558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.882558 (E_RNA)
where:
Base-Base interactions energy: -162.825
where: short stacking energy: -70.535
Base-Backbone interact. energy: -1.449
local terms energy: -85.608240
where:
bonds (distance) C4'-P energy: -19.169
bonds (distance) P-C4' energy: -19.382
flat angles C4'-P-C4' energy: -19.045
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -17.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -91.847004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.847004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.847004 (E_RNA)
where:
Base-Base interactions energy: -34.823
where: short stacking energy: -32.393
Base-Backbone interact. energy: -0.517
local terms energy: -56.506829
where:
bonds (distance) C4'-P energy: -16.937
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -13.423
tors. eta vs tors. theta energy: 5.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -94.092887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.092887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.092887 (E_RNA)
where:
Base-Base interactions energy: -26.457
where: short stacking energy: -24.102
Base-Backbone interact. energy: -0.031
local terms energy: -67.604992
where:
bonds (distance) C4'-P energy: -19.268
bonds (distance) P-C4' energy: -20.609
flat angles C4'-P-C4' energy: -15.221
flat angles P-C4'-P energy: -13.381
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: 10, replica: 6
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -96.491755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.491755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.491755 (E_RNA)
where:
Base-Base interactions energy: -31.294
where: short stacking energy: -20.588
Base-Backbone interact. energy: -0.249
local terms energy: -64.948769
where:
bonds (distance) C4'-P energy: -14.912
bonds (distance) P-C4' energy: -20.978
flat angles C4'-P-C4' energy: -19.371
flat angles P-C4'-P energy: -11.114
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: 1, replica: 5
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -297.855257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.855257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.855257 (E_RNA)
where:
Base-Base interactions energy: -195.784
where: short stacking energy: -90.927
Base-Backbone interact. energy: -0.406
local terms energy: -101.664991
where:
bonds (distance) C4'-P energy: -21.374
bonds (distance) P-C4' energy: -21.346
flat angles C4'-P-C4' energy: -21.048
flat angles P-C4'-P energy: -12.408
tors. eta vs tors. theta energy: -25.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -292.891576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.891576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.891576 (E_RNA)
where:
Base-Base interactions energy: -203.467
where: short stacking energy: -84.231
Base-Backbone interact. energy: -0.019
local terms energy: -89.405900
where:
bonds (distance) C4'-P energy: -18.647
bonds (distance) P-C4' energy: -21.378
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -10.301
tors. eta vs tors. theta energy: -23.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -281.227438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.227438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.227438 (E_RNA)
where:
Base-Base interactions energy: -187.453
where: short stacking energy: -71.889
Base-Backbone interact. energy: -1.008
local terms energy: -92.766529
where:
bonds (distance) C4'-P energy: -21.507
bonds (distance) P-C4' energy: -19.963
flat angles C4'-P-C4' energy: -16.476
flat angles P-C4'-P energy: -7.535
tors. eta vs tors. theta energy: -27.286
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: 9
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -279.531208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.531208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.531208 (E_RNA)
where:
Base-Base interactions energy: -187.107
where: short stacking energy: -75.047
Base-Backbone interact. energy: -0.004
local terms energy: -92.420975
where:
bonds (distance) C4'-P energy: -18.672
bonds (distance) P-C4' energy: -16.500
flat angles C4'-P-C4' energy: -18.302
flat angles P-C4'-P energy: -14.486
tors. eta vs tors. theta energy: -24.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -271.606635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.606635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.606635 (E_RNA)
where:
Base-Base interactions energy: -175.003
where: short stacking energy: -83.209
Base-Backbone interact. energy: -0.030
local terms energy: -96.572958
where:
bonds (distance) C4'-P energy: -15.513
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -21.033
flat angles P-C4'-P energy: -15.827
tors. eta vs tors. theta energy: -28.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -286.139844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.139844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.139844 (E_RNA)
where:
Base-Base interactions energy: -190.023
where: short stacking energy: -77.534
Base-Backbone interact. energy: -0.002
local terms energy: -96.115120
where:
bonds (distance) C4'-P energy: -16.813
bonds (distance) P-C4' energy: -16.708
flat angles C4'-P-C4' energy: -21.831
flat angles P-C4'-P energy: -15.011
tors. eta vs tors. theta energy: -25.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -258.708336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.708336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.708336 (E_RNA)
where:
Base-Base interactions energy: -175.679
where: short stacking energy: -65.589
Base-Backbone interact. energy: -1.868
local terms energy: -81.161041
where:
bonds (distance) C4'-P energy: -14.940
bonds (distance) P-C4' energy: -16.934
flat angles C4'-P-C4' energy: -18.625
flat angles P-C4'-P energy: -7.985
tors. eta vs tors. theta energy: -22.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -109.854949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.854949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.854949 (E_RNA)
where:
Base-Base interactions energy: -59.031
where: short stacking energy: -33.257
Base-Backbone interact. energy: 0.581
local terms energy: -51.404371
where:
bonds (distance) C4'-P energy: -19.130
bonds (distance) P-C4' energy: -18.566
flat angles C4'-P-C4' energy: -9.118
flat angles P-C4'-P energy: -3.973
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: 9, replica: 6
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -89.113034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.113034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.113034 (E_RNA)
where:
Base-Base interactions energy: -27.121
where: short stacking energy: -24.896
Base-Backbone interact. energy: 5.849
local terms energy: -67.840907
where:
bonds (distance) C4'-P energy: -17.572
bonds (distance) P-C4' energy: -20.418
flat angles C4'-P-C4' energy: -14.423
flat angles P-C4'-P energy: -13.666
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: 10
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -86.593460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.593460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.593460 (E_RNA)
where:
Base-Base interactions energy: -28.732
where: short stacking energy: -25.951
Base-Backbone interact. energy: -0.097
local terms energy: -57.764266
where:
bonds (distance) C4'-P energy: -15.131
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -15.302
flat angles P-C4'-P energy: -5.600
tors. eta vs tors. theta energy: -4.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -291.187694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.187694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.187694 (E_RNA)
where:
Base-Base interactions energy: -196.622
where: short stacking energy: -86.427
Base-Backbone interact. energy: -0.005
local terms energy: -94.560827
where:
bonds (distance) C4'-P energy: -16.696
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -20.712
flat angles P-C4'-P energy: -15.043
tors. eta vs tors. theta energy: -25.359
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: 4
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -289.062939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.062939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.062939 (E_RNA)
where:
Base-Base interactions energy: -188.144
where: short stacking energy: -77.418
Base-Backbone interact. energy: 0.199
local terms energy: -101.118207
where:
bonds (distance) C4'-P energy: -19.274
bonds (distance) P-C4' energy: -17.861
flat angles C4'-P-C4' energy: -21.073
flat angles P-C4'-P energy: -18.080
tors. eta vs tors. theta energy: -24.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -278.975492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.975492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.975492 (E_RNA)
where:
Base-Base interactions energy: -193.962
where: short stacking energy: -78.354
Base-Backbone interact. energy: -0.407
local terms energy: -84.606866
where:
bonds (distance) C4'-P energy: -17.843
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -16.770
flat angles P-C4'-P energy: -12.177
tors. eta vs tors. theta energy: -24.050
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: 1
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -267.190707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.190707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.190707 (E_RNA)
where:
Base-Base interactions energy: -177.767
where: short stacking energy: -80.883
Base-Backbone interact. energy: -0.029
local terms energy: -89.394195
where:
bonds (distance) C4'-P energy: -18.479
bonds (distance) P-C4' energy: -18.357
flat angles C4'-P-C4' energy: -15.933
flat angles P-C4'-P energy: -14.202
tors. eta vs tors. theta energy: -22.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -276.080493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.080493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.080493 (E_RNA)
where:
Base-Base interactions energy: -190.638
where: short stacking energy: -78.147
Base-Backbone interact. energy: -1.008
local terms energy: -84.434148
where:
bonds (distance) C4'-P energy: -15.128
bonds (distance) P-C4' energy: -20.182
flat angles C4'-P-C4' energy: -15.819
flat angles P-C4'-P energy: -7.341
tors. eta vs tors. theta energy: -25.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -259.437399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.437399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.437399 (E_RNA)
where:
Base-Base interactions energy: -172.810
where: short stacking energy: -73.474
Base-Backbone interact. energy: -0.879
local terms energy: -85.749061
where:
bonds (distance) C4'-P energy: -20.265
bonds (distance) P-C4' energy: -10.503
flat angles C4'-P-C4' energy: -17.749
flat angles P-C4'-P energy: -12.364
tors. eta vs tors. theta energy: -24.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -252.829046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.829046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.829046 (E_RNA)
where:
Base-Base interactions energy: -176.277
where: short stacking energy: -76.234
Base-Backbone interact. energy: -0.312
local terms energy: -76.240387
where:
bonds (distance) C4'-P energy: -15.463
bonds (distance) P-C4' energy: -4.749
flat angles C4'-P-C4' energy: -18.491
flat angles P-C4'-P energy: -15.880
tors. eta vs tors. theta energy: -21.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -91.508576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.508576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.508576 (E_RNA)
where:
Base-Base interactions energy: -38.838
where: short stacking energy: -38.838
Base-Backbone interact. energy: 0.487
local terms energy: -53.157291
where:
bonds (distance) C4'-P energy: -18.050
bonds (distance) P-C4' energy: -13.514
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -6.131
tors. eta vs tors. theta energy: -0.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -90.866786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.866786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.866786 (E_RNA)
where:
Base-Base interactions energy: -31.254
where: short stacking energy: -31.254
Base-Backbone interact. energy: -0.608
local terms energy: -59.005384
where:
bonds (distance) C4'-P energy: -13.945
bonds (distance) P-C4' energy: -19.440
flat angles C4'-P-C4' energy: -17.431
flat angles P-C4'-P energy: -7.894
tors. eta vs tors. theta energy: -0.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -82.233317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.233317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.233317 (E_RNA)
where:
Base-Base interactions energy: -32.329
where: short stacking energy: -32.329
Base-Backbone interact. energy: -0.590
local terms energy: -49.313467
where:
bonds (distance) C4'-P energy: -12.278
bonds (distance) P-C4' energy: -18.608
flat angles C4'-P-C4' energy: -6.636
flat angles P-C4'-P energy: -10.714
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: 5
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -291.831025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.831025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.831025 (E_RNA)
where:
Base-Base interactions energy: -201.750
where: short stacking energy: -85.226
Base-Backbone interact. energy: -0.002
local terms energy: -90.079108
where:
bonds (distance) C4'-P energy: -17.587
bonds (distance) P-C4' energy: -16.669
flat angles C4'-P-C4' energy: -18.442
flat angles P-C4'-P energy: -13.981
tors. eta vs tors. theta energy: -23.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -291.643102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.643102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.643102 (E_RNA)
where:
Base-Base interactions energy: -201.671
where: short stacking energy: -89.861
Base-Backbone interact. energy: -0.010
local terms energy: -89.962516
where:
bonds (distance) C4'-P energy: -18.672
bonds (distance) P-C4' energy: -18.389
flat angles C4'-P-C4' energy: -16.961
flat angles P-C4'-P energy: -11.313
tors. eta vs tors. theta energy: -24.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -282.831653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.831653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.831653 (E_RNA)
where:
Base-Base interactions energy: -194.039
where: short stacking energy: -79.276
Base-Backbone interact. energy: -0.856
local terms energy: -87.937123
where:
bonds (distance) C4'-P energy: -19.226
bonds (distance) P-C4' energy: -16.818
flat angles C4'-P-C4' energy: -16.681
flat angles P-C4'-P energy: -12.699
tors. eta vs tors. theta energy: -22.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -269.134572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.134572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.134572 (E_RNA)
where:
Base-Base interactions energy: -176.223
where: short stacking energy: -70.488
Base-Backbone interact. energy: -0.049
local terms energy: -92.862932
where:
bonds (distance) C4'-P energy: -16.870
bonds (distance) P-C4' energy: -21.289
flat angles C4'-P-C4' energy: -18.089
flat angles P-C4'-P energy: -10.570
tors. eta vs tors. theta energy: -26.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -268.701075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.701075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.701075 (E_RNA)
where:
Base-Base interactions energy: -175.912
where: short stacking energy: -73.258
Base-Backbone interact. energy: -0.621
local terms energy: -92.168714
where:
bonds (distance) C4'-P energy: -14.650
bonds (distance) P-C4' energy: -20.556
flat angles C4'-P-C4' energy: -20.427
flat angles P-C4'-P energy: -12.418
tors. eta vs tors. theta energy: -24.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -258.863369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.863369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.863369 (E_RNA)
where:
Base-Base interactions energy: -178.709
where: short stacking energy: -66.297
Base-Backbone interact. energy: -1.196
local terms energy: -78.958675
where:
bonds (distance) C4'-P energy: -17.094
bonds (distance) P-C4' energy: -19.995
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -6.961
tors. eta vs tors. theta energy: -19.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -244.978312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.978312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.978312 (E_RNA)
where:
Base-Base interactions energy: -162.540
where: short stacking energy: -62.768
Base-Backbone interact. energy: -0.121
local terms energy: -82.317534
where:
bonds (distance) C4'-P energy: -20.716
bonds (distance) P-C4' energy: -18.272
flat angles C4'-P-C4' energy: -13.511
flat angles P-C4'-P energy: -10.377
tors. eta vs tors. theta energy: -19.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -98.824453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.824453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.824453 (E_RNA)
where:
Base-Base interactions energy: -45.557
where: short stacking energy: -30.305
Base-Backbone interact. energy: -0.171
local terms energy: -53.097242
where:
bonds (distance) C4'-P energy: -12.639
bonds (distance) P-C4' energy: -19.400
flat angles C4'-P-C4' energy: -15.840
flat angles P-C4'-P energy: -4.380
tors. eta vs tors. theta energy: -0.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -89.022103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.022103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.022103 (E_RNA)
where:
Base-Base interactions energy: -35.376
where: short stacking energy: -31.523
Base-Backbone interact. energy: -0.694
local terms energy: -52.952166
where:
bonds (distance) C4'-P energy: -11.828
bonds (distance) P-C4' energy: -18.076
flat angles C4'-P-C4' energy: -11.947
flat angles P-C4'-P energy: -8.981
tors. eta vs tors. theta energy: -2.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -92.092771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.092771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.092771 (E_RNA)
where:
Base-Base interactions energy: -29.232
where: short stacking energy: -29.232
Base-Backbone interact. energy: 1.078
local terms energy: -63.939089
where:
bonds (distance) C4'-P energy: -16.584
bonds (distance) P-C4' energy: -16.222
flat angles C4'-P-C4' energy: -10.212
flat angles P-C4'-P energy: -12.587
tors. eta vs tors. theta energy: -8.334
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: 5
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -290.422887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.422887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.422887 (E_RNA)
where:
Base-Base interactions energy: -195.815
where: short stacking energy: -85.340
Base-Backbone interact. energy: -0.007
local terms energy: -94.601039
where:
bonds (distance) C4'-P energy: -19.284
bonds (distance) P-C4' energy: -15.357
flat angles C4'-P-C4' energy: -18.214
flat angles P-C4'-P energy: -14.049
tors. eta vs tors. theta energy: -27.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -294.122343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.122343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.122343 (E_RNA)
where:
Base-Base interactions energy: -203.348
where: short stacking energy: -86.628
Base-Backbone interact. energy: -0.102
local terms energy: -90.672379
where:
bonds (distance) C4'-P energy: -17.317
bonds (distance) P-C4' energy: -15.770
flat angles C4'-P-C4' energy: -19.867
flat angles P-C4'-P energy: -9.924
tors. eta vs tors. theta energy: -27.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -286.758202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.758202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.758202 (E_RNA)
where:
Base-Base interactions energy: -193.693
where: short stacking energy: -82.239
Base-Backbone interact. energy: -0.320
local terms energy: -92.745809
where:
bonds (distance) C4'-P energy: -18.750
bonds (distance) P-C4' energy: -18.792
flat angles C4'-P-C4' energy: -17.956
flat angles P-C4'-P energy: -9.234
tors. eta vs tors. theta energy: -28.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -281.078552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.078552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.078552 (E_RNA)
where:
Base-Base interactions energy: -187.212
where: short stacking energy: -71.615
Base-Backbone interact. energy: -0.426
local terms energy: -93.440733
where:
bonds (distance) C4'-P energy: -16.679
bonds (distance) P-C4' energy: -17.959
flat angles C4'-P-C4' energy: -20.166
flat angles P-C4'-P energy: -14.971
tors. eta vs tors. theta energy: -23.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 277
Temperature: 1.100000
Total energy: -270.730165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.730165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.730165 (E_RNA)
where:
Base-Base interactions energy: -180.549
where: short stacking energy: -73.164
Base-Backbone interact. energy: -1.040
local terms energy: -89.140877
where:
bonds (distance) C4'-P energy: -13.789
bonds (distance) P-C4' energy: -18.520
flat angles C4'-P-C4' energy: -19.432
flat angles P-C4'-P energy: -14.759
tors. eta vs tors. theta energy: -22.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -258.427605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.427605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.427605 (E_RNA)
where:
Base-Base interactions energy: -171.495
where: short stacking energy: -63.462
Base-Backbone interact. energy: -0.906
local terms energy: -86.026961
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -13.459
flat angles C4'-P-C4' energy: -17.495
flat angles P-C4'-P energy: -15.766
tors. eta vs tors. theta energy: -24.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -256.927569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.927569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.927569 (E_RNA)
where:
Base-Base interactions energy: -172.291
where: short stacking energy: -64.174
Base-Backbone interact. energy: -0.798
local terms energy: -83.839254
where:
bonds (distance) C4'-P energy: -17.608
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -15.852
flat angles P-C4'-P energy: -13.632
tors. eta vs tors. theta energy: -20.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -103.016295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.016295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.016295 (E_RNA)
where:
Base-Base interactions energy: -38.329
where: short stacking energy: -30.255
Base-Backbone interact. energy: -0.190
local terms energy: -64.496928
where:
bonds (distance) C4'-P energy: -18.278
bonds (distance) P-C4' energy: -18.041
flat angles C4'-P-C4' energy: -10.655
flat angles P-C4'-P energy: -10.316
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: 9, replica: 6
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -87.694823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.694823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.694823 (E_RNA)
where:
Base-Base interactions energy: -30.156
where: short stacking energy: -30.753
Base-Backbone interact. energy: 0.200
local terms energy: -57.739154
where:
bonds (distance) C4'-P energy: -16.559
bonds (distance) P-C4' energy: -16.691
flat angles C4'-P-C4' energy: -15.927
flat angles P-C4'-P energy: -7.648
tors. eta vs tors. theta energy: -0.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -89.420427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.420427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.420427 (E_RNA)
where:
Base-Base interactions energy: -28.464
where: short stacking energy: -26.009
Base-Backbone interact. energy: 0.611
local terms energy: -61.567533
where:
bonds (distance) C4'-P energy: -17.963
bonds (distance) P-C4' energy: -19.305
flat angles C4'-P-C4' energy: -13.252
flat angles P-C4'-P energy: -14.362
tors. eta vs tors. theta energy: 3.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -288.437796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.437796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.437796 (E_RNA)
where:
Base-Base interactions energy: -197.166
where: short stacking energy: -77.878
Base-Backbone interact. energy: -0.145
local terms energy: -91.126915
where:
bonds (distance) C4'-P energy: -18.497
bonds (distance) P-C4' energy: -19.088
flat angles C4'-P-C4' energy: -16.609
flat angles P-C4'-P energy: -14.679
tors. eta vs tors. theta energy: -22.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -283.739428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.739428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.739428 (E_RNA)
where:
Base-Base interactions energy: -191.876
where: short stacking energy: -76.387
Base-Backbone interact. energy: -0.066
local terms energy: -91.797376
where:
bonds (distance) C4'-P energy: -11.522
bonds (distance) P-C4' energy: -18.790
flat angles C4'-P-C4' energy: -20.776
flat angles P-C4'-P energy: -12.995
tors. eta vs tors. theta energy: -27.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -277.982584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.982584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.982584 (E_RNA)
where:
Base-Base interactions energy: -179.540
where: short stacking energy: -85.516
Base-Backbone interact. energy: -0.050
local terms energy: -98.392590
where:
bonds (distance) C4'-P energy: -18.709
bonds (distance) P-C4' energy: -19.410
flat angles C4'-P-C4' energy: -21.977
flat angles P-C4'-P energy: -11.438
tors. eta vs tors. theta energy: -26.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -275.583924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.583924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.583924 (E_RNA)
where:
Base-Base interactions energy: -190.876
where: short stacking energy: -80.044
Base-Backbone interact. energy: -0.460
local terms energy: -84.247421
where:
bonds (distance) C4'-P energy: -16.317
bonds (distance) P-C4' energy: -13.663
flat angles C4'-P-C4' energy: -15.390
flat angles P-C4'-P energy: -11.903
tors. eta vs tors. theta energy: -26.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -272.935977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.935977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.935977 (E_RNA)
where:
Base-Base interactions energy: -182.705
where: short stacking energy: -71.418
Base-Backbone interact. energy: 0.431
local terms energy: -90.661926
where:
bonds (distance) C4'-P energy: -18.765
bonds (distance) P-C4' energy: -15.664
flat angles C4'-P-C4' energy: -17.269
flat angles P-C4'-P energy: -15.217
tors. eta vs tors. theta energy: -23.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -265.046200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.046200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.046200 (E_RNA)
where:
Base-Base interactions energy: -185.729
where: short stacking energy: -73.961
Base-Backbone interact. energy: -0.273
local terms energy: -79.044535
where:
bonds (distance) C4'-P energy: -15.041
bonds (distance) P-C4' energy: -19.601
flat angles C4'-P-C4' energy: -8.779
flat angles P-C4'-P energy: -12.818
tors. eta vs tors. theta energy: -22.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -240.399417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.399417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.399417 (E_RNA)
where:
Base-Base interactions energy: -162.394
where: short stacking energy: -60.668
Base-Backbone interact. energy: -0.180
local terms energy: -77.824965
where:
bonds (distance) C4'-P energy: -9.786
bonds (distance) P-C4' energy: -18.639
flat angles C4'-P-C4' energy: -15.944
flat angles P-C4'-P energy: -13.902
tors. eta vs tors. theta energy: -19.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -106.295147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.295147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.295147 (E_RNA)
where:
Base-Base interactions energy: -42.462
where: short stacking energy: -42.462
Base-Backbone interact. energy: -0.008
local terms energy: -63.824898
where:
bonds (distance) C4'-P energy: -15.797
bonds (distance) P-C4' energy: -16.964
flat angles C4'-P-C4' energy: -13.826
flat angles P-C4'-P energy: -7.461
tors. eta vs tors. theta energy: -9.777
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: 10
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -81.305438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.305438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.305438 (E_RNA)
where:
Base-Base interactions energy: -33.536
where: short stacking energy: -25.797
Base-Backbone interact. energy: 0.083
local terms energy: -47.852251
where:
bonds (distance) C4'-P energy: -16.911
bonds (distance) P-C4' energy: -15.518
flat angles C4'-P-C4' energy: -8.548
flat angles P-C4'-P energy: -10.303
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: 10, replica: 6
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -99.324426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.324426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.324426 (E_RNA)
where:
Base-Base interactions energy: -36.460
where: short stacking energy: -32.236
Base-Backbone interact. energy: -0.390
local terms energy: -62.474245
where:
bonds (distance) C4'-P energy: -13.729
bonds (distance) P-C4' energy: -19.743
flat angles C4'-P-C4' energy: -19.294
flat angles P-C4'-P energy: -9.466
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: 1, replica: 4
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -293.705011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.705011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.705011 (E_RNA)
where:
Base-Base interactions energy: -200.352
where: short stacking energy: -78.546
Base-Backbone interact. energy: -0.103
local terms energy: -93.250084
where:
bonds (distance) C4'-P energy: -18.205
bonds (distance) P-C4' energy: -20.986
flat angles C4'-P-C4' energy: -20.527
flat angles P-C4'-P energy: -9.576
tors. eta vs tors. theta energy: -23.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -292.220240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.220240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.220240 (E_RNA)
where:
Base-Base interactions energy: -194.952
where: short stacking energy: -84.295
Base-Backbone interact. energy: -0.821
local terms energy: -96.446929
where:
bonds (distance) C4'-P energy: -16.911
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -18.392
flat angles P-C4'-P energy: -15.707
tors. eta vs tors. theta energy: -26.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -276.114788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.114788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.114788 (E_RNA)
where:
Base-Base interactions energy: -186.444
where: short stacking energy: -76.730
Base-Backbone interact. energy: -0.007
local terms energy: -89.663841
where:
bonds (distance) C4'-P energy: -15.248
bonds (distance) P-C4' energy: -17.502
flat angles C4'-P-C4' energy: -19.125
flat angles P-C4'-P energy: -11.801
tors. eta vs tors. theta energy: -25.987
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: 1
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -280.952848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.952848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.952848 (E_RNA)
where:
Base-Base interactions energy: -196.094
where: short stacking energy: -79.892
Base-Backbone interact. energy: -0.152
local terms energy: -84.706908
where:
bonds (distance) C4'-P energy: -21.200
bonds (distance) P-C4' energy: -15.571
flat angles C4'-P-C4' energy: -16.175
flat angles P-C4'-P energy: -8.594
tors. eta vs tors. theta energy: -23.167
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: 9
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -264.172871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.172871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.172871 (E_RNA)
where:
Base-Base interactions energy: -180.193
where: short stacking energy: -71.323
Base-Backbone interact. energy: -0.352
local terms energy: -83.627669
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -16.148
flat angles C4'-P-C4' energy: -14.400
flat angles P-C4'-P energy: -14.972
tors. eta vs tors. theta energy: -22.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -252.770224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.770224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.770224 (E_RNA)
where:
Base-Base interactions energy: -169.323
where: short stacking energy: -66.324
Base-Backbone interact. energy: -0.145
local terms energy: -83.301883
where:
bonds (distance) C4'-P energy: -17.119
bonds (distance) P-C4' energy: -17.206
flat angles C4'-P-C4' energy: -19.548
flat angles P-C4'-P energy: -9.686
tors. eta vs tors. theta energy: -19.743
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: 2
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -261.782973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.782973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.782973 (E_RNA)
where:
Base-Base interactions energy: -182.453
where: short stacking energy: -71.671
Base-Backbone interact. energy: -0.330
local terms energy: -79.000112
where:
bonds (distance) C4'-P energy: -15.379
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -15.552
flat angles P-C4'-P energy: -13.301
tors. eta vs tors. theta energy: -18.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -92.256176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.256176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.256176 (E_RNA)
where:
Base-Base interactions energy: -35.213
where: short stacking energy: -21.948
Base-Backbone interact. energy: -1.624
local terms energy: -55.418857
where:
bonds (distance) C4'-P energy: -19.415
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -13.782
flat angles P-C4'-P energy: -9.502
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: 7
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -90.335890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.335890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.335890 (E_RNA)
where:
Base-Base interactions energy: -37.532
where: short stacking energy: -37.372
Base-Backbone interact. energy: -0.126
local terms energy: -52.677463
where:
bonds (distance) C4'-P energy: -15.612
bonds (distance) P-C4' energy: -14.338
flat angles C4'-P-C4' energy: -8.776
flat angles P-C4'-P energy: -11.420
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: 10, replica: 6
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -101.698908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.698908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.698908 (E_RNA)
where:
Base-Base interactions energy: -53.543
where: short stacking energy: -33.641
Base-Backbone interact. energy: -0.388
local terms energy: -47.768059
where:
bonds (distance) C4'-P energy: -14.336
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -7.291
flat angles P-C4'-P energy: -9.178
tors. eta vs tors. theta energy: 0.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -299.346427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.346427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.346427 (E_RNA)
where:
Base-Base interactions energy: -198.811
where: short stacking energy: -84.027
Base-Backbone interact. energy: -0.387
local terms energy: -100.148553
where:
bonds (distance) C4'-P energy: -19.723
bonds (distance) P-C4' energy: -18.131
flat angles C4'-P-C4' energy: -20.447
flat angles P-C4'-P energy: -15.033
tors. eta vs tors. theta energy: -26.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 280
Temperature: 0.950000
Total energy: -283.404843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.404843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.404843 (E_RNA)
where:
Base-Base interactions energy: -189.592
where: short stacking energy: -70.787
Base-Backbone interact. energy: -0.151
local terms energy: -93.661269
where:
bonds (distance) C4'-P energy: -17.835
bonds (distance) P-C4' energy: -22.001
flat angles C4'-P-C4' energy: -13.533
flat angles P-C4'-P energy: -16.381
tors. eta vs tors. theta energy: -23.912
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: 1
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -283.592430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.592430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.592430 (E_RNA)
where:
Base-Base interactions energy: -191.495
where: short stacking energy: -78.883
Base-Backbone interact. energy: -0.301
local terms energy: -91.796337
where:
bonds (distance) C4'-P energy: -18.410
bonds (distance) P-C4' energy: -19.556
flat angles C4'-P-C4' energy: -15.389
flat angles P-C4'-P energy: -11.197
tors. eta vs tors. theta energy: -27.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -280.142169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.142169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.142169 (E_RNA)
where:
Base-Base interactions energy: -184.661
where: short stacking energy: -74.509
Base-Backbone interact. energy: -1.123
local terms energy: -94.357838
where:
bonds (distance) C4'-P energy: -20.749
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -21.702
flat angles P-C4'-P energy: -12.228
tors. eta vs tors. theta energy: -23.451
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: 5, replica: 9
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -270.506886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.506886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.506886 (E_RNA)
where:
Base-Base interactions energy: -187.194
where: short stacking energy: -71.535
Base-Backbone interact. energy: -0.186
local terms energy: -83.127443
where:
bonds (distance) C4'-P energy: -9.814
bonds (distance) P-C4' energy: -18.892
flat angles C4'-P-C4' energy: -18.635
flat angles P-C4'-P energy: -13.008
tors. eta vs tors. theta energy: -22.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -249.267435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.267435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.267435 (E_RNA)
where:
Base-Base interactions energy: -172.978
where: short stacking energy: -73.527
Base-Backbone interact. energy: 0.489
local terms energy: -76.779079
where:
bonds (distance) C4'-P energy: -14.086
bonds (distance) P-C4' energy: -11.297
flat angles C4'-P-C4' energy: -18.404
flat angles P-C4'-P energy: -11.202
tors. eta vs tors. theta energy: -21.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -204.241137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.241137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.241137 (E_RNA)
where:
Base-Base interactions energy: -126.568
where: short stacking energy: -51.063
Base-Backbone interact. energy: -0.002
local terms energy: -77.670735
where:
bonds (distance) C4'-P energy: -18.090
bonds (distance) P-C4' energy: -15.636
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -11.994
tors. eta vs tors. theta energy: -15.742
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: 10
=====================================
Write number: 280
Temperature: 1.250000
Total energy: -115.023428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.023428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.023428 (E_RNA)
where:
Base-Base interactions energy: -55.690
where: short stacking energy: -41.609
Base-Backbone interact. energy: -0.150
local terms energy: -59.183589
where:
bonds (distance) C4'-P energy: -18.079
bonds (distance) P-C4' energy: -18.013
flat angles C4'-P-C4' energy: -14.305
flat angles P-C4'-P energy: -5.155
tors. eta vs tors. theta energy: -3.631
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: 6
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -85.098301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.098301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.098301 (E_RNA)
where:
Base-Base interactions energy: -26.408
where: short stacking energy: -23.549
Base-Backbone interact. energy: -0.416
local terms energy: -58.274941
where:
bonds (distance) C4'-P energy: -15.278
bonds (distance) P-C4' energy: -20.193
flat angles C4'-P-C4' energy: -16.853
flat angles P-C4'-P energy: -7.900
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: 10, replica: 7
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -100.912046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.912046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.912046 (E_RNA)
where:
Base-Base interactions energy: -48.522
where: short stacking energy: -19.293
Base-Backbone interact. energy: -0.213
local terms energy: -52.177023
where:
bonds (distance) C4'-P energy: -17.648
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -9.923
flat angles P-C4'-P energy: -9.256
tors. eta vs tors. theta energy: 3.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -295.474424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.474424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.474424 (E_RNA)
where:
Base-Base interactions energy: -200.831
where: short stacking energy: -77.450
Base-Backbone interact. energy: -1.389
local terms energy: -93.254605
where:
bonds (distance) C4'-P energy: -17.868
bonds (distance) P-C4' energy: -20.963
flat angles C4'-P-C4' energy: -20.959
flat angles P-C4'-P energy: -12.547
tors. eta vs tors. theta energy: -20.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -290.807509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.807509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.807509 (E_RNA)
where:
Base-Base interactions energy: -198.731
where: short stacking energy: -80.603
Base-Backbone interact. energy: -0.254
local terms energy: -91.821682
where:
bonds (distance) C4'-P energy: -20.333
bonds (distance) P-C4' energy: -19.310
flat angles C4'-P-C4' energy: -19.814
flat angles P-C4'-P energy: -11.720
tors. eta vs tors. theta energy: -20.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -284.697093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.697093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.697093 (E_RNA)
where:
Base-Base interactions energy: -189.930
where: short stacking energy: -70.838
Base-Backbone interact. energy: -1.595
local terms energy: -93.171878
where:
bonds (distance) C4'-P energy: -18.435
bonds (distance) P-C4' energy: -15.531
flat angles C4'-P-C4' energy: -18.248
flat angles P-C4'-P energy: -14.320
tors. eta vs tors. theta energy: -26.637
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: 9
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -276.099830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.099830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.099830 (E_RNA)
where:
Base-Base interactions energy: -186.230
where: short stacking energy: -72.093
Base-Backbone interact. energy: -0.113
local terms energy: -89.756117
where:
bonds (distance) C4'-P energy: -15.114
bonds (distance) P-C4' energy: -19.447
flat angles C4'-P-C4' energy: -18.702
flat angles P-C4'-P energy: -14.193
tors. eta vs tors. theta energy: -22.300
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: 281
Temperature: 1.100000
Total energy: -267.346854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.346854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.346854 (E_RNA)
where:
Base-Base interactions energy: -174.514
where: short stacking energy: -68.545
Base-Backbone interact. energy: 2.219
local terms energy: -95.052318
where:
bonds (distance) C4'-P energy: -16.796
bonds (distance) P-C4' energy: -18.108
flat angles C4'-P-C4' energy: -19.476
flat angles P-C4'-P energy: -16.573
tors. eta vs tors. theta energy: -24.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -257.234169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.234169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.234169 (E_RNA)
where:
Base-Base interactions energy: -174.529
where: short stacking energy: -80.177
Base-Backbone interact. energy: -0.580
local terms energy: -82.125956
where:
bonds (distance) C4'-P energy: -12.191
bonds (distance) P-C4' energy: -18.670
flat angles C4'-P-C4' energy: -13.310
flat angles P-C4'-P energy: -14.725
tors. eta vs tors. theta energy: -23.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -205.875020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.875020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.875020 (E_RNA)
where:
Base-Base interactions energy: -136.991
where: short stacking energy: -56.085
Base-Backbone interact. energy: -0.157
local terms energy: -68.727296
where:
bonds (distance) C4'-P energy: -14.204
bonds (distance) P-C4' energy: -18.169
flat angles C4'-P-C4' energy: -14.253
flat angles P-C4'-P energy: -8.279
tors. eta vs tors. theta energy: -13.822
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: 6
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -98.502020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.502020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.502020 (E_RNA)
where:
Base-Base interactions energy: -35.529
where: short stacking energy: -34.865
Base-Backbone interact. energy: -0.214
local terms energy: -62.759342
where:
bonds (distance) C4'-P energy: -13.367
bonds (distance) P-C4' energy: -18.381
flat angles C4'-P-C4' energy: -13.584
flat angles P-C4'-P energy: -10.646
tors. eta vs tors. theta energy: -6.780
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: 10
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -92.173563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.173563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.173563 (E_RNA)
where:
Base-Base interactions energy: -35.805
where: short stacking energy: -35.805
Base-Backbone interact. energy: -0.021
local terms energy: -56.347339
where:
bonds (distance) C4'-P energy: -14.302
bonds (distance) P-C4' energy: -12.021
flat angles C4'-P-C4' energy: -13.683
flat angles P-C4'-P energy: -12.058
tors. eta vs tors. theta energy: -4.284
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: 7
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -80.817982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.817982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.817982 (E_RNA)
where:
Base-Base interactions energy: -27.942
where: short stacking energy: -16.333
Base-Backbone interact. energy: -0.741
local terms energy: -52.135502
where:
bonds (distance) C4'-P energy: -14.075
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -16.324
flat angles P-C4'-P energy: -10.126
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: 1, replica: 5
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -293.811081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.811081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.811081 (E_RNA)
where:
Base-Base interactions energy: -202.897
where: short stacking energy: -82.294
Base-Backbone interact. energy: -1.300
local terms energy: -89.614230
where:
bonds (distance) C4'-P energy: -16.316
bonds (distance) P-C4' energy: -16.750
flat angles C4'-P-C4' energy: -19.382
flat angles P-C4'-P energy: -13.193
tors. eta vs tors. theta energy: -23.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -288.948728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.948728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.948728 (E_RNA)
where:
Base-Base interactions energy: -198.492
where: short stacking energy: -73.890
Base-Backbone interact. energy: -0.149
local terms energy: -90.308307
where:
bonds (distance) C4'-P energy: -14.921
bonds (distance) P-C4' energy: -20.629
flat angles C4'-P-C4' energy: -17.027
flat angles P-C4'-P energy: -13.894
tors. eta vs tors. theta energy: -23.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -280.779572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.779572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.779572 (E_RNA)
where:
Base-Base interactions energy: -191.560
where: short stacking energy: -82.586
Base-Backbone interact. energy: 0.401
local terms energy: -89.620059
where:
bonds (distance) C4'-P energy: -16.278
bonds (distance) P-C4' energy: -13.558
flat angles C4'-P-C4' energy: -18.879
flat angles P-C4'-P energy: -13.900
tors. eta vs tors. theta energy: -27.005
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: 1
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -286.240355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.240355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.240355 (E_RNA)
where:
Base-Base interactions energy: -191.582
where: short stacking energy: -81.481
Base-Backbone interact. energy: -2.101
local terms energy: -92.556693
where:
bonds (distance) C4'-P energy: -17.085
bonds (distance) P-C4' energy: -16.003
flat angles C4'-P-C4' energy: -20.380
flat angles P-C4'-P energy: -14.653
tors. eta vs tors. theta energy: -24.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -273.913074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.913074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.913074 (E_RNA)
where:
Base-Base interactions energy: -195.744
where: short stacking energy: -82.160
Base-Backbone interact. energy: -0.271
local terms energy: -77.898301
where:
bonds (distance) C4'-P energy: -14.402
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -16.109
flat angles P-C4'-P energy: -10.319
tors. eta vs tors. theta energy: -22.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -255.594261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.594261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.594261 (E_RNA)
where:
Base-Base interactions energy: -168.444
where: short stacking energy: -64.240
Base-Backbone interact. energy: -0.717
local terms energy: -86.433446
where:
bonds (distance) C4'-P energy: -19.404
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -13.835
flat angles P-C4'-P energy: -16.000
tors. eta vs tors. theta energy: -21.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -262.147811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.147811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.147811 (E_RNA)
where:
Base-Base interactions energy: -186.738
where: short stacking energy: -76.431
Base-Backbone interact. energy: -1.617
local terms energy: -73.792668
where:
bonds (distance) C4'-P energy: -14.175
bonds (distance) P-C4' energy: -6.839
flat angles C4'-P-C4' energy: -19.172
flat angles P-C4'-P energy: -12.369
tors. eta vs tors. theta energy: -21.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -106.684625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.684625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.684625 (E_RNA)
where:
Base-Base interactions energy: -41.237
where: short stacking energy: -41.237
Base-Backbone interact. energy: -0.051
local terms energy: -65.396186
where:
bonds (distance) C4'-P energy: -17.914
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -17.124
flat angles P-C4'-P energy: -5.178
tors. eta vs tors. theta energy: -7.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -100.290238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.290238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.290238 (E_RNA)
where:
Base-Base interactions energy: -35.308
where: short stacking energy: -34.675
Base-Backbone interact. energy: -0.281
local terms energy: -64.700915
where:
bonds (distance) C4'-P energy: -16.290
bonds (distance) P-C4' energy: -17.435
flat angles C4'-P-C4' energy: -17.557
flat angles P-C4'-P energy: -13.406
tors. eta vs tors. theta energy: -0.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -121.713566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.713566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.713566 (E_RNA)
where:
Base-Base interactions energy: -55.860
where: short stacking energy: -26.279
Base-Backbone interact. energy: -0.080
local terms energy: -65.773702
where:
bonds (distance) C4'-P energy: -15.487
bonds (distance) P-C4' energy: -20.123
flat angles C4'-P-C4' energy: -13.091
flat angles P-C4'-P energy: -12.595
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: 1, replica: 5
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -286.877151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.877151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.877151 (E_RNA)
where:
Base-Base interactions energy: -196.892
where: short stacking energy: -80.888
Base-Backbone interact. energy: -0.028
local terms energy: -89.956677
where:
bonds (distance) C4'-P energy: -18.120
bonds (distance) P-C4' energy: -18.607
flat angles C4'-P-C4' energy: -16.014
flat angles P-C4'-P energy: -12.639
tors. eta vs tors. theta energy: -24.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -293.885423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.885423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.885423 (E_RNA)
where:
Base-Base interactions energy: -195.477
where: short stacking energy: -78.471
Base-Backbone interact. energy: -0.676
local terms energy: -97.732986
where:
bonds (distance) C4'-P energy: -17.475
bonds (distance) P-C4' energy: -20.626
flat angles C4'-P-C4' energy: -18.286
flat angles P-C4'-P energy: -16.816
tors. eta vs tors. theta energy: -24.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -293.366691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.366691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.366691 (E_RNA)
where:
Base-Base interactions energy: -200.403
where: short stacking energy: -80.426
Base-Backbone interact. energy: -0.235
local terms energy: -92.727970
where:
bonds (distance) C4'-P energy: -15.852
bonds (distance) P-C4' energy: -20.135
flat angles C4'-P-C4' energy: -18.721
flat angles P-C4'-P energy: -16.741
tors. eta vs tors. theta energy: -21.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -282.513522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.513522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.513522 (E_RNA)
where:
Base-Base interactions energy: -185.796
where: short stacking energy: -79.867
Base-Backbone interact. energy: -1.010
local terms energy: -95.707072
where:
bonds (distance) C4'-P energy: -13.365
bonds (distance) P-C4' energy: -20.486
flat angles C4'-P-C4' energy: -20.201
flat angles P-C4'-P energy: -16.173
tors. eta vs tors. theta energy: -25.481
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: 8
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -268.831320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.831320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.831320 (E_RNA)
where:
Base-Base interactions energy: -189.483
where: short stacking energy: -75.359
Base-Backbone interact. energy: -0.020
local terms energy: -79.328065
where:
bonds (distance) C4'-P energy: -12.950
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -18.249
flat angles P-C4'-P energy: -8.949
tors. eta vs tors. theta energy: -23.153
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: 6, replica: 2
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -264.880824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.880824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.880824 (E_RNA)
where:
Base-Base interactions energy: -183.503
where: short stacking energy: -79.059
Base-Backbone interact. energy: -1.619
local terms energy: -79.758890
where:
bonds (distance) C4'-P energy: -13.459
bonds (distance) P-C4' energy: -14.154
flat angles C4'-P-C4' energy: -17.206
flat angles P-C4'-P energy: -11.016
tors. eta vs tors. theta energy: -23.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -245.542995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.542995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.542995 (E_RNA)
where:
Base-Base interactions energy: -175.638
where: short stacking energy: -65.474
Base-Backbone interact. energy: -0.058
local terms energy: -69.846492
where:
bonds (distance) C4'-P energy: -12.808
bonds (distance) P-C4' energy: -7.594
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -23.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -93.818769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.818769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.818769 (E_RNA)
where:
Base-Base interactions energy: -30.829
where: short stacking energy: -29.590
Base-Backbone interact. energy: -0.919
local terms energy: -62.070902
where:
bonds (distance) C4'-P energy: -14.908
bonds (distance) P-C4' energy: -16.937
flat angles C4'-P-C4' energy: -10.967
flat angles P-C4'-P energy: -13.876
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: 9, replica: 6
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -91.558156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.558156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.558156 (E_RNA)
where:
Base-Base interactions energy: -35.256
where: short stacking energy: -27.292
Base-Backbone interact. energy: -0.259
local terms energy: -56.043061
where:
bonds (distance) C4'-P energy: -16.228
bonds (distance) P-C4' energy: -15.949
flat angles C4'-P-C4' energy: -11.100
flat angles P-C4'-P energy: -10.011
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: 10, replica: 7
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -83.636543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.636543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.636543 (E_RNA)
where:
Base-Base interactions energy: -38.022
where: short stacking energy: -25.841
Base-Backbone interact. energy: -0.299
local terms energy: -45.314876
where:
bonds (distance) C4'-P energy: -15.980
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -13.922
flat angles P-C4'-P energy: -4.818
tors. eta vs tors. theta energy: 3.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -290.762661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.762661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.762661 (E_RNA)
where:
Base-Base interactions energy: -199.231
where: short stacking energy: -86.071
Base-Backbone interact. energy: -0.048
local terms energy: -91.484059
where:
bonds (distance) C4'-P energy: -15.574
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -20.365
flat angles P-C4'-P energy: -12.334
tors. eta vs tors. theta energy: -26.188
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: 5
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -291.957990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.957990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.957990 (E_RNA)
where:
Base-Base interactions energy: -191.395
where: short stacking energy: -78.410
Base-Backbone interact. energy: -0.288
local terms energy: -100.274608
where:
bonds (distance) C4'-P energy: -19.243
bonds (distance) P-C4' energy: -19.154
flat angles C4'-P-C4' energy: -19.519
flat angles P-C4'-P energy: -14.391
tors. eta vs tors. theta energy: -27.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -291.271639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.271639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.271639 (E_RNA)
where:
Base-Base interactions energy: -204.205
where: short stacking energy: -78.038
Base-Backbone interact. energy: -0.183
local terms energy: -86.883001
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -14.968
flat angles C4'-P-C4' energy: -20.580
flat angles P-C4'-P energy: -12.549
tors. eta vs tors. theta energy: -21.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -279.088311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.088311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.088311 (E_RNA)
where:
Base-Base interactions energy: -184.099
where: short stacking energy: -74.489
Base-Backbone interact. energy: -0.208
local terms energy: -94.780874
where:
bonds (distance) C4'-P energy: -18.103
bonds (distance) P-C4' energy: -18.301
flat angles C4'-P-C4' energy: -22.432
flat angles P-C4'-P energy: -12.367
tors. eta vs tors. theta energy: -23.579
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -258.785593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.785593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.785593 (E_RNA)
where:
Base-Base interactions energy: -176.300
where: short stacking energy: -69.583
Base-Backbone interact. energy: -0.068
local terms energy: -82.418126
where:
bonds (distance) C4'-P energy: -12.970
bonds (distance) P-C4' energy: -17.958
flat angles C4'-P-C4' energy: -15.282
flat angles P-C4'-P energy: -14.451
tors. eta vs tors. theta energy: -21.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -258.079361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.079361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.079361 (E_RNA)
where:
Base-Base interactions energy: -178.756
where: short stacking energy: -68.835
Base-Backbone interact. energy: -0.219
local terms energy: -79.104583
where:
bonds (distance) C4'-P energy: -14.141
bonds (distance) P-C4' energy: -13.194
flat angles C4'-P-C4' energy: -18.433
flat angles P-C4'-P energy: -9.996
tors. eta vs tors. theta energy: -23.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -250.974481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.974481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.974481 (E_RNA)
where:
Base-Base interactions energy: -169.979
where: short stacking energy: -72.226
Base-Backbone interact. energy: -0.296
local terms energy: -80.699592
where:
bonds (distance) C4'-P energy: -15.764
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -15.262
flat angles P-C4'-P energy: -16.286
tors. eta vs tors. theta energy: -19.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -108.998314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.998314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.998314 (E_RNA)
where:
Base-Base interactions energy: -44.541
where: short stacking energy: -34.442
Base-Backbone interact. energy: -0.166
local terms energy: -64.291586
where:
bonds (distance) C4'-P energy: -19.216
bonds (distance) P-C4' energy: -16.002
flat angles C4'-P-C4' energy: -11.053
flat angles P-C4'-P energy: -12.062
tors. eta vs tors. theta energy: -5.959
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: 6
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -96.394662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.394662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.394662 (E_RNA)
where:
Base-Base interactions energy: -39.362
where: short stacking energy: -37.453
Base-Backbone interact. energy: 2.266
local terms energy: -59.298550
where:
bonds (distance) C4'-P energy: -12.615
bonds (distance) P-C4' energy: -15.727
flat angles C4'-P-C4' energy: -10.370
flat angles P-C4'-P energy: -9.920
tors. eta vs tors. theta energy: -10.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -92.510450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.510450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.510450 (E_RNA)
where:
Base-Base interactions energy: -32.532
where: short stacking energy: -32.427
Base-Backbone interact. energy: -0.509
local terms energy: -59.469328
where:
bonds (distance) C4'-P energy: -17.592
bonds (distance) P-C4' energy: -17.029
flat angles C4'-P-C4' energy: -11.489
flat angles P-C4'-P energy: -7.314
tors. eta vs tors. theta energy: -6.046
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: 1, replica: 9
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -298.252943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.252943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.252943 (E_RNA)
where:
Base-Base interactions energy: -195.091
where: short stacking energy: -82.351
Base-Backbone interact. energy: -0.002
local terms energy: -103.159454
where:
bonds (distance) C4'-P energy: -19.541
bonds (distance) P-C4' energy: -20.920
flat angles C4'-P-C4' energy: -20.149
flat angles P-C4'-P energy: -15.177
tors. eta vs tors. theta energy: -27.372
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: 4
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -292.159864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.159864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.159864 (E_RNA)
where:
Base-Base interactions energy: -194.429
where: short stacking energy: -83.253
Base-Backbone interact. energy: -0.048
local terms energy: -97.682187
where:
bonds (distance) C4'-P energy: -19.491
bonds (distance) P-C4' energy: -15.107
flat angles C4'-P-C4' energy: -21.028
flat angles P-C4'-P energy: -15.178
tors. eta vs tors. theta energy: -26.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 285
Temperature: 1.000000
Total energy: -282.943051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.943051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.943051 (E_RNA)
where:
Base-Base interactions energy: -192.565
where: short stacking energy: -80.104
Base-Backbone interact. energy: -0.222
local terms energy: -90.155642
where:
bonds (distance) C4'-P energy: -16.432
bonds (distance) P-C4' energy: -19.647
flat angles C4'-P-C4' energy: -21.492
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -23.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -276.923865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.923865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.923865 (E_RNA)
where:
Base-Base interactions energy: -190.498
where: short stacking energy: -74.243
Base-Backbone interact. energy: -0.401
local terms energy: -86.024637
where:
bonds (distance) C4'-P energy: -19.615
bonds (distance) P-C4' energy: -13.102
flat angles C4'-P-C4' energy: -16.701
flat angles P-C4'-P energy: -12.764
tors. eta vs tors. theta energy: -23.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -279.144738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.144738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.144738 (E_RNA)
where:
Base-Base interactions energy: -189.596
where: short stacking energy: -78.268
Base-Backbone interact. energy: 0.333
local terms energy: -89.882158
where:
bonds (distance) C4'-P energy: -14.610
bonds (distance) P-C4' energy: -12.003
flat angles C4'-P-C4' energy: -23.108
flat angles P-C4'-P energy: -16.091
tors. eta vs tors. theta energy: -24.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -263.706827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.706827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.706827 (E_RNA)
where:
Base-Base interactions energy: -185.426
where: short stacking energy: -65.545
Base-Backbone interact. energy: 0.391
local terms energy: -78.672168
where:
bonds (distance) C4'-P energy: -11.723
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -18.250
flat angles P-C4'-P energy: -10.020
tors. eta vs tors. theta energy: -22.766
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: 8
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -261.698798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.698798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.698798 (E_RNA)
where:
Base-Base interactions energy: -179.265
where: short stacking energy: -69.786
Base-Backbone interact. energy: 0.699
local terms energy: -83.132337
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -13.732
flat angles C4'-P-C4' energy: -16.296
flat angles P-C4'-P energy: -11.981
tors. eta vs tors. theta energy: -26.853
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: 8, replica: 6
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -109.941840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.941840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.941840 (E_RNA)
where:
Base-Base interactions energy: -62.991
where: short stacking energy: -29.936
Base-Backbone interact. energy: -0.455
local terms energy: -46.495770
where:
bonds (distance) C4'-P energy: -18.696
bonds (distance) P-C4' energy: -14.772
flat angles C4'-P-C4' energy: -9.749
flat angles P-C4'-P energy: -8.707
tors. eta vs tors. theta energy: 5.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -93.180578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.180578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.180578 (E_RNA)
where:
Base-Base interactions energy: -41.327
where: short stacking energy: -41.327
Base-Backbone interact. energy: -0.288
local terms energy: -51.566004
where:
bonds (distance) C4'-P energy: -9.171
bonds (distance) P-C4' energy: -16.189
flat angles C4'-P-C4' energy: -14.340
flat angles P-C4'-P energy: -10.785
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: 7
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -84.781910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.781910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.781910 (E_RNA)
where:
Base-Base interactions energy: -26.848
where: short stacking energy: -26.439
Base-Backbone interact. energy: 0.387
local terms energy: -58.320490
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -15.831
flat angles C4'-P-C4' energy: -13.881
flat angles P-C4'-P energy: -10.427
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: 9
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -298.642231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.642231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.642231 (E_RNA)
where:
Base-Base interactions energy: -206.864
where: short stacking energy: -87.502
Base-Backbone interact. energy: -0.005
local terms energy: -91.772943
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -18.062
flat angles C4'-P-C4' energy: -19.308
flat angles P-C4'-P energy: -10.746
tors. eta vs tors. theta energy: -28.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -293.177434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.177434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.177434 (E_RNA)
where:
Base-Base interactions energy: -199.691
where: short stacking energy: -86.328
Base-Backbone interact. energy: -0.003
local terms energy: -93.483269
where:
bonds (distance) C4'-P energy: -18.163
bonds (distance) P-C4' energy: -19.200
flat angles C4'-P-C4' energy: -21.111
flat angles P-C4'-P energy: -10.937
tors. eta vs tors. theta energy: -24.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -287.150155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.150155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.150155 (E_RNA)
where:
Base-Base interactions energy: -198.795
where: short stacking energy: -77.185
Base-Backbone interact. energy: -0.005
local terms energy: -88.350955
where:
bonds (distance) C4'-P energy: -16.245
bonds (distance) P-C4' energy: -18.564
flat angles C4'-P-C4' energy: -18.427
flat angles P-C4'-P energy: -11.967
tors. eta vs tors. theta energy: -23.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -282.563444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.563444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.563444 (E_RNA)
where:
Base-Base interactions energy: -192.355
where: short stacking energy: -76.365
Base-Backbone interact. energy: -0.031
local terms energy: -90.176944
where:
bonds (distance) C4'-P energy: -18.799
bonds (distance) P-C4' energy: -20.178
flat angles C4'-P-C4' energy: -18.243
flat angles P-C4'-P energy: -7.896
tors. eta vs tors. theta energy: -25.061
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: 3
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -277.988081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.988081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.988081 (E_RNA)
where:
Base-Base interactions energy: -193.438
where: short stacking energy: -72.336
Base-Backbone interact. energy: -0.251
local terms energy: -84.299438
where:
bonds (distance) C4'-P energy: -14.365
bonds (distance) P-C4' energy: -18.009
flat angles C4'-P-C4' energy: -19.535
flat angles P-C4'-P energy: -12.127
tors. eta vs tors. theta energy: -20.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -269.332061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.332061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.332061 (E_RNA)
where:
Base-Base interactions energy: -190.797
where: short stacking energy: -75.735
Base-Backbone interact. energy: 0.059
local terms energy: -78.594245
where:
bonds (distance) C4'-P energy: -11.778
bonds (distance) P-C4' energy: -17.493
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -13.380
tors. eta vs tors. theta energy: -20.246
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -248.048933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.048933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.048933 (E_RNA)
where:
Base-Base interactions energy: -177.903
where: short stacking energy: -66.312
Base-Backbone interact. energy: 0.773
local terms energy: -70.919701
where:
bonds (distance) C4'-P energy: -15.149
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -17.645
flat angles P-C4'-P energy: -5.193
tors. eta vs tors. theta energy: -16.544
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: 6
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -103.479489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.479489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.479489 (E_RNA)
where:
Base-Base interactions energy: -42.651
where: short stacking energy: -32.012
Base-Backbone interact. energy: -0.888
local terms energy: -59.940191
where:
bonds (distance) C4'-P energy: -15.412
bonds (distance) P-C4' energy: -18.620
flat angles C4'-P-C4' energy: -20.118
flat angles P-C4'-P energy: -8.689
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: 9, replica: 7
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -106.323093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.323093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.323093 (E_RNA)
where:
Base-Base interactions energy: -40.464
where: short stacking energy: -24.148
Base-Backbone interact. energy: -0.204
local terms energy: -65.654997
where:
bonds (distance) C4'-P energy: -15.126
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -12.490
flat angles P-C4'-P energy: -10.353
tors. eta vs tors. theta energy: -12.284
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: 10
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -85.910879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.910879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.910879 (E_RNA)
where:
Base-Base interactions energy: -24.246
where: short stacking energy: -20.054
Base-Backbone interact. energy: 1.487
local terms energy: -63.151916
where:
bonds (distance) C4'-P energy: -12.374
bonds (distance) P-C4' energy: -18.969
flat angles C4'-P-C4' energy: -12.873
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: -7.338
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: 9
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -290.379923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.379923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.379923 (E_RNA)
where:
Base-Base interactions energy: -193.771
where: short stacking energy: -81.797
Base-Backbone interact. energy: -0.291
local terms energy: -96.317822
where:
bonds (distance) C4'-P energy: -17.595
bonds (distance) P-C4' energy: -17.120
flat angles C4'-P-C4' energy: -22.235
flat angles P-C4'-P energy: -13.687
tors. eta vs tors. theta energy: -25.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -287.643339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.643339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.643339 (E_RNA)
where:
Base-Base interactions energy: -190.290
where: short stacking energy: -80.689
Base-Backbone interact. energy: 1.569
local terms energy: -98.922344
where:
bonds (distance) C4'-P energy: -16.351
bonds (distance) P-C4' energy: -20.905
flat angles C4'-P-C4' energy: -20.937
flat angles P-C4'-P energy: -13.945
tors. eta vs tors. theta energy: -26.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -274.409230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.409230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.409230 (E_RNA)
where:
Base-Base interactions energy: -185.095
where: short stacking energy: -78.058
Base-Backbone interact. energy: -1.221
local terms energy: -88.092455
where:
bonds (distance) C4'-P energy: -15.164
bonds (distance) P-C4' energy: -22.356
flat angles C4'-P-C4' energy: -20.449
flat angles P-C4'-P energy: -6.732
tors. eta vs tors. theta energy: -23.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -270.233269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.233269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.233269 (E_RNA)
where:
Base-Base interactions energy: -191.125
where: short stacking energy: -75.949
Base-Backbone interact. energy: -0.201
local terms energy: -78.906440
where:
bonds (distance) C4'-P energy: -14.124
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -18.155
flat angles P-C4'-P energy: -13.257
tors. eta vs tors. theta energy: -16.005
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: 1
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -274.129521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.129521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.129521 (E_RNA)
where:
Base-Base interactions energy: -186.625
where: short stacking energy: -78.663
Base-Backbone interact. energy: -1.325
local terms energy: -86.178823
where:
bonds (distance) C4'-P energy: -15.193
bonds (distance) P-C4' energy: -15.295
flat angles C4'-P-C4' energy: -15.351
flat angles P-C4'-P energy: -14.025
tors. eta vs tors. theta energy: -26.315
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: 8
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -262.488071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.488071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.488071 (E_RNA)
where:
Base-Base interactions energy: -175.061
where: short stacking energy: -74.872
Base-Backbone interact. energy: -0.306
local terms energy: -87.120819
where:
bonds (distance) C4'-P energy: -15.322
bonds (distance) P-C4' energy: -14.581
flat angles C4'-P-C4' energy: -16.769
flat angles P-C4'-P energy: -13.894
tors. eta vs tors. theta energy: -26.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -243.638262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.638262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.638262 (E_RNA)
where:
Base-Base interactions energy: -157.662
where: short stacking energy: -64.711
Base-Backbone interact. energy: -0.622
local terms energy: -85.354596
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -21.610
flat angles C4'-P-C4' energy: -19.300
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: -20.675
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: 6
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -133.781978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.781978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.781978 (E_RNA)
where:
Base-Base interactions energy: -67.119
where: short stacking energy: -39.271
Base-Backbone interact. energy: -0.245
local terms energy: -66.417961
where:
bonds (distance) C4'-P energy: -19.473
bonds (distance) P-C4' energy: -13.286
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -11.713
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: 9, replica: 7
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -103.643928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.643928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.643928 (E_RNA)
where:
Base-Base interactions energy: -48.050
where: short stacking energy: -29.151
Base-Backbone interact. energy: -0.305
local terms energy: -55.288611
where:
bonds (distance) C4'-P energy: -17.407
bonds (distance) P-C4' energy: -19.371
flat angles C4'-P-C4' energy: -3.844
flat angles P-C4'-P energy: -12.016
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: 10, replica: 10
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -93.490142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.490142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.490142 (E_RNA)
where:
Base-Base interactions energy: -40.055
where: short stacking energy: -28.122
Base-Backbone interact. energy: 0.664
local terms energy: -54.099452
where:
bonds (distance) C4'-P energy: -11.712
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -14.520
flat angles P-C4'-P energy: -2.350
tors. eta vs tors. theta energy: -8.962
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: 9
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -291.886245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.886245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.886245 (E_RNA)
where:
Base-Base interactions energy: -191.833
where: short stacking energy: -79.287
Base-Backbone interact. energy: -1.349
local terms energy: -98.703844
where:
bonds (distance) C4'-P energy: -17.085
bonds (distance) P-C4' energy: -19.838
flat angles C4'-P-C4' energy: -20.563
flat angles P-C4'-P energy: -17.272
tors. eta vs tors. theta energy: -23.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -283.653873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.653873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.653873 (E_RNA)
where:
Base-Base interactions energy: -195.694
where: short stacking energy: -80.381
Base-Backbone interact. energy: -0.151
local terms energy: -87.808259
where:
bonds (distance) C4'-P energy: -16.770
bonds (distance) P-C4' energy: -19.881
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -13.345
tors. eta vs tors. theta energy: -21.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -282.463477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.463477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.463477 (E_RNA)
where:
Base-Base interactions energy: -189.770
where: short stacking energy: -81.457
Base-Backbone interact. energy: -0.793
local terms energy: -91.901120
where:
bonds (distance) C4'-P energy: -16.278
bonds (distance) P-C4' energy: -20.101
flat angles C4'-P-C4' energy: -17.519
flat angles P-C4'-P energy: -11.814
tors. eta vs tors. theta energy: -26.190
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: 4
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -279.878057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.878057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.878057 (E_RNA)
where:
Base-Base interactions energy: -196.125
where: short stacking energy: -72.760
Base-Backbone interact. energy: -1.242
local terms energy: -82.510845
where:
bonds (distance) C4'-P energy: -17.333
bonds (distance) P-C4' energy: -15.282
flat angles C4'-P-C4' energy: -20.244
flat angles P-C4'-P energy: -9.681
tors. eta vs tors. theta energy: -19.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -268.370165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.370165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.370165 (E_RNA)
where:
Base-Base interactions energy: -188.789
where: short stacking energy: -75.684
Base-Backbone interact. energy: -0.151
local terms energy: -79.430071
where:
bonds (distance) C4'-P energy: -13.129
bonds (distance) P-C4' energy: -18.072
flat angles C4'-P-C4' energy: -16.199
flat angles P-C4'-P energy: -9.825
tors. eta vs tors. theta energy: -22.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -263.685668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.685668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.685668 (E_RNA)
where:
Base-Base interactions energy: -181.458
where: short stacking energy: -74.658
Base-Backbone interact. energy: -0.823
local terms energy: -81.405155
where:
bonds (distance) C4'-P energy: -16.207
bonds (distance) P-C4' energy: -19.443
flat angles C4'-P-C4' energy: -15.208
flat angles P-C4'-P energy: -11.956
tors. eta vs tors. theta energy: -18.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 288
Temperature: 1.200000
Total energy: -272.006595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.006595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.006595 (E_RNA)
where:
Base-Base interactions energy: -183.953
where: short stacking energy: -75.302
Base-Backbone interact. energy: -0.297
local terms energy: -87.756086
where:
bonds (distance) C4'-P energy: -10.880
bonds (distance) P-C4' energy: -20.700
flat angles C4'-P-C4' energy: -17.735
flat angles P-C4'-P energy: -11.288
tors. eta vs tors. theta energy: -27.153
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: 6
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -112.034770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.034770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.034770 (E_RNA)
where:
Base-Base interactions energy: -42.472
where: short stacking energy: -30.091
Base-Backbone interact. energy: -0.208
local terms energy: -69.354850
where:
bonds (distance) C4'-P energy: -17.358
bonds (distance) P-C4' energy: -17.025
flat angles C4'-P-C4' energy: -18.177
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -6.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -142.817802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.817802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.817802 (E_RNA)
where:
Base-Base interactions energy: -86.616
where: short stacking energy: -33.236
Base-Backbone interact. energy: -0.263
local terms energy: -55.938092
where:
bonds (distance) C4'-P energy: -8.694
bonds (distance) P-C4' energy: -18.660
flat angles C4'-P-C4' energy: -16.716
flat angles P-C4'-P energy: -5.863
tors. eta vs tors. theta energy: -6.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -83.833680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.833680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.833680 (E_RNA)
where:
Base-Base interactions energy: -26.817
where: short stacking energy: -25.974
Base-Backbone interact. energy: -0.157
local terms energy: -56.859872
where:
bonds (distance) C4'-P energy: -15.729
bonds (distance) P-C4' energy: -18.591
flat angles C4'-P-C4' energy: -12.653
flat angles P-C4'-P energy: -10.769
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: 9
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -292.058075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.058075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.058075 (E_RNA)
where:
Base-Base interactions energy: -203.359
where: short stacking energy: -82.180
Base-Backbone interact. energy: -0.058
local terms energy: -88.641954
where:
bonds (distance) C4'-P energy: -20.181
bonds (distance) P-C4' energy: -17.980
flat angles C4'-P-C4' energy: -14.926
flat angles P-C4'-P energy: -11.997
tors. eta vs tors. theta energy: -23.558
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: 3
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -289.773171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.773171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.773171 (E_RNA)
where:
Base-Base interactions energy: -196.033
where: short stacking energy: -82.808
Base-Backbone interact. energy: -0.104
local terms energy: -93.635239
where:
bonds (distance) C4'-P energy: -18.316
bonds (distance) P-C4' energy: -18.627
flat angles C4'-P-C4' energy: -18.929
flat angles P-C4'-P energy: -12.948
tors. eta vs tors. theta energy: -24.815
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: 289
Temperature: 1.000000
Total energy: -289.324514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.324514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.324514 (E_RNA)
where:
Base-Base interactions energy: -191.297
where: short stacking energy: -77.392
Base-Backbone interact. energy: -0.889
local terms energy: -97.138022
where:
bonds (distance) C4'-P energy: -20.497
bonds (distance) P-C4' energy: -19.548
flat angles C4'-P-C4' energy: -21.632
flat angles P-C4'-P energy: -11.950
tors. eta vs tors. theta energy: -23.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -289.250559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.250559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.250559 (E_RNA)
where:
Base-Base interactions energy: -197.716
where: short stacking energy: -75.467
Base-Backbone interact. energy: -0.805
local terms energy: -90.729997
where:
bonds (distance) C4'-P energy: -16.945
bonds (distance) P-C4' energy: -19.503
flat angles C4'-P-C4' energy: -19.787
flat angles P-C4'-P energy: -15.076
tors. eta vs tors. theta energy: -19.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -268.940244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.940244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.940244 (E_RNA)
where:
Base-Base interactions energy: -174.814
where: short stacking energy: -76.828
Base-Backbone interact. energy: 3.454
local terms energy: -97.580338
where:
bonds (distance) C4'-P energy: -19.291
bonds (distance) P-C4' energy: -20.363
flat angles C4'-P-C4' energy: -19.142
flat angles P-C4'-P energy: -12.888
tors. eta vs tors. theta energy: -25.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -267.903133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.903133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.903133 (E_RNA)
where:
Base-Base interactions energy: -185.012
where: short stacking energy: -68.495
Base-Backbone interact. energy: -0.159
local terms energy: -82.732541
where:
bonds (distance) C4'-P energy: -16.977
bonds (distance) P-C4' energy: -18.290
flat angles C4'-P-C4' energy: -19.391
flat angles P-C4'-P energy: -7.062
tors. eta vs tors. theta energy: -21.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -265.863958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.863958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.863958 (E_RNA)
where:
Base-Base interactions energy: -184.039
where: short stacking energy: -72.868
Base-Backbone interact. energy: -0.885
local terms energy: -80.939598
where:
bonds (distance) C4'-P energy: -14.684
bonds (distance) P-C4' energy: -16.197
flat angles C4'-P-C4' energy: -18.758
flat angles P-C4'-P energy: -11.560
tors. eta vs tors. theta energy: -19.740
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: 7
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -155.213667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.213667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.213667 (E_RNA)
where:
Base-Base interactions energy: -91.982
where: short stacking energy: -43.365
Base-Backbone interact. energy: -0.210
local terms energy: -63.021850
where:
bonds (distance) C4'-P energy: -13.578
bonds (distance) P-C4' energy: -14.064
flat angles C4'-P-C4' energy: -20.578
flat angles P-C4'-P energy: -9.496
tors. eta vs tors. theta energy: -5.306
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: 6
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -97.601058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.601058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.601058 (E_RNA)
where:
Base-Base interactions energy: -28.926
where: short stacking energy: -28.926
Base-Backbone interact. energy: -0.246
local terms energy: -68.428885
where:
bonds (distance) C4'-P energy: -19.189
bonds (distance) P-C4' energy: -15.313
flat angles C4'-P-C4' energy: -18.771
flat angles P-C4'-P energy: -15.126
tors. eta vs tors. theta energy: -0.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -107.164607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.164607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.164607 (E_RNA)
where:
Base-Base interactions energy: -60.919
where: short stacking energy: -28.024
Base-Backbone interact. energy: 0.691
local terms energy: -46.936557
where:
bonds (distance) C4'-P energy: -7.054
bonds (distance) P-C4' energy: -14.119
flat angles C4'-P-C4' energy: -11.125
flat angles P-C4'-P energy: -11.114
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: 1, replica: 3
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -291.332719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.332719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.332719 (E_RNA)
where:
Base-Base interactions energy: -197.105
where: short stacking energy: -84.638
Base-Backbone interact. energy: -0.454
local terms energy: -93.774144
where:
bonds (distance) C4'-P energy: -14.179
bonds (distance) P-C4' energy: -17.698
flat angles C4'-P-C4' energy: -20.472
flat angles P-C4'-P energy: -13.912
tors. eta vs tors. theta energy: -27.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -290.513747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.513747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.513747 (E_RNA)
where:
Base-Base interactions energy: -201.562
where: short stacking energy: -80.473
Base-Backbone interact. energy: -0.086
local terms energy: -88.866279
where:
bonds (distance) C4'-P energy: -13.387
bonds (distance) P-C4' energy: -19.837
flat angles C4'-P-C4' energy: -20.193
flat angles P-C4'-P energy: -12.336
tors. eta vs tors. theta energy: -23.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -291.541751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.541751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.541751 (E_RNA)
where:
Base-Base interactions energy: -197.009
where: short stacking energy: -77.769
Base-Backbone interact. energy: -0.087
local terms energy: -94.445505
where:
bonds (distance) C4'-P energy: -19.334
bonds (distance) P-C4' energy: -20.877
flat angles C4'-P-C4' energy: -17.289
flat angles P-C4'-P energy: -12.475
tors. eta vs tors. theta energy: -24.470
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: 5
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -277.540417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.540417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.540417 (E_RNA)
where:
Base-Base interactions energy: -186.903
where: short stacking energy: -71.153
Base-Backbone interact. energy: -0.630
local terms energy: -90.007469
where:
bonds (distance) C4'-P energy: -18.319
bonds (distance) P-C4' energy: -17.243
flat angles C4'-P-C4' energy: -19.162
flat angles P-C4'-P energy: -12.306
tors. eta vs tors. theta energy: -22.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -278.058311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.058311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.058311 (E_RNA)
where:
Base-Base interactions energy: -195.482
where: short stacking energy: -77.330
Base-Backbone interact. energy: -0.162
local terms energy: -82.414158
where:
bonds (distance) C4'-P energy: -10.354
bonds (distance) P-C4' energy: -17.067
flat angles C4'-P-C4' energy: -18.936
flat angles P-C4'-P energy: -12.125
tors. eta vs tors. theta energy: -23.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -242.538412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.538412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.538412 (E_RNA)
where:
Base-Base interactions energy: -156.884
where: short stacking energy: -64.562
Base-Backbone interact. energy: -0.182
local terms energy: -85.472972
where:
bonds (distance) C4'-P energy: -19.118
bonds (distance) P-C4' energy: -11.330
flat angles C4'-P-C4' energy: -20.420
flat angles P-C4'-P energy: -13.558
tors. eta vs tors. theta energy: -21.046
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: 8
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -252.616568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.616568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.616568 (E_RNA)
where:
Base-Base interactions energy: -168.660
where: short stacking energy: -68.091
Base-Backbone interact. energy: -0.026
local terms energy: -83.930718
where:
bonds (distance) C4'-P energy: -13.687
bonds (distance) P-C4' energy: -18.090
flat angles C4'-P-C4' energy: -19.186
flat angles P-C4'-P energy: -9.413
tors. eta vs tors. theta energy: -23.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -183.417638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.417638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.417638 (E_RNA)
where:
Base-Base interactions energy: -118.554
where: short stacking energy: -49.451
Base-Backbone interact. energy: -0.182
local terms energy: -64.681437
where:
bonds (distance) C4'-P energy: -12.462
bonds (distance) P-C4' energy: -17.625
flat angles C4'-P-C4' energy: -13.395
flat angles P-C4'-P energy: -9.650
tors. eta vs tors. theta energy: -11.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -93.871700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.871700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.871700 (E_RNA)
where:
Base-Base interactions energy: -31.605
where: short stacking energy: -25.478
Base-Backbone interact. energy: -0.163
local terms energy: -62.104635
where:
bonds (distance) C4'-P energy: -18.208
bonds (distance) P-C4' energy: -19.030
flat angles C4'-P-C4' energy: -18.056
flat angles P-C4'-P energy: -7.696
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: 6
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -88.965859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.965859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.965859 (E_RNA)
where:
Base-Base interactions energy: -27.423
where: short stacking energy: -24.801
Base-Backbone interact. energy: -0.120
local terms energy: -61.422883
where:
bonds (distance) C4'-P energy: -15.230
bonds (distance) P-C4' energy: -19.386
flat angles C4'-P-C4' energy: -7.952
flat angles P-C4'-P energy: -13.170
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: 1, replica: 3
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -291.301821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.301821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.301821 (E_RNA)
where:
Base-Base interactions energy: -195.385
where: short stacking energy: -82.560
Base-Backbone interact. energy: -0.006
local terms energy: -95.910110
where:
bonds (distance) C4'-P energy: -17.475
bonds (distance) P-C4' energy: -19.688
flat angles C4'-P-C4' energy: -21.151
flat angles P-C4'-P energy: -10.094
tors. eta vs tors. theta energy: -27.501
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: 4
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -298.660794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.660794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.660794 (E_RNA)
where:
Base-Base interactions energy: -208.309
where: short stacking energy: -77.429
Base-Backbone interact. energy: -0.849
local terms energy: -89.503395
where:
bonds (distance) C4'-P energy: -18.294
bonds (distance) P-C4' energy: -18.569
flat angles C4'-P-C4' energy: -18.244
flat angles P-C4'-P energy: -13.704
tors. eta vs tors. theta energy: -20.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -293.441482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.441482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.441482 (E_RNA)
where:
Base-Base interactions energy: -195.669
where: short stacking energy: -81.440
Base-Backbone interact. energy: -0.095
local terms energy: -97.677338
where:
bonds (distance) C4'-P energy: -19.620
bonds (distance) P-C4' energy: -19.668
flat angles C4'-P-C4' energy: -17.322
flat angles P-C4'-P energy: -14.148
tors. eta vs tors. theta energy: -26.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -280.148831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.148831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.148831 (E_RNA)
where:
Base-Base interactions energy: -192.687
where: short stacking energy: -74.628
Base-Backbone interact. energy: -0.303
local terms energy: -87.158232
where:
bonds (distance) C4'-P energy: -14.419
bonds (distance) P-C4' energy: -21.856
flat angles C4'-P-C4' energy: -18.977
flat angles P-C4'-P energy: -7.774
tors. eta vs tors. theta energy: -24.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -266.582260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.582260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.582260 (E_RNA)
where:
Base-Base interactions energy: -177.964
where: short stacking energy: -73.816
Base-Backbone interact. energy: 0.628
local terms energy: -89.245865
where:
bonds (distance) C4'-P energy: -17.582
bonds (distance) P-C4' energy: -21.490
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -14.633
tors. eta vs tors. theta energy: -19.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -273.945889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.945889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.945889 (E_RNA)
where:
Base-Base interactions energy: -182.344
where: short stacking energy: -70.197
Base-Backbone interact. energy: -0.723
local terms energy: -90.878370
where:
bonds (distance) C4'-P energy: -18.497
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -19.657
flat angles P-C4'-P energy: -13.412
tors. eta vs tors. theta energy: -23.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -263.356522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.356522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.356522 (E_RNA)
where:
Base-Base interactions energy: -180.752
where: short stacking energy: -84.718
Base-Backbone interact. energy: -0.633
local terms energy: -81.972216
where:
bonds (distance) C4'-P energy: -9.228
bonds (distance) P-C4' energy: -18.885
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -13.279
tors. eta vs tors. theta energy: -26.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -189.901240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.901240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.901240 (E_RNA)
where:
Base-Base interactions energy: -122.534
where: short stacking energy: -55.525
Base-Backbone interact. energy: -0.032
local terms energy: -67.334516
where:
bonds (distance) C4'-P energy: -14.846
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -13.459
flat angles P-C4'-P energy: -10.305
tors. eta vs tors. theta energy: -14.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -94.255225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.255225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.255225 (E_RNA)
where:
Base-Base interactions energy: -39.899
where: short stacking energy: -29.539
Base-Backbone interact. energy: -0.630
local terms energy: -53.725703
where:
bonds (distance) C4'-P energy: -14.328
bonds (distance) P-C4' energy: -18.395
flat angles C4'-P-C4' energy: -13.873
flat angles P-C4'-P energy: -7.021
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: 6
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -83.890072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.890072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.890072 (E_RNA)
where:
Base-Base interactions energy: -24.783
where: short stacking energy: -24.783
Base-Backbone interact. energy: -0.049
local terms energy: -59.057563
where:
bonds (distance) C4'-P energy: -15.637
bonds (distance) P-C4' energy: -17.817
flat angles C4'-P-C4' energy: -14.099
flat angles P-C4'-P energy: -13.952
tors. eta vs tors. theta energy: 2.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -298.153835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.153835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.153835 (E_RNA)
where:
Base-Base interactions energy: -203.552
where: short stacking energy: -76.721
Base-Backbone interact. energy: -0.256
local terms energy: -94.345820
where:
bonds (distance) C4'-P energy: -19.883
bonds (distance) P-C4' energy: -21.154
flat angles C4'-P-C4' energy: -16.930
flat angles P-C4'-P energy: -13.928
tors. eta vs tors. theta energy: -22.450
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -275.611684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.611684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.611684 (E_RNA)
where:
Base-Base interactions energy: -187.023
where: short stacking energy: -72.182
Base-Backbone interact. energy: -0.043
local terms energy: -88.545595
where:
bonds (distance) C4'-P energy: -18.778
bonds (distance) P-C4' energy: -17.123
flat angles C4'-P-C4' energy: -16.692
flat angles P-C4'-P energy: -10.943
tors. eta vs tors. theta energy: -25.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -270.112949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.112949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.112949 (E_RNA)
where:
Base-Base interactions energy: -183.302
where: short stacking energy: -66.100
Base-Backbone interact. energy: -1.618
local terms energy: -85.193572
where:
bonds (distance) C4'-P energy: -15.137
bonds (distance) P-C4' energy: -15.602
flat angles C4'-P-C4' energy: -18.966
flat angles P-C4'-P energy: -14.719
tors. eta vs tors. theta energy: -20.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -284.311606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.311606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.311606 (E_RNA)
where:
Base-Base interactions energy: -195.951
where: short stacking energy: -80.904
Base-Backbone interact. energy: -1.118
local terms energy: -87.242529
where:
bonds (distance) C4'-P energy: -13.432
bonds (distance) P-C4' energy: -19.348
flat angles C4'-P-C4' energy: -17.959
flat angles P-C4'-P energy: -11.333
tors. eta vs tors. theta energy: -25.171
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: 5, replica: 8
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -271.882828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.882828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.882828 (E_RNA)
where:
Base-Base interactions energy: -186.550
where: short stacking energy: -72.021
Base-Backbone interact. energy: -0.033
local terms energy: -85.299925
where:
bonds (distance) C4'-P energy: -19.122
bonds (distance) P-C4' energy: -11.893
flat angles C4'-P-C4' energy: -18.511
flat angles P-C4'-P energy: -13.829
tors. eta vs tors. theta energy: -21.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -261.508216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.508216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.508216 (E_RNA)
where:
Base-Base interactions energy: -175.117
where: short stacking energy: -67.301
Base-Backbone interact. energy: -0.170
local terms energy: -86.220325
where:
bonds (distance) C4'-P energy: -15.975
bonds (distance) P-C4' energy: -19.244
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -13.246
tors. eta vs tors. theta energy: -22.746
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: 1
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -265.607216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.607216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.607216 (E_RNA)
where:
Base-Base interactions energy: -182.227
where: short stacking energy: -72.897
Base-Backbone interact. energy: -0.011
local terms energy: -83.369715
where:
bonds (distance) C4'-P energy: -14.236
bonds (distance) P-C4' energy: -15.034
flat angles C4'-P-C4' energy: -16.973
flat angles P-C4'-P energy: -9.941
tors. eta vs tors. theta energy: -27.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -181.001264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.001264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.001264 (E_RNA)
where:
Base-Base interactions energy: -113.545
where: short stacking energy: -46.305
Base-Backbone interact. energy: -0.601
local terms energy: -66.855378
where:
bonds (distance) C4'-P energy: -10.964
bonds (distance) P-C4' energy: -19.795
flat angles C4'-P-C4' energy: -12.904
flat angles P-C4'-P energy: -8.756
tors. eta vs tors. theta energy: -14.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -91.650255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.650255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.650255 (E_RNA)
where:
Base-Base interactions energy: -27.311
where: short stacking energy: -24.734
Base-Backbone interact. energy: -0.500
local terms energy: -63.838582
where:
bonds (distance) C4'-P energy: -19.499
bonds (distance) P-C4' energy: -20.840
flat angles C4'-P-C4' energy: -12.457
flat angles P-C4'-P energy: -8.123
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: 10, replica: 6
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -87.192035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.192035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.192035 (E_RNA)
where:
Base-Base interactions energy: -29.149
where: short stacking energy: -26.458
Base-Backbone interact. energy: -1.044
local terms energy: -56.999032
where:
bonds (distance) C4'-P energy: -16.117
bonds (distance) P-C4' energy: -18.707
flat angles C4'-P-C4' energy: -17.167
flat angles P-C4'-P energy: -5.092
tors. eta vs tors. theta energy: 0.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -301.423203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.423203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.423203 (E_RNA)
where:
Base-Base interactions energy: -211.380
where: short stacking energy: -80.563
Base-Backbone interact. energy: -0.913
local terms energy: -89.130616
where:
bonds (distance) C4'-P energy: -13.844
bonds (distance) P-C4' energy: -17.065
flat angles C4'-P-C4' energy: -21.119
flat angles P-C4'-P energy: -14.503
tors. eta vs tors. theta energy: -22.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -282.923634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.923634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.923634 (E_RNA)
where:
Base-Base interactions energy: -188.653
where: short stacking energy: -78.541
Base-Backbone interact. energy: -0.683
local terms energy: -93.588307
where:
bonds (distance) C4'-P energy: -18.468
bonds (distance) P-C4' energy: -21.926
flat angles C4'-P-C4' energy: -17.849
flat angles P-C4'-P energy: -14.876
tors. eta vs tors. theta energy: -20.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -277.357312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.357312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.357312 (E_RNA)
where:
Base-Base interactions energy: -185.961
where: short stacking energy: -73.420
Base-Backbone interact. energy: -1.104
local terms energy: -90.292949
where:
bonds (distance) C4'-P energy: -19.172
bonds (distance) P-C4' energy: -18.064
flat angles C4'-P-C4' energy: -18.570
flat angles P-C4'-P energy: -11.882
tors. eta vs tors. theta energy: -22.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -276.264672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.264672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.264672 (E_RNA)
where:
Base-Base interactions energy: -178.223
where: short stacking energy: -70.467
Base-Backbone interact. energy: -0.046
local terms energy: -97.994807
where:
bonds (distance) C4'-P energy: -18.659
bonds (distance) P-C4' energy: -16.960
flat angles C4'-P-C4' energy: -21.212
flat angles P-C4'-P energy: -16.854
tors. eta vs tors. theta energy: -24.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -267.014123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.014123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.014123 (E_RNA)
where:
Base-Base interactions energy: -184.916
where: short stacking energy: -65.480
Base-Backbone interact. energy: -0.756
local terms energy: -81.342375
where:
bonds (distance) C4'-P energy: -19.268
bonds (distance) P-C4' energy: -12.738
flat angles C4'-P-C4' energy: -18.701
flat angles P-C4'-P energy: -13.851
tors. eta vs tors. theta energy: -16.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -251.786448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.786448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.786448 (E_RNA)
where:
Base-Base interactions energy: -169.280
where: short stacking energy: -66.773
Base-Backbone interact. energy: 0.332
local terms energy: -82.838480
where:
bonds (distance) C4'-P energy: -19.536
bonds (distance) P-C4' energy: -13.351
flat angles C4'-P-C4' energy: -16.961
flat angles P-C4'-P energy: -10.048
tors. eta vs tors. theta energy: -22.942
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: 5
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -274.262338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.262338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.262338 (E_RNA)
where:
Base-Base interactions energy: -180.965
where: short stacking energy: -76.397
Base-Backbone interact. energy: -0.667
local terms energy: -92.630330
where:
bonds (distance) C4'-P energy: -17.976
bonds (distance) P-C4' energy: -15.377
flat angles C4'-P-C4' energy: -19.807
flat angles P-C4'-P energy: -13.350
tors. eta vs tors. theta energy: -26.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -193.105102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.105102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.105102 (E_RNA)
where:
Base-Base interactions energy: -119.206
where: short stacking energy: -52.930
Base-Backbone interact. energy: -0.894
local terms energy: -73.004725
where:
bonds (distance) C4'-P energy: -12.026
bonds (distance) P-C4' energy: -20.275
flat angles C4'-P-C4' energy: -18.888
flat angles P-C4'-P energy: -8.863
tors. eta vs tors. theta energy: -12.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -106.626325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.626325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.626325 (E_RNA)
where:
Base-Base interactions energy: -44.913
where: short stacking energy: -44.026
Base-Backbone interact. energy: 1.629
local terms energy: -63.343021
where:
bonds (distance) C4'-P energy: -17.255
bonds (distance) P-C4' energy: -13.637
flat angles C4'-P-C4' energy: -18.692
flat angles P-C4'-P energy: -11.070
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: 10, replica: 6
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -128.721905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.721905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.721905 (E_RNA)
where:
Base-Base interactions energy: -74.483
where: short stacking energy: -40.061
Base-Backbone interact. energy: 1.219
local terms energy: -55.458023
where:
bonds (distance) C4'-P energy: -13.586
bonds (distance) P-C4' energy: -11.771
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -6.178
tors. eta vs tors. theta energy: -9.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -292.899455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.899455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.899455 (E_RNA)
where:
Base-Base interactions energy: -206.042
where: short stacking energy: -74.564
Base-Backbone interact. energy: -0.266
local terms energy: -86.591221
where:
bonds (distance) C4'-P energy: -17.334
bonds (distance) P-C4' energy: -16.891
flat angles C4'-P-C4' energy: -19.462
flat angles P-C4'-P energy: -9.822
tors. eta vs tors. theta energy: -23.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -291.404214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.404214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.404214 (E_RNA)
where:
Base-Base interactions energy: -201.373
where: short stacking energy: -78.849
Base-Backbone interact. energy: -0.031
local terms energy: -90.000577
where:
bonds (distance) C4'-P energy: -16.469
bonds (distance) P-C4' energy: -18.132
flat angles C4'-P-C4' energy: -19.558
flat angles P-C4'-P energy: -12.991
tors. eta vs tors. theta energy: -22.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -280.111031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.111031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.111031 (E_RNA)
where:
Base-Base interactions energy: -183.741
where: short stacking energy: -76.703
Base-Backbone interact. energy: -1.574
local terms energy: -94.796459
where:
bonds (distance) C4'-P energy: -16.323
bonds (distance) P-C4' energy: -21.055
flat angles C4'-P-C4' energy: -16.872
flat angles P-C4'-P energy: -13.989
tors. eta vs tors. theta energy: -26.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -273.075659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.075659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.075659 (E_RNA)
where:
Base-Base interactions energy: -184.566
where: short stacking energy: -75.329
Base-Backbone interact. energy: -0.086
local terms energy: -88.423208
where:
bonds (distance) C4'-P energy: -18.601
bonds (distance) P-C4' energy: -16.459
flat angles C4'-P-C4' energy: -21.549
flat angles P-C4'-P energy: -12.256
tors. eta vs tors. theta energy: -19.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -277.854105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.854105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.854105 (E_RNA)
where:
Base-Base interactions energy: -196.970
where: short stacking energy: -79.122
Base-Backbone interact. energy: -0.356
local terms energy: -80.527248
where:
bonds (distance) C4'-P energy: -11.732
bonds (distance) P-C4' energy: -19.713
flat angles C4'-P-C4' energy: -18.244
flat angles P-C4'-P energy: -6.982
tors. eta vs tors. theta energy: -23.856
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: 6, replica: 1
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -261.719434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.719434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.719434 (E_RNA)
where:
Base-Base interactions energy: -181.266
where: short stacking energy: -72.781
Base-Backbone interact. energy: -0.272
local terms energy: -80.181206
where:
bonds (distance) C4'-P energy: -9.831
bonds (distance) P-C4' energy: -17.716
flat angles C4'-P-C4' energy: -16.830
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: -23.670
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: 7, replica: 5
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -235.084065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.084065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.084065 (E_RNA)
where:
Base-Base interactions energy: -162.854
where: short stacking energy: -62.717
Base-Backbone interact. energy: -0.116
local terms energy: -72.113819
where:
bonds (distance) C4'-P energy: -13.554
bonds (distance) P-C4' energy: -12.288
flat angles C4'-P-C4' energy: -15.723
flat angles P-C4'-P energy: -13.250
tors. eta vs tors. theta energy: -17.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -167.977378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.977378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.977378 (E_RNA)
where:
Base-Base interactions energy: -91.705
where: short stacking energy: -43.645
Base-Backbone interact. energy: -0.935
local terms energy: -75.337731
where:
bonds (distance) C4'-P energy: -16.874
bonds (distance) P-C4' energy: -19.264
flat angles C4'-P-C4' energy: -18.699
flat angles P-C4'-P energy: -8.570
tors. eta vs tors. theta energy: -11.931
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: 6
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -131.001715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.001715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.001715 (E_RNA)
where:
Base-Base interactions energy: -75.132
where: short stacking energy: -36.284
Base-Backbone interact. energy: 1.203
local terms energy: -57.072799
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -18.906
flat angles C4'-P-C4' energy: -13.998
flat angles P-C4'-P energy: -8.279
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: 294
Temperature: 1.350000
Total energy: -95.310855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.310855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.310855 (E_RNA)
where:
Base-Base interactions energy: -41.075
where: short stacking energy: -21.281
Base-Backbone interact. energy: -0.853
local terms energy: -53.382397
where:
bonds (distance) C4'-P energy: -17.204
bonds (distance) P-C4' energy: -18.728
flat angles C4'-P-C4' energy: -8.569
flat angles P-C4'-P energy: -11.879
tors. eta vs tors. theta energy: 2.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -293.060150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.060150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.060150 (E_RNA)
where:
Base-Base interactions energy: -208.990
where: short stacking energy: -80.384
Base-Backbone interact. energy: -0.184
local terms energy: -83.886507
where:
bonds (distance) C4'-P energy: -15.461
bonds (distance) P-C4' energy: -18.312
flat angles C4'-P-C4' energy: -15.889
flat angles P-C4'-P energy: -11.766
tors. eta vs tors. theta energy: -22.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -284.272455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.272455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.272455 (E_RNA)
where:
Base-Base interactions energy: -194.646
where: short stacking energy: -74.768
Base-Backbone interact. energy: -0.076
local terms energy: -89.550758
where:
bonds (distance) C4'-P energy: -20.132
bonds (distance) P-C4' energy: -14.648
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -15.430
tors. eta vs tors. theta energy: -23.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -284.932743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.932743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.932743 (E_RNA)
where:
Base-Base interactions energy: -193.944
where: short stacking energy: -74.887
Base-Backbone interact. energy: -0.528
local terms energy: -90.460372
where:
bonds (distance) C4'-P energy: -18.760
bonds (distance) P-C4' energy: -17.164
flat angles C4'-P-C4' energy: -18.797
flat angles P-C4'-P energy: -10.995
tors. eta vs tors. theta energy: -24.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -258.799881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.799881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.799881 (E_RNA)
where:
Base-Base interactions energy: -179.407
where: short stacking energy: -78.545
Base-Backbone interact. energy: -0.058
local terms energy: -79.335237
where:
bonds (distance) C4'-P energy: -9.189
bonds (distance) P-C4' energy: -17.554
flat angles C4'-P-C4' energy: -19.656
flat angles P-C4'-P energy: -11.870
tors. eta vs tors. theta energy: -21.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -273.708288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.708288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.708288 (E_RNA)
where:
Base-Base interactions energy: -191.300
where: short stacking energy: -81.644
Base-Backbone interact. energy: -0.660
local terms energy: -81.748070
where:
bonds (distance) C4'-P energy: -14.093
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -17.313
flat angles P-C4'-P energy: -11.467
tors. eta vs tors. theta energy: -24.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -272.965460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.965460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.965460 (E_RNA)
where:
Base-Base interactions energy: -182.549
where: short stacking energy: -79.254
Base-Backbone interact. energy: -0.437
local terms energy: -89.979526
where:
bonds (distance) C4'-P energy: -16.268
bonds (distance) P-C4' energy: -18.245
flat angles C4'-P-C4' energy: -15.823
flat angles P-C4'-P energy: -12.630
tors. eta vs tors. theta energy: -27.012
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: 5
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -251.110676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.110676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.110676 (E_RNA)
where:
Base-Base interactions energy: -177.007
where: short stacking energy: -62.341
Base-Backbone interact. energy: -0.500
local terms energy: -73.604125
where:
bonds (distance) C4'-P energy: -15.298
bonds (distance) P-C4' energy: -16.053
flat angles C4'-P-C4' energy: -18.945
flat angles P-C4'-P energy: -3.724
tors. eta vs tors. theta energy: -19.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -168.351034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.351034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.351034 (E_RNA)
where:
Base-Base interactions energy: -98.917
where: short stacking energy: -54.693
Base-Backbone interact. energy: -0.523
local terms energy: -68.910978
where:
bonds (distance) C4'-P energy: -17.056
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -13.035
flat angles P-C4'-P energy: -6.957
tors. eta vs tors. theta energy: -15.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -170.224099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.224099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.224099 (E_RNA)
where:
Base-Base interactions energy: -103.622
where: short stacking energy: -42.388
Base-Backbone interact. energy: -0.252
local terms energy: -66.351004
where:
bonds (distance) C4'-P energy: -16.845
bonds (distance) P-C4' energy: -15.142
flat angles C4'-P-C4' energy: -11.428
flat angles P-C4'-P energy: -12.106
tors. eta vs tors. theta energy: -10.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -110.714933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.714933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.714933 (E_RNA)
where:
Base-Base interactions energy: -57.311
where: short stacking energy: -29.280
Base-Backbone interact. energy: -0.192
local terms energy: -53.211415
where:
bonds (distance) C4'-P energy: -12.663
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -16.550
flat angles P-C4'-P energy: -5.422
tors. eta vs tors. theta energy: -2.146
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: 1, replica: 2
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -285.838103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.838103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.838103 (E_RNA)
where:
Base-Base interactions energy: -192.124
where: short stacking energy: -75.963
Base-Backbone interact. energy: -0.081
local terms energy: -93.633332
where:
bonds (distance) C4'-P energy: -16.539
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -20.845
flat angles P-C4'-P energy: -15.748
tors. eta vs tors. theta energy: -24.560
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: 4
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -282.453939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.453939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.453939 (E_RNA)
where:
Base-Base interactions energy: -196.313
where: short stacking energy: -74.508
Base-Backbone interact. energy: -0.402
local terms energy: -85.738905
where:
bonds (distance) C4'-P energy: -17.557
bonds (distance) P-C4' energy: -14.642
flat angles C4'-P-C4' energy: -16.128
flat angles P-C4'-P energy: -14.952
tors. eta vs tors. theta energy: -22.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -282.252365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.252365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.252365 (E_RNA)
where:
Base-Base interactions energy: -195.884
where: short stacking energy: -76.799
Base-Backbone interact. energy: -0.360
local terms energy: -86.008242
where:
bonds (distance) C4'-P energy: -17.363
bonds (distance) P-C4' energy: -13.200
flat angles C4'-P-C4' energy: -19.379
flat angles P-C4'-P energy: -13.568
tors. eta vs tors. theta energy: -22.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -265.706233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.706233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.706233 (E_RNA)
where:
Base-Base interactions energy: -179.072
where: short stacking energy: -72.164
Base-Backbone interact. energy: -0.223
local terms energy: -86.410845
where:
bonds (distance) C4'-P energy: -15.482
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -20.214
flat angles P-C4'-P energy: -11.860
tors. eta vs tors. theta energy: -23.953
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: 8
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -273.487947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.487947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.487947 (E_RNA)
where:
Base-Base interactions energy: -183.286
where: short stacking energy: -77.816
Base-Backbone interact. energy: 0.608
local terms energy: -90.810833
where:
bonds (distance) C4'-P energy: -12.744
bonds (distance) P-C4' energy: -15.050
flat angles C4'-P-C4' energy: -20.005
flat angles P-C4'-P energy: -15.177
tors. eta vs tors. theta energy: -27.835
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: 1
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -258.075269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.075269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.075269 (E_RNA)
where:
Base-Base interactions energy: -173.203
where: short stacking energy: -80.024
Base-Backbone interact. energy: -0.112
local terms energy: -84.760746
where:
bonds (distance) C4'-P energy: -14.259
bonds (distance) P-C4' energy: -15.806
flat angles C4'-P-C4' energy: -19.753
flat angles P-C4'-P energy: -13.241
tors. eta vs tors. theta energy: -21.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -259.104501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.104501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.104501 (E_RNA)
where:
Base-Base interactions energy: -178.562
where: short stacking energy: -70.159
Base-Backbone interact. energy: 0.514
local terms energy: -81.056765
where:
bonds (distance) C4'-P energy: -14.534
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -20.861
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -21.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -133.536076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.536076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.536076 (E_RNA)
where:
Base-Base interactions energy: -64.531
where: short stacking energy: -41.045
Base-Backbone interact. energy: -0.642
local terms energy: -68.362579
where:
bonds (distance) C4'-P energy: -16.845
bonds (distance) P-C4' energy: -20.172
flat angles C4'-P-C4' energy: -19.194
flat angles P-C4'-P energy: -10.754
tors. eta vs tors. theta energy: -1.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -89.530782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.530782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.530782 (E_RNA)
where:
Base-Base interactions energy: -32.268
where: short stacking energy: -22.266
Base-Backbone interact. energy: -0.369
local terms energy: -56.893052
where:
bonds (distance) C4'-P energy: -14.040
bonds (distance) P-C4' energy: -18.430
flat angles C4'-P-C4' energy: -11.185
flat angles P-C4'-P energy: -10.298
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: 10, replica: 7
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -133.040406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.040406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.040406 (E_RNA)
where:
Base-Base interactions energy: -70.545
where: short stacking energy: -34.701
Base-Backbone interact. energy: -0.385
local terms energy: -62.110116
where:
bonds (distance) C4'-P energy: -12.237
bonds (distance) P-C4' energy: -17.674
flat angles C4'-P-C4' energy: -13.812
flat angles P-C4'-P energy: -9.610
tors. eta vs tors. theta energy: -8.777
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: 1, replica: 2
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -300.411986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.411986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.411986 (E_RNA)
where:
Base-Base interactions energy: -200.761
where: short stacking energy: -88.263
Base-Backbone interact. energy: -0.002
local terms energy: -99.649196
where:
bonds (distance) C4'-P energy: -20.922
bonds (distance) P-C4' energy: -20.722
flat angles C4'-P-C4' energy: -21.216
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -25.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -287.415469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.415469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.415469 (E_RNA)
where:
Base-Base interactions energy: -199.229
where: short stacking energy: -75.991
Base-Backbone interact. energy: 2.618
local terms energy: -90.804723
where:
bonds (distance) C4'-P energy: -16.270
bonds (distance) P-C4' energy: -16.630
flat angles C4'-P-C4' energy: -23.071
flat angles P-C4'-P energy: -12.201
tors. eta vs tors. theta energy: -22.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -281.888923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.888923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.888923 (E_RNA)
where:
Base-Base interactions energy: -190.370
where: short stacking energy: -73.456
Base-Backbone interact. energy: -0.356
local terms energy: -91.162395
where:
bonds (distance) C4'-P energy: -18.754
bonds (distance) P-C4' energy: -18.093
flat angles C4'-P-C4' energy: -18.821
flat angles P-C4'-P energy: -11.532
tors. eta vs tors. theta energy: -23.961
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: 297
Temperature: 1.050000
Total energy: -293.377326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.377326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.377326 (E_RNA)
where:
Base-Base interactions energy: -194.447
where: short stacking energy: -76.352
Base-Backbone interact. energy: -0.240
local terms energy: -98.690265
where:
bonds (distance) C4'-P energy: -22.372
bonds (distance) P-C4' energy: -22.184
flat angles C4'-P-C4' energy: -17.007
flat angles P-C4'-P energy: -13.791
tors. eta vs tors. theta energy: -23.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -277.519044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.519044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.519044 (E_RNA)
where:
Base-Base interactions energy: -187.775
where: short stacking energy: -77.659
Base-Backbone interact. energy: -0.001
local terms energy: -89.743480
where:
bonds (distance) C4'-P energy: -13.380
bonds (distance) P-C4' energy: -17.799
flat angles C4'-P-C4' energy: -19.889
flat angles P-C4'-P energy: -13.635
tors. eta vs tors. theta energy: -25.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -256.637451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.637451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.637451 (E_RNA)
where:
Base-Base interactions energy: -174.941
where: short stacking energy: -69.281
Base-Backbone interact. energy: -0.008
local terms energy: -81.688475
where:
bonds (distance) C4'-P energy: -10.955
bonds (distance) P-C4' energy: -11.834
flat angles C4'-P-C4' energy: -19.994
flat angles P-C4'-P energy: -14.499
tors. eta vs tors. theta energy: -24.407
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: 7, replica: 1
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -249.621502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.621502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.621502 (E_RNA)
where:
Base-Base interactions energy: -174.281
where: short stacking energy: -70.322
Base-Backbone interact. energy: -0.326
local terms energy: -75.014994
where:
bonds (distance) C4'-P energy: -10.060
bonds (distance) P-C4' energy: -13.898
flat angles C4'-P-C4' energy: -18.085
flat angles P-C4'-P energy: -14.051
tors. eta vs tors. theta energy: -18.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -147.845298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.845298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.845298 (E_RNA)
where:
Base-Base interactions energy: -76.161
where: short stacking energy: -38.158
Base-Backbone interact. energy: -0.392
local terms energy: -71.291792
where:
bonds (distance) C4'-P energy: -13.474
bonds (distance) P-C4' energy: -14.869
flat angles C4'-P-C4' energy: -19.404
flat angles P-C4'-P energy: -14.515
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: 9, replica: 10
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -96.753993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.753993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.753993 (E_RNA)
where:
Base-Base interactions energy: -34.881
where: short stacking energy: -34.246
Base-Backbone interact. energy: -0.005
local terms energy: -61.868171
where:
bonds (distance) C4'-P energy: -16.527
bonds (distance) P-C4' energy: -20.586
flat angles C4'-P-C4' energy: -16.122
flat angles P-C4'-P energy: -7.567
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: 10, replica: 7
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -113.979455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.979455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.979455 (E_RNA)
where:
Base-Base interactions energy: -58.376
where: short stacking energy: -22.624
Base-Backbone interact. energy: -0.113
local terms energy: -55.490609
where:
bonds (distance) C4'-P energy: -17.677
bonds (distance) P-C4' energy: -16.980
flat angles C4'-P-C4' energy: -15.538
flat angles P-C4'-P energy: -4.373
tors. eta vs tors. theta energy: -0.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -291.948615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.948615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.948615 (E_RNA)
where:
Base-Base interactions energy: -201.952
where: short stacking energy: -88.206
Base-Backbone interact. energy: -0.601
local terms energy: -89.395188
where:
bonds (distance) C4'-P energy: -17.181
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -19.075
flat angles P-C4'-P energy: -10.715
tors. eta vs tors. theta energy: -25.827
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: 2
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -289.644785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.644785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.644785 (E_RNA)
where:
Base-Base interactions energy: -200.198
where: short stacking energy: -80.329
Base-Backbone interact. energy: -0.093
local terms energy: -89.353875
where:
bonds (distance) C4'-P energy: -18.776
bonds (distance) P-C4' energy: -17.975
flat angles C4'-P-C4' energy: -19.793
flat angles P-C4'-P energy: -10.251
tors. eta vs tors. theta energy: -22.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -285.940186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.940186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.940186 (E_RNA)
where:
Base-Base interactions energy: -188.211
where: short stacking energy: -83.090
Base-Backbone interact. energy: -0.001
local terms energy: -97.728629
where:
bonds (distance) C4'-P energy: -19.441
bonds (distance) P-C4' energy: -20.358
flat angles C4'-P-C4' energy: -19.402
flat angles P-C4'-P energy: -12.222
tors. eta vs tors. theta energy: -26.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -281.831687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.831687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.831687 (E_RNA)
where:
Base-Base interactions energy: -195.687
where: short stacking energy: -81.072
Base-Backbone interact. energy: -0.031
local terms energy: -86.113135
where:
bonds (distance) C4'-P energy: -15.898
bonds (distance) P-C4' energy: -17.823
flat angles C4'-P-C4' energy: -17.640
flat angles P-C4'-P energy: -10.979
tors. eta vs tors. theta energy: -23.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -271.491147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.491147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.491147 (E_RNA)
where:
Base-Base interactions energy: -188.461
where: short stacking energy: -74.266
Base-Backbone interact. energy: -0.201
local terms energy: -82.828662
where:
bonds (distance) C4'-P energy: -14.892
bonds (distance) P-C4' energy: -13.403
flat angles C4'-P-C4' energy: -18.854
flat angles P-C4'-P energy: -11.687
tors. eta vs tors. theta energy: -23.993
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: 6, replica: 5
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -277.576652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.576652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.576652 (E_RNA)
where:
Base-Base interactions energy: -185.285
where: short stacking energy: -77.104
Base-Backbone interact. energy: -0.495
local terms energy: -91.796343
where:
bonds (distance) C4'-P energy: -20.628
bonds (distance) P-C4' energy: -18.119
flat angles C4'-P-C4' energy: -17.116
flat angles P-C4'-P energy: -12.148
tors. eta vs tors. theta energy: -23.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -250.764649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.764649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.764649 (E_RNA)
where:
Base-Base interactions energy: -183.149
where: short stacking energy: -71.088
Base-Backbone interact. energy: -1.396
local terms energy: -66.219674
where:
bonds (distance) C4'-P energy: -10.640
bonds (distance) P-C4' energy: -17.795
flat angles C4'-P-C4' energy: -12.667
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -15.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -166.469769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.469769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.469769 (E_RNA)
where:
Base-Base interactions energy: -93.007
where: short stacking energy: -49.794
Base-Backbone interact. energy: -0.515
local terms energy: -72.947764
where:
bonds (distance) C4'-P energy: -18.299
bonds (distance) P-C4' energy: -21.715
flat angles C4'-P-C4' energy: -15.333
flat angles P-C4'-P energy: -6.901
tors. eta vs tors. theta energy: -10.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -100.590889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.590889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.590889 (E_RNA)
where:
Base-Base interactions energy: -40.128
where: short stacking energy: -39.142
Base-Backbone interact. energy: -0.207
local terms energy: -60.256622
where:
bonds (distance) C4'-P energy: -15.467
bonds (distance) P-C4' energy: -13.440
flat angles C4'-P-C4' energy: -16.112
flat angles P-C4'-P energy: -9.835
tors. eta vs tors. theta energy: -5.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -89.022181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.022181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.022181 (E_RNA)
where:
Base-Base interactions energy: -33.980
where: short stacking energy: -30.152
Base-Backbone interact. energy: -1.542
local terms energy: -53.500084
where:
bonds (distance) C4'-P energy: -11.269
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -12.311
flat angles P-C4'-P energy: -7.035
tors. eta vs tors. theta energy: -6.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -286.940435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.940435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.940435 (E_RNA)
where:
Base-Base interactions energy: -197.505
where: short stacking energy: -78.229
Base-Backbone interact. energy: -0.095
local terms energy: -89.340255
where:
bonds (distance) C4'-P energy: -15.007
bonds (distance) P-C4' energy: -19.735
flat angles C4'-P-C4' energy: -21.225
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: -21.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -291.539592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.539592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.539592 (E_RNA)
where:
Base-Base interactions energy: -199.675
where: short stacking energy: -78.360
Base-Backbone interact. energy: -0.125
local terms energy: -91.739412
where:
bonds (distance) C4'-P energy: -16.262
bonds (distance) P-C4' energy: -19.899
flat angles C4'-P-C4' energy: -16.601
flat angles P-C4'-P energy: -12.889
tors. eta vs tors. theta energy: -26.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -287.741768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.741768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.741768 (E_RNA)
where:
Base-Base interactions energy: -191.295
where: short stacking energy: -77.287
Base-Backbone interact. energy: -1.393
local terms energy: -95.053976
where:
bonds (distance) C4'-P energy: -12.726
bonds (distance) P-C4' energy: -19.340
flat angles C4'-P-C4' energy: -23.153
flat angles P-C4'-P energy: -14.489
tors. eta vs tors. theta energy: -25.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -273.342249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.342249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.342249 (E_RNA)
where:
Base-Base interactions energy: -187.452
where: short stacking energy: -67.275
Base-Backbone interact. energy: -0.987
local terms energy: -84.902627
where:
bonds (distance) C4'-P energy: -14.954
bonds (distance) P-C4' energy: -15.719
flat angles C4'-P-C4' energy: -18.948
flat angles P-C4'-P energy: -13.917
tors. eta vs tors. theta energy: -21.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -280.468268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.468268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.468268 (E_RNA)
where:
Base-Base interactions energy: -183.182
where: short stacking energy: -82.231
Base-Backbone interact. energy: -0.091
local terms energy: -97.195488
where:
bonds (distance) C4'-P energy: -21.275
bonds (distance) P-C4' energy: -19.918
flat angles C4'-P-C4' energy: -21.101
flat angles P-C4'-P energy: -10.270
tors. eta vs tors. theta energy: -24.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -262.364102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.364102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.364102 (E_RNA)
where:
Base-Base interactions energy: -174.113
where: short stacking energy: -68.964
Base-Backbone interact. energy: -0.120
local terms energy: -88.131621
where:
bonds (distance) C4'-P energy: -18.700
bonds (distance) P-C4' energy: -13.768
flat angles C4'-P-C4' energy: -21.808
flat angles P-C4'-P energy: -12.056
tors. eta vs tors. theta energy: -21.800
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: 299
Temperature: 1.200000
Total energy: -245.637159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.637159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.637159 (E_RNA)
where:
Base-Base interactions energy: -171.505
where: short stacking energy: -62.499
Base-Backbone interact. energy: -0.350
local terms energy: -73.782281
where:
bonds (distance) C4'-P energy: -16.700
bonds (distance) P-C4' energy: -16.133
flat angles C4'-P-C4' energy: -15.791
flat angles P-C4'-P energy: -14.941
tors. eta vs tors. theta energy: -10.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -164.878360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.878360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.878360 (E_RNA)
where:
Base-Base interactions energy: -104.156
where: short stacking energy: -51.252
Base-Backbone interact. energy: 0.578
local terms energy: -61.299696
where:
bonds (distance) C4'-P energy: -9.816
bonds (distance) P-C4' energy: -14.487
flat angles C4'-P-C4' energy: -14.227
flat angles P-C4'-P energy: -11.155
tors. eta vs tors. theta energy: -11.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -93.798014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.798014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.798014 (E_RNA)
where:
Base-Base interactions energy: -31.945
where: short stacking energy: -25.420
Base-Backbone interact. energy: -0.182
local terms energy: -61.671612
where:
bonds (distance) C4'-P energy: -18.745
bonds (distance) P-C4' energy: -14.681
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -10.693
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: 10
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -96.855482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.855482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.855482 (E_RNA)
where:
Base-Base interactions energy: -36.216
where: short stacking energy: -35.283
Base-Backbone interact. energy: -0.190
local terms energy: -60.449221
where:
bonds (distance) C4'-P energy: -14.729
bonds (distance) P-C4' energy: -18.511
flat angles C4'-P-C4' energy: -12.966
flat angles P-C4'-P energy: -10.045
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: 1, replica: 8
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -291.895300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.895300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.895300 (E_RNA)
where:
Base-Base interactions energy: -189.276
where: short stacking energy: -80.971
Base-Backbone interact. energy: -0.006
local terms energy: -102.613294
where:
bonds (distance) C4'-P energy: -19.297
bonds (distance) P-C4' energy: -20.274
flat angles C4'-P-C4' energy: -20.427
flat angles P-C4'-P energy: -16.519
tors. eta vs tors. theta energy: -26.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -282.372829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.372829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.372829 (E_RNA)
where:
Base-Base interactions energy: -199.215
where: short stacking energy: -73.241
Base-Backbone interact. energy: -0.690
local terms energy: -82.467838
where:
bonds (distance) C4'-P energy: -12.320
bonds (distance) P-C4' energy: -12.789
flat angles C4'-P-C4' energy: -22.326
flat angles P-C4'-P energy: -13.723
tors. eta vs tors. theta energy: -21.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -286.139423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.139423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.139423 (E_RNA)
where:
Base-Base interactions energy: -200.031
where: short stacking energy: -81.384
Base-Backbone interact. energy: 0.339
local terms energy: -86.447763
where:
bonds (distance) C4'-P energy: -11.885
bonds (distance) P-C4' energy: -18.593
flat angles C4'-P-C4' energy: -18.687
flat angles P-C4'-P energy: -9.171
tors. eta vs tors. theta energy: -28.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -282.980089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.980089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.980089 (E_RNA)
where:
Base-Base interactions energy: -195.307
where: short stacking energy: -85.356
Base-Backbone interact. energy: -0.077
local terms energy: -87.595767
where:
bonds (distance) C4'-P energy: -16.754
bonds (distance) P-C4' energy: -16.058
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -11.924
tors. eta vs tors. theta energy: -26.781
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: 4
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -283.750299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.750299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.750299 (E_RNA)
where:
Base-Base interactions energy: -186.667
where: short stacking energy: -80.877
Base-Backbone interact. energy: -0.008
local terms energy: -97.074950
where:
bonds (distance) C4'-P energy: -16.194
bonds (distance) P-C4' energy: -20.850
flat angles C4'-P-C4' energy: -17.908
flat angles P-C4'-P energy: -15.566
tors. eta vs tors. theta energy: -26.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -264.328070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.328070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.328070 (E_RNA)
where:
Base-Base interactions energy: -186.546
where: short stacking energy: -69.537
Base-Backbone interact. energy: -0.284
local terms energy: -77.498484
where:
bonds (distance) C4'-P energy: -14.995
bonds (distance) P-C4' energy: -14.959
flat angles C4'-P-C4' energy: -19.952
flat angles P-C4'-P energy: -8.575
tors. eta vs tors. theta energy: -19.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -161.134440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.134440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.134440 (E_RNA)
where:
Base-Base interactions energy: -96.564
where: short stacking energy: -56.077
Base-Backbone interact. energy: -0.013
local terms energy: -64.557456
where:
bonds (distance) C4'-P energy: -15.404
bonds (distance) P-C4' energy: -15.724
flat angles C4'-P-C4' energy: -13.472
flat angles P-C4'-P energy: -9.774
tors. eta vs tors. theta energy: -10.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -249.035241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.035241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.035241 (E_RNA)
where:
Base-Base interactions energy: -166.265
where: short stacking energy: -71.919
Base-Backbone interact. energy: -0.125
local terms energy: -82.645371
where:
bonds (distance) C4'-P energy: -11.911
bonds (distance) P-C4' energy: -17.479
flat angles C4'-P-C4' energy: -19.486
flat angles P-C4'-P energy: -8.654
tors. eta vs tors. theta energy: -25.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -93.693721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.693721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.693721 (E_RNA)
where:
Base-Base interactions energy: -27.658
where: short stacking energy: -27.658
Base-Backbone interact. energy: -0.119
local terms energy: -65.916959
where:
bonds (distance) C4'-P energy: -18.216
bonds (distance) P-C4' energy: -17.190
flat angles C4'-P-C4' energy: -10.559
flat angles P-C4'-P energy: -14.945
tors. eta vs tors. theta energy: -5.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -88.956956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.956956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.956956 (E_RNA)
where:
Base-Base interactions energy: -28.126
where: short stacking energy: -23.758
Base-Backbone interact. energy: 1.321
local terms energy: -62.152395
where:
bonds (distance) C4'-P energy: -19.636
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -14.993
flat angles P-C4'-P energy: -7.799
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: 1, replica: 8
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -292.553703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.553703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.553703 (E_RNA)
where:
Base-Base interactions energy: -200.310
where: short stacking energy: -75.905
Base-Backbone interact. energy: -0.249
local terms energy: -91.995007
where:
bonds (distance) C4'-P energy: -18.186
bonds (distance) P-C4' energy: -16.877
flat angles C4'-P-C4' energy: -20.606
flat angles P-C4'-P energy: -12.611
tors. eta vs tors. theta energy: -23.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -288.646926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.646926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.646926 (E_RNA)
where:
Base-Base interactions energy: -195.804
where: short stacking energy: -83.173
Base-Backbone interact. energy: -0.483
local terms energy: -92.360108
where:
bonds (distance) C4'-P energy: -13.082
bonds (distance) P-C4' energy: -16.302
flat angles C4'-P-C4' energy: -18.873
flat angles P-C4'-P energy: -15.962
tors. eta vs tors. theta energy: -28.141
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: 3
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -289.890238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.890238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.890238 (E_RNA)
where:
Base-Base interactions energy: -202.360
where: short stacking energy: -78.021
Base-Backbone interact. energy: -0.170
local terms energy: -87.360091
where:
bonds (distance) C4'-P energy: -15.044
bonds (distance) P-C4' energy: -21.453
flat angles C4'-P-C4' energy: -17.094
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -23.351
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: 4, replica: 4
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -275.623880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.623880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.623880 (E_RNA)
where:
Base-Base interactions energy: -192.724
where: short stacking energy: -77.771
Base-Backbone interact. energy: -0.453
local terms energy: -82.446399
where:
bonds (distance) C4'-P energy: -13.752
bonds (distance) P-C4' energy: -20.125
flat angles C4'-P-C4' energy: -18.290
flat angles P-C4'-P energy: -4.696
tors. eta vs tors. theta energy: -25.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -278.834928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.834928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.834928 (E_RNA)
where:
Base-Base interactions energy: -183.560
where: short stacking energy: -75.747
Base-Backbone interact. energy: 1.540
local terms energy: -96.814362
where:
bonds (distance) C4'-P energy: -17.623
bonds (distance) P-C4' energy: -19.496
flat angles C4'-P-C4' energy: -17.497
flat angles P-C4'-P energy: -13.168
tors. eta vs tors. theta energy: -29.030
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: 5
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -257.753374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.753374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.753374 (E_RNA)
where:
Base-Base interactions energy: -168.969
where: short stacking energy: -73.824
Base-Backbone interact. energy: 3.264
local terms energy: -92.048284
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -18.259
flat angles C4'-P-C4' energy: -17.694
flat angles P-C4'-P energy: -14.143
tors. eta vs tors. theta energy: -27.697
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: 6
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -163.559855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.559855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.559855 (E_RNA)
where:
Base-Base interactions energy: -85.189
where: short stacking energy: -43.595
Base-Backbone interact. energy: 0.162
local terms energy: -78.533700
where:
bonds (distance) C4'-P energy: -20.232
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -18.724
flat angles P-C4'-P energy: -13.202
tors. eta vs tors. theta energy: -9.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -263.252581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.252581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.252581 (E_RNA)
where:
Base-Base interactions energy: -175.341
where: short stacking energy: -71.237
Base-Backbone interact. energy: -0.315
local terms energy: -87.596328
where:
bonds (distance) C4'-P energy: -14.162
bonds (distance) P-C4' energy: -18.855
flat angles C4'-P-C4' energy: -18.241
flat angles P-C4'-P energy: -12.420
tors. eta vs tors. theta energy: -23.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -87.490153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.490153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.490153 (E_RNA)
where:
Base-Base interactions energy: -27.393
where: short stacking energy: -22.120
Base-Backbone interact. energy: 3.154
local terms energy: -63.251225
where:
bonds (distance) C4'-P energy: -17.185
bonds (distance) P-C4' energy: -15.932
flat angles C4'-P-C4' energy: -17.458
flat angles P-C4'-P energy: -10.163
tors. eta vs tors. theta energy: -2.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -89.387644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.387644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.387644 (E_RNA)
where:
Base-Base interactions energy: -30.607
where: short stacking energy: -30.607
Base-Backbone interact. energy: -0.094
local terms energy: -58.686513
where:
bonds (distance) C4'-P energy: -17.557
bonds (distance) P-C4' energy: -17.448
flat angles C4'-P-C4' energy: -10.073
flat angles P-C4'-P energy: -9.918
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: 1, replica: 2
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -293.216150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.216150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.216150 (E_RNA)
where:
Base-Base interactions energy: -199.928
where: short stacking energy: -82.390
Base-Backbone interact. energy: -0.729
local terms energy: -92.559010
where:
bonds (distance) C4'-P energy: -17.512
bonds (distance) P-C4' energy: -18.180
flat angles C4'-P-C4' energy: -18.743
flat angles P-C4'-P energy: -12.631
tors. eta vs tors. theta energy: -25.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -285.528218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.528218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.528218 (E_RNA)
where:
Base-Base interactions energy: -198.470
where: short stacking energy: -71.983
Base-Backbone interact. energy: -0.049
local terms energy: -87.008967
where:
bonds (distance) C4'-P energy: -17.255
bonds (distance) P-C4' energy: -20.003
flat angles C4'-P-C4' energy: -19.945
flat angles P-C4'-P energy: -12.021
tors. eta vs tors. theta energy: -17.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -283.590534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.590534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.590534 (E_RNA)
where:
Base-Base interactions energy: -190.587
where: short stacking energy: -68.803
Base-Backbone interact. energy: -0.191
local terms energy: -92.812955
where:
bonds (distance) C4'-P energy: -18.953
bonds (distance) P-C4' energy: -18.314
flat angles C4'-P-C4' energy: -18.604
flat angles P-C4'-P energy: -14.561
tors. eta vs tors. theta energy: -22.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -282.324827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.324827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.324827 (E_RNA)
where:
Base-Base interactions energy: -197.203
where: short stacking energy: -80.253
Base-Backbone interact. energy: -0.974
local terms energy: -84.147927
where:
bonds (distance) C4'-P energy: -10.693
bonds (distance) P-C4' energy: -18.266
flat angles C4'-P-C4' energy: -17.178
flat angles P-C4'-P energy: -12.748
tors. eta vs tors. theta energy: -25.262
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -275.101130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.101130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.101130 (E_RNA)
where:
Base-Base interactions energy: -186.772
where: short stacking energy: -80.145
Base-Backbone interact. energy: -0.677
local terms energy: -87.652606
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -18.132
flat angles C4'-P-C4' energy: -21.986
flat angles P-C4'-P energy: -10.001
tors. eta vs tors. theta energy: -25.030
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -260.116158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.116158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.116158 (E_RNA)
where:
Base-Base interactions energy: -182.372
where: short stacking energy: -60.143
Base-Backbone interact. energy: -0.059
local terms energy: -77.685432
where:
bonds (distance) C4'-P energy: -16.991
bonds (distance) P-C4' energy: -16.348
flat angles C4'-P-C4' energy: -17.565
flat angles P-C4'-P energy: -7.048
tors. eta vs tors. theta energy: -19.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -264.848397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.848397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.848397 (E_RNA)
where:
Base-Base interactions energy: -184.863
where: short stacking energy: -71.324
Base-Backbone interact. energy: -0.524
local terms energy: -79.461089
where:
bonds (distance) C4'-P energy: -16.058
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -15.450
flat angles P-C4'-P energy: -7.208
tors. eta vs tors. theta energy: -24.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -163.886933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.886933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.886933 (E_RNA)
where:
Base-Base interactions energy: -99.378
where: short stacking energy: -42.860
Base-Backbone interact. energy: -0.374
local terms energy: -64.134911
where:
bonds (distance) C4'-P energy: -12.688
bonds (distance) P-C4' energy: -20.206
flat angles C4'-P-C4' energy: -12.671
flat angles P-C4'-P energy: -13.055
tors. eta vs tors. theta energy: -5.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -91.720715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.720715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.720715 (E_RNA)
where:
Base-Base interactions energy: -29.670
where: short stacking energy: -29.512
Base-Backbone interact. energy: 0.212
local terms energy: -62.263457
where:
bonds (distance) C4'-P energy: -16.915
bonds (distance) P-C4' energy: -15.277
flat angles C4'-P-C4' energy: -14.534
flat angles P-C4'-P energy: -11.613
tors. eta vs tors. theta energy: -3.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -82.869149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.869149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.869149 (E_RNA)
where:
Base-Base interactions energy: -15.210
where: short stacking energy: -15.210
Base-Backbone interact. energy: 0.334
local terms energy: -67.993217
where:
bonds (distance) C4'-P energy: -21.349
bonds (distance) P-C4' energy: -14.044
flat angles C4'-P-C4' energy: -14.719
flat angles P-C4'-P energy: -12.748
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: 1, replica: 2
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -294.293050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.293050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.293050 (E_RNA)
where:
Base-Base interactions energy: -197.529
where: short stacking energy: -78.154
Base-Backbone interact. energy: -0.458
local terms energy: -96.306080
where:
bonds (distance) C4'-P energy: -19.553
bonds (distance) P-C4' energy: -18.018
flat angles C4'-P-C4' energy: -21.551
flat angles P-C4'-P energy: -12.625
tors. eta vs tors. theta energy: -24.560
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: 303
Temperature: 0.950000
Total energy: -288.374745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.374745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.374745 (E_RNA)
where:
Base-Base interactions energy: -197.913
where: short stacking energy: -77.804
Base-Backbone interact. energy: 0.682
local terms energy: -91.143743
where:
bonds (distance) C4'-P energy: -17.590
bonds (distance) P-C4' energy: -15.382
flat angles C4'-P-C4' energy: -15.327
flat angles P-C4'-P energy: -15.531
tors. eta vs tors. theta energy: -27.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -281.808428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.808428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.808428 (E_RNA)
where:
Base-Base interactions energy: -193.837
where: short stacking energy: -79.400
Base-Backbone interact. energy: -0.704
local terms energy: -87.267436
where:
bonds (distance) C4'-P energy: -12.340
bonds (distance) P-C4' energy: -16.656
flat angles C4'-P-C4' energy: -17.650
flat angles P-C4'-P energy: -14.144
tors. eta vs tors. theta energy: -26.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -280.503006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.503006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.503006 (E_RNA)
where:
Base-Base interactions energy: -195.515
where: short stacking energy: -77.788
Base-Backbone interact. energy: -0.630
local terms energy: -84.358009
where:
bonds (distance) C4'-P energy: -16.441
bonds (distance) P-C4' energy: -16.303
flat angles C4'-P-C4' energy: -16.407
flat angles P-C4'-P energy: -11.696
tors. eta vs tors. theta energy: -23.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -281.856655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.856655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.856655 (E_RNA)
where:
Base-Base interactions energy: -199.391
where: short stacking energy: -69.574
Base-Backbone interact. energy: -0.880
local terms energy: -81.585373
where:
bonds (distance) C4'-P energy: -18.695
bonds (distance) P-C4' energy: -13.372
flat angles C4'-P-C4' energy: -19.247
flat angles P-C4'-P energy: -12.069
tors. eta vs tors. theta energy: -18.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -266.917150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.917150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.917150 (E_RNA)
where:
Base-Base interactions energy: -182.875
where: short stacking energy: -67.355
Base-Backbone interact. energy: -0.681
local terms energy: -83.361196
where:
bonds (distance) C4'-P energy: -13.639
bonds (distance) P-C4' energy: -19.500
flat angles C4'-P-C4' energy: -18.453
flat angles P-C4'-P energy: -14.609
tors. eta vs tors. theta energy: -17.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -257.713522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.713522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.713522 (E_RNA)
where:
Base-Base interactions energy: -176.581
where: short stacking energy: -66.794
Base-Backbone interact. energy: -0.390
local terms energy: -80.742557
where:
bonds (distance) C4'-P energy: -19.089
bonds (distance) P-C4' energy: -18.420
flat angles C4'-P-C4' energy: -16.219
flat angles P-C4'-P energy: -9.339
tors. eta vs tors. theta energy: -17.676
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -153.095232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.095232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.095232 (E_RNA)
where:
Base-Base interactions energy: -86.794
where: short stacking energy: -48.235
Base-Backbone interact. energy: -0.160
local terms energy: -66.141432
where:
bonds (distance) C4'-P energy: -13.343
bonds (distance) P-C4' energy: -19.575
flat angles C4'-P-C4' energy: -16.708
flat angles P-C4'-P energy: -5.766
tors. eta vs tors. theta energy: -10.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -95.206318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.206318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.206318 (E_RNA)
where:
Base-Base interactions energy: -34.828
where: short stacking energy: -27.625
Base-Backbone interact. energy: -0.421
local terms energy: -59.956710
where:
bonds (distance) C4'-P energy: -20.219
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -8.667
tors. eta vs tors. theta energy: 0.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -93.303064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.303064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.303064 (E_RNA)
where:
Base-Base interactions energy: -38.151
where: short stacking energy: -20.850
Base-Backbone interact. energy: 1.818
local terms energy: -56.970315
where:
bonds (distance) C4'-P energy: -16.029
bonds (distance) P-C4' energy: -19.709
flat angles C4'-P-C4' energy: -12.844
flat angles P-C4'-P energy: -8.498
tors. eta vs tors. theta energy: 0.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -294.120340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.120340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.120340 (E_RNA)
where:
Base-Base interactions energy: -202.207
where: short stacking energy: -76.805
Base-Backbone interact. energy: -0.964
local terms energy: -90.948950
where:
bonds (distance) C4'-P energy: -20.169
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -19.562
flat angles P-C4'-P energy: -11.387
tors. eta vs tors. theta energy: -23.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -275.756711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.756711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.756711 (E_RNA)
where:
Base-Base interactions energy: -184.899
where: short stacking energy: -74.550
Base-Backbone interact. energy: -0.003
local terms energy: -90.854256
where:
bonds (distance) C4'-P energy: -20.091
bonds (distance) P-C4' energy: -13.455
flat angles C4'-P-C4' energy: -21.485
flat angles P-C4'-P energy: -10.841
tors. eta vs tors. theta energy: -24.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -282.605496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.605496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.605496 (E_RNA)
where:
Base-Base interactions energy: -194.179
where: short stacking energy: -90.387
Base-Backbone interact. energy: -0.002
local terms energy: -88.424204
where:
bonds (distance) C4'-P energy: -17.094
bonds (distance) P-C4' energy: -18.343
flat angles C4'-P-C4' energy: -16.608
flat angles P-C4'-P energy: -10.162
tors. eta vs tors. theta energy: -26.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -279.290819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.290819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.290819 (E_RNA)
where:
Base-Base interactions energy: -185.310
where: short stacking energy: -77.246
Base-Backbone interact. energy: -0.232
local terms energy: -93.748175
where:
bonds (distance) C4'-P energy: -16.250
bonds (distance) P-C4' energy: -21.166
flat angles C4'-P-C4' energy: -20.517
flat angles P-C4'-P energy: -13.498
tors. eta vs tors. theta energy: -22.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -266.383416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.383416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.383416 (E_RNA)
where:
Base-Base interactions energy: -189.103
where: short stacking energy: -71.968
Base-Backbone interact. energy: -0.439
local terms energy: -76.841415
where:
bonds (distance) C4'-P energy: -15.371
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -17.812
flat angles P-C4'-P energy: -6.142
tors. eta vs tors. theta energy: -20.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -267.220490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.220490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.220490 (E_RNA)
where:
Base-Base interactions energy: -181.794
where: short stacking energy: -75.648
Base-Backbone interact. energy: -0.818
local terms energy: -84.608941
where:
bonds (distance) C4'-P energy: -21.106
bonds (distance) P-C4' energy: -19.119
flat angles C4'-P-C4' energy: -13.551
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -20.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -169.102965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.102965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.102965 (E_RNA)
where:
Base-Base interactions energy: -103.338
where: short stacking energy: -48.771
Base-Backbone interact. energy: -0.112
local terms energy: -65.652329
where:
bonds (distance) C4'-P energy: -18.683
bonds (distance) P-C4' energy: -10.835
flat angles C4'-P-C4' energy: -15.687
flat angles P-C4'-P energy: -8.966
tors. eta vs tors. theta energy: -11.481
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: 1
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -265.558293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.558293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.558293 (E_RNA)
where:
Base-Base interactions energy: -179.040
where: short stacking energy: -69.808
Base-Backbone interact. energy: -0.923
local terms energy: -85.595563
where:
bonds (distance) C4'-P energy: -17.730
bonds (distance) P-C4' energy: -17.329
flat angles C4'-P-C4' energy: -17.331
flat angles P-C4'-P energy: -11.880
tors. eta vs tors. theta energy: -21.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -96.120409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.120409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.120409 (E_RNA)
where:
Base-Base interactions energy: -41.803
where: short stacking energy: -30.640
Base-Backbone interact. energy: 0.283
local terms energy: -54.599868
where:
bonds (distance) C4'-P energy: -13.873
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -15.006
flat angles P-C4'-P energy: -11.894
tors. eta vs tors. theta energy: 2.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -92.570236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.570236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.570236 (E_RNA)
where:
Base-Base interactions energy: -31.269
where: short stacking energy: -18.846
Base-Backbone interact. energy: 0.064
local terms energy: -61.366149
where:
bonds (distance) C4'-P energy: -10.872
bonds (distance) P-C4' energy: -18.790
flat angles C4'-P-C4' energy: -17.144
flat angles P-C4'-P energy: -16.439
tors. eta vs tors. theta energy: 1.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -288.925452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.925452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.925452 (E_RNA)
where:
Base-Base interactions energy: -193.498
where: short stacking energy: -75.308
Base-Backbone interact. energy: -0.082
local terms energy: -95.345650
where:
bonds (distance) C4'-P energy: -18.807
bonds (distance) P-C4' energy: -18.909
flat angles C4'-P-C4' energy: -20.146
flat angles P-C4'-P energy: -10.876
tors. eta vs tors. theta energy: -26.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -279.474712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.474712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.474712 (E_RNA)
where:
Base-Base interactions energy: -183.292
where: short stacking energy: -80.264
Base-Backbone interact. energy: 2.203
local terms energy: -98.385535
where:
bonds (distance) C4'-P energy: -15.517
bonds (distance) P-C4' energy: -18.835
flat angles C4'-P-C4' energy: -22.571
flat angles P-C4'-P energy: -13.995
tors. eta vs tors. theta energy: -27.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -282.473797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.473797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.473797 (E_RNA)
where:
Base-Base interactions energy: -189.371
where: short stacking energy: -78.282
Base-Backbone interact. energy: 0.876
local terms energy: -93.978929
where:
bonds (distance) C4'-P energy: -17.902
bonds (distance) P-C4' energy: -20.440
flat angles C4'-P-C4' energy: -21.025
flat angles P-C4'-P energy: -12.094
tors. eta vs tors. theta energy: -22.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -284.204068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.204068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.204068 (E_RNA)
where:
Base-Base interactions energy: -193.726
where: short stacking energy: -72.433
Base-Backbone interact. energy: -1.289
local terms energy: -89.188436
where:
bonds (distance) C4'-P energy: -20.086
bonds (distance) P-C4' energy: -18.728
flat angles C4'-P-C4' energy: -20.551
flat angles P-C4'-P energy: -7.679
tors. eta vs tors. theta energy: -22.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -269.673071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.673071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.673071 (E_RNA)
where:
Base-Base interactions energy: -188.614
where: short stacking energy: -77.433
Base-Backbone interact. energy: -1.157
local terms energy: -79.902353
where:
bonds (distance) C4'-P energy: -15.979
bonds (distance) P-C4' energy: -14.768
flat angles C4'-P-C4' energy: -16.134
flat angles P-C4'-P energy: -13.207
tors. eta vs tors. theta energy: -19.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -263.622583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.622583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.622583 (E_RNA)
where:
Base-Base interactions energy: -172.001
where: short stacking energy: -81.079
Base-Backbone interact. energy: -0.047
local terms energy: -91.574242
where:
bonds (distance) C4'-P energy: -17.686
bonds (distance) P-C4' energy: -19.280
flat angles C4'-P-C4' energy: -13.347
flat angles P-C4'-P energy: -13.088
tors. eta vs tors. theta energy: -28.173
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: 6
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -162.429308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.429308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.429308 (E_RNA)
where:
Base-Base interactions energy: -99.134
where: short stacking energy: -36.823
Base-Backbone interact. energy: -0.985
local terms energy: -62.309429
where:
bonds (distance) C4'-P energy: -12.315
bonds (distance) P-C4' energy: -17.762
flat angles C4'-P-C4' energy: -15.388
flat angles P-C4'-P energy: -9.844
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: 1
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -251.761429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.761429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.761429 (E_RNA)
where:
Base-Base interactions energy: -169.133
where: short stacking energy: -59.281
Base-Backbone interact. energy: -0.207
local terms energy: -82.421243
where:
bonds (distance) C4'-P energy: -14.432
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -17.158
flat angles P-C4'-P energy: -8.550
tors. eta vs tors. theta energy: -27.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -99.156747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.156747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.156747 (E_RNA)
where:
Base-Base interactions energy: -44.310
where: short stacking energy: -25.752
Base-Backbone interact. energy: -0.281
local terms energy: -54.566519
where:
bonds (distance) C4'-P energy: -15.004
bonds (distance) P-C4' energy: -16.972
flat angles C4'-P-C4' energy: -13.832
flat angles P-C4'-P energy: -14.026
tors. eta vs tors. theta energy: 5.267
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: 10, replica: 7
=====================================
Write number: 305
Temperature: 1.350000
Total energy: -93.302944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.302944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.302944 (E_RNA)
where:
Base-Base interactions energy: -32.806
where: short stacking energy: -30.914
Base-Backbone interact. energy: -0.268
local terms energy: -60.229108
where:
bonds (distance) C4'-P energy: -11.669
bonds (distance) P-C4' energy: -14.948
flat angles C4'-P-C4' energy: -13.674
flat angles P-C4'-P energy: -14.674
tors. eta vs tors. theta energy: -5.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -283.658341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.658341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.658341 (E_RNA)
where:
Base-Base interactions energy: -182.707
where: short stacking energy: -81.458
Base-Backbone interact. energy: -0.006
local terms energy: -100.945485
where:
bonds (distance) C4'-P energy: -19.287
bonds (distance) P-C4' energy: -20.017
flat angles C4'-P-C4' energy: -19.611
flat angles P-C4'-P energy: -16.232
tors. eta vs tors. theta energy: -25.798
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: 306
Temperature: 0.950000
Total energy: -281.469408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.469408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.469408 (E_RNA)
where:
Base-Base interactions energy: -189.777
where: short stacking energy: -76.193
Base-Backbone interact. energy: -0.212
local terms energy: -91.479817
where:
bonds (distance) C4'-P energy: -17.453
bonds (distance) P-C4' energy: -20.369
flat angles C4'-P-C4' energy: -18.626
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -24.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -279.128942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.128942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.128942 (E_RNA)
where:
Base-Base interactions energy: -191.624
where: short stacking energy: -74.885
Base-Backbone interact. energy: -1.226
local terms energy: -86.279274
where:
bonds (distance) C4'-P energy: -16.070
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -17.219
flat angles P-C4'-P energy: -12.715
tors. eta vs tors. theta energy: -23.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -267.773504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.773504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.773504 (E_RNA)
where:
Base-Base interactions energy: -179.290
where: short stacking energy: -72.743
Base-Backbone interact. energy: -0.188
local terms energy: -88.295132
where:
bonds (distance) C4'-P energy: -14.875
bonds (distance) P-C4' energy: -11.820
flat angles C4'-P-C4' energy: -21.246
flat angles P-C4'-P energy: -10.960
tors. eta vs tors. theta energy: -29.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -273.595715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.595715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.595715 (E_RNA)
where:
Base-Base interactions energy: -181.643
where: short stacking energy: -70.216
Base-Backbone interact. energy: -0.987
local terms energy: -90.965947
where:
bonds (distance) C4'-P energy: -13.343
bonds (distance) P-C4' energy: -20.558
flat angles C4'-P-C4' energy: -19.180
flat angles P-C4'-P energy: -17.776
tors. eta vs tors. theta energy: -20.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -266.516970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.516970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.516970 (E_RNA)
where:
Base-Base interactions energy: -181.906
where: short stacking energy: -73.937
Base-Backbone interact. energy: 1.154
local terms energy: -85.765878
where:
bonds (distance) C4'-P energy: -19.604
bonds (distance) P-C4' energy: -17.600
flat angles C4'-P-C4' energy: -19.076
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -19.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -220.102004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.102004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.102004 (E_RNA)
where:
Base-Base interactions energy: -147.765
where: short stacking energy: -64.543
Base-Backbone interact. energy: -0.132
local terms energy: -72.204820
where:
bonds (distance) C4'-P energy: -15.297
bonds (distance) P-C4' energy: -16.702
flat angles C4'-P-C4' energy: -12.823
flat angles P-C4'-P energy: -11.747
tors. eta vs tors. theta energy: -15.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -200.605347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.605347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.605347 (E_RNA)
where:
Base-Base interactions energy: -122.484
where: short stacking energy: -53.871
Base-Backbone interact. energy: -1.096
local terms energy: -77.025555
where:
bonds (distance) C4'-P energy: -20.049
bonds (distance) P-C4' energy: -12.804
flat angles C4'-P-C4' energy: -16.437
flat angles P-C4'-P energy: -10.807
tors. eta vs tors. theta energy: -16.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -91.040636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.040636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.040636 (E_RNA)
where:
Base-Base interactions energy: -34.207
where: short stacking energy: -27.470
Base-Backbone interact. energy: -0.791
local terms energy: -56.042108
where:
bonds (distance) C4'-P energy: -19.403
bonds (distance) P-C4' energy: -18.469
flat angles C4'-P-C4' energy: -9.343
flat angles P-C4'-P energy: -8.731
tors. eta vs tors. theta energy: -0.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -90.021514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.021514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.021514 (E_RNA)
where:
Base-Base interactions energy: -27.175
where: short stacking energy: -26.282
Base-Backbone interact. energy: -0.163
local terms energy: -62.683194
where:
bonds (distance) C4'-P energy: -14.883
bonds (distance) P-C4' energy: -21.755
flat angles C4'-P-C4' energy: -17.124
flat angles P-C4'-P energy: -8.460
tors. eta vs tors. theta energy: -0.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -276.963812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.963812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.963812 (E_RNA)
where:
Base-Base interactions energy: -184.514
where: short stacking energy: -74.829
Base-Backbone interact. energy: 1.004
local terms energy: -93.453686
where:
bonds (distance) C4'-P energy: -16.261
bonds (distance) P-C4' energy: -22.430
flat angles C4'-P-C4' energy: -21.607
flat angles P-C4'-P energy: -14.323
tors. eta vs tors. theta energy: -18.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -283.732048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.732048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.732048 (E_RNA)
where:
Base-Base interactions energy: -192.740
where: short stacking energy: -81.894
Base-Backbone interact. energy: -0.053
local terms energy: -90.939027
where:
bonds (distance) C4'-P energy: -17.610
bonds (distance) P-C4' energy: -18.396
flat angles C4'-P-C4' energy: -17.657
flat angles P-C4'-P energy: -16.479
tors. eta vs tors. theta energy: -20.797
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: 3, replica: 4
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -281.872176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.872176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.872176 (E_RNA)
where:
Base-Base interactions energy: -185.931
where: short stacking energy: -79.707
Base-Backbone interact. energy: -0.539
local terms energy: -95.402100
where:
bonds (distance) C4'-P energy: -18.986
bonds (distance) P-C4' energy: -20.203
flat angles C4'-P-C4' energy: -19.698
flat angles P-C4'-P energy: -11.727
tors. eta vs tors. theta energy: -24.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -274.828759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.828759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.828759 (E_RNA)
where:
Base-Base interactions energy: -184.653
where: short stacking energy: -72.933
Base-Backbone interact. energy: -0.517
local terms energy: -89.658006
where:
bonds (distance) C4'-P energy: -13.082
bonds (distance) P-C4' energy: -20.534
flat angles C4'-P-C4' energy: -16.778
flat angles P-C4'-P energy: -15.658
tors. eta vs tors. theta energy: -23.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -276.760563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.760563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.760563 (E_RNA)
where:
Base-Base interactions energy: -192.194
where: short stacking energy: -82.280
Base-Backbone interact. energy: -0.007
local terms energy: -84.560265
where:
bonds (distance) C4'-P energy: -18.940
bonds (distance) P-C4' energy: -12.729
flat angles C4'-P-C4' energy: -17.256
flat angles P-C4'-P energy: -10.764
tors. eta vs tors. theta energy: -24.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -265.869727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.869727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.869727 (E_RNA)
where:
Base-Base interactions energy: -175.506
where: short stacking energy: -70.271
Base-Backbone interact. energy: -0.002
local terms energy: -90.361694
where:
bonds (distance) C4'-P energy: -19.130
bonds (distance) P-C4' energy: -19.414
flat angles C4'-P-C4' energy: -15.986
flat angles P-C4'-P energy: -12.832
tors. eta vs tors. theta energy: -23.000
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: 1
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -181.642890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.642890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.642890 (E_RNA)
where:
Base-Base interactions energy: -121.861
where: short stacking energy: -59.439
Base-Backbone interact. energy: -0.086
local terms energy: -59.696618
where:
bonds (distance) C4'-P energy: -11.891
bonds (distance) P-C4' energy: -11.427
flat angles C4'-P-C4' energy: -17.990
flat angles P-C4'-P energy: -9.521
tors. eta vs tors. theta energy: -8.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -201.009972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.009972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.009972 (E_RNA)
where:
Base-Base interactions energy: -124.943
where: short stacking energy: -49.331
Base-Backbone interact. energy: -0.008
local terms energy: -76.059165
where:
bonds (distance) C4'-P energy: -16.298
bonds (distance) P-C4' energy: -18.728
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -11.291
tors. eta vs tors. theta energy: -14.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -93.440098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.440098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.440098 (E_RNA)
where:
Base-Base interactions energy: -36.541
where: short stacking energy: -34.418
Base-Backbone interact. energy: 0.412
local terms energy: -57.311131
where:
bonds (distance) C4'-P energy: -11.447
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -17.112
flat angles P-C4'-P energy: -8.345
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: 10, replica: 10
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -85.735832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.735832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.735832 (E_RNA)
where:
Base-Base interactions energy: -34.849
where: short stacking energy: -31.659
Base-Backbone interact. energy: -0.148
local terms energy: -50.738534
where:
bonds (distance) C4'-P energy: -7.639
bonds (distance) P-C4' energy: -15.163
flat angles C4'-P-C4' energy: -17.742
flat angles P-C4'-P energy: -9.069
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: 1, replica: 2
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -287.656286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.656286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.656286 (E_RNA)
where:
Base-Base interactions energy: -194.484
where: short stacking energy: -74.146
Base-Backbone interact. energy: -0.144
local terms energy: -93.027482
where:
bonds (distance) C4'-P energy: -18.846
bonds (distance) P-C4' energy: -19.593
flat angles C4'-P-C4' energy: -21.255
flat angles P-C4'-P energy: -12.041
tors. eta vs tors. theta energy: -21.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -284.970167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.970167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.970167 (E_RNA)
where:
Base-Base interactions energy: -196.653
where: short stacking energy: -74.066
Base-Backbone interact. energy: -0.079
local terms energy: -88.237752
where:
bonds (distance) C4'-P energy: -15.206
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -18.708
flat angles P-C4'-P energy: -14.751
tors. eta vs tors. theta energy: -23.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -281.291921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.291921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.291921 (E_RNA)
where:
Base-Base interactions energy: -191.139
where: short stacking energy: -81.726
Base-Backbone interact. energy: -0.315
local terms energy: -89.838097
where:
bonds (distance) C4'-P energy: -17.425
bonds (distance) P-C4' energy: -20.173
flat angles C4'-P-C4' energy: -17.497
flat angles P-C4'-P energy: -14.331
tors. eta vs tors. theta energy: -20.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -275.094520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.094520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.094520 (E_RNA)
where:
Base-Base interactions energy: -187.748
where: short stacking energy: -85.809
Base-Backbone interact. energy: -0.483
local terms energy: -86.863553
where:
bonds (distance) C4'-P energy: -15.811
bonds (distance) P-C4' energy: -16.732
flat angles C4'-P-C4' energy: -14.911
flat angles P-C4'-P energy: -13.969
tors. eta vs tors. theta energy: -25.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -282.697380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.697380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.697380 (E_RNA)
where:
Base-Base interactions energy: -193.652
where: short stacking energy: -78.001
Base-Backbone interact. energy: -0.044
local terms energy: -89.000955
where:
bonds (distance) C4'-P energy: -19.821
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -15.622
flat angles P-C4'-P energy: -11.820
tors. eta vs tors. theta energy: -27.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -268.402603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.402603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.402603 (E_RNA)
where:
Base-Base interactions energy: -190.008
where: short stacking energy: -81.048
Base-Backbone interact. energy: -0.692
local terms energy: -77.703039
where:
bonds (distance) C4'-P energy: -10.300
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -19.130
flat angles P-C4'-P energy: -2.767
tors. eta vs tors. theta energy: -28.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 308
Temperature: 1.200000
Total energy: -201.501596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.501596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.501596 (E_RNA)
where:
Base-Base interactions energy: -121.354
where: short stacking energy: -56.746
Base-Backbone interact. energy: -0.422
local terms energy: -79.725677
where:
bonds (distance) C4'-P energy: -19.693
bonds (distance) P-C4' energy: -21.324
flat angles C4'-P-C4' energy: -18.171
flat angles P-C4'-P energy: -9.072
tors. eta vs tors. theta energy: -11.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -179.129181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.129181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.129181 (E_RNA)
where:
Base-Base interactions energy: -110.175
where: short stacking energy: -45.724
Base-Backbone interact. energy: -0.600
local terms energy: -68.353870
where:
bonds (distance) C4'-P energy: -14.431
bonds (distance) P-C4' energy: -18.634
flat angles C4'-P-C4' energy: -18.772
flat angles P-C4'-P energy: -9.286
tors. eta vs tors. theta energy: -7.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -91.485540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.485540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.485540 (E_RNA)
where:
Base-Base interactions energy: -35.086
where: short stacking energy: -35.086
Base-Backbone interact. energy: -0.416
local terms energy: -55.984198
where:
bonds (distance) C4'-P energy: -14.614
bonds (distance) P-C4' energy: -20.443
flat angles C4'-P-C4' energy: -12.434
flat angles P-C4'-P energy: -5.565
tors. eta vs tors. theta energy: -2.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -83.351951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.351951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.351951 (E_RNA)
where:
Base-Base interactions energy: -31.482
where: short stacking energy: -31.482
Base-Backbone interact. energy: -0.032
local terms energy: -51.838197
where:
bonds (distance) C4'-P energy: -10.797
bonds (distance) P-C4' energy: -13.832
flat angles C4'-P-C4' energy: -15.065
flat angles P-C4'-P energy: -8.347
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: 1, replica: 2
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -283.510842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.510842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.510842 (E_RNA)
where:
Base-Base interactions energy: -202.973
where: short stacking energy: -76.094
Base-Backbone interact. energy: -0.203
local terms energy: -80.335189
where:
bonds (distance) C4'-P energy: -14.518
bonds (distance) P-C4' energy: -16.296
flat angles C4'-P-C4' energy: -17.544
flat angles P-C4'-P energy: -12.131
tors. eta vs tors. theta energy: -19.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -298.254688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.254688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.254688 (E_RNA)
where:
Base-Base interactions energy: -200.664
where: short stacking energy: -81.976
Base-Backbone interact. energy: -0.520
local terms energy: -97.071361
where:
bonds (distance) C4'-P energy: -16.462
bonds (distance) P-C4' energy: -18.069
flat angles C4'-P-C4' energy: -21.212
flat angles P-C4'-P energy: -13.012
tors. eta vs tors. theta energy: -28.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -277.213809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.213809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.213809 (E_RNA)
where:
Base-Base interactions energy: -190.150
where: short stacking energy: -77.120
Base-Backbone interact. energy: -0.052
local terms energy: -87.011097
where:
bonds (distance) C4'-P energy: -18.878
bonds (distance) P-C4' energy: -13.648
flat angles C4'-P-C4' energy: -19.193
flat angles P-C4'-P energy: -14.835
tors. eta vs tors. theta energy: -20.458
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: 309
Temperature: 1.050000
Total energy: -275.719597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.719597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.719597 (E_RNA)
where:
Base-Base interactions energy: -185.136
where: short stacking energy: -76.784
Base-Backbone interact. energy: -0.584
local terms energy: -89.999620
where:
bonds (distance) C4'-P energy: -13.396
bonds (distance) P-C4' energy: -20.127
flat angles C4'-P-C4' energy: -21.058
flat angles P-C4'-P energy: -11.238
tors. eta vs tors. theta energy: -24.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -276.244477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.244477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.244477 (E_RNA)
where:
Base-Base interactions energy: -194.652
where: short stacking energy: -78.460
Base-Backbone interact. energy: 1.407
local terms energy: -82.999308
where:
bonds (distance) C4'-P energy: -16.549
bonds (distance) P-C4' energy: -13.670
flat angles C4'-P-C4' energy: -20.337
flat angles P-C4'-P energy: -12.234
tors. eta vs tors. theta energy: -20.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -192.937931 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.937931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.937931 (E_RNA)
where:
Base-Base interactions energy: -117.964
where: short stacking energy: -51.377
Base-Backbone interact. energy: 0.901
local terms energy: -75.874637
where:
bonds (distance) C4'-P energy: -16.323
bonds (distance) P-C4' energy: -18.346
flat angles C4'-P-C4' energy: -15.918
flat angles P-C4'-P energy: -10.149
tors. eta vs tors. theta energy: -15.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -252.688744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.688744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.688744 (E_RNA)
where:
Base-Base interactions energy: -178.537
where: short stacking energy: -76.022
Base-Backbone interact. energy: -0.079
local terms energy: -74.071890
where:
bonds (distance) C4'-P energy: -16.179
bonds (distance) P-C4' energy: -13.621
flat angles C4'-P-C4' energy: -14.260
flat angles P-C4'-P energy: -9.409
tors. eta vs tors. theta energy: -20.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -189.011229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.011229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.011229 (E_RNA)
where:
Base-Base interactions energy: -123.695
where: short stacking energy: -48.171
Base-Backbone interact. energy: -0.148
local terms energy: -65.168371
where:
bonds (distance) C4'-P energy: -13.649
bonds (distance) P-C4' energy: -16.280
flat angles C4'-P-C4' energy: -14.393
flat angles P-C4'-P energy: -12.376
tors. eta vs tors. theta energy: -8.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -90.743741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.743741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.743741 (E_RNA)
where:
Base-Base interactions energy: -29.435
where: short stacking energy: -25.026
Base-Backbone interact. energy: -0.888
local terms energy: -60.420600
where:
bonds (distance) C4'-P energy: -17.060
bonds (distance) P-C4' energy: -15.825
flat angles C4'-P-C4' energy: -16.419
flat angles P-C4'-P energy: -13.494
tors. eta vs tors. theta energy: 2.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -83.175207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.175207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.175207 (E_RNA)
where:
Base-Base interactions energy: -25.524
where: short stacking energy: -19.869
Base-Backbone interact. energy: 0.176
local terms energy: -57.827092
where:
bonds (distance) C4'-P energy: -14.282
bonds (distance) P-C4' energy: -19.490
flat angles C4'-P-C4' energy: -16.613
flat angles P-C4'-P energy: -6.840
tors. eta vs tors. theta energy: -0.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -293.088683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.088683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.088683 (E_RNA)
where:
Base-Base interactions energy: -200.941
where: short stacking energy: -80.391
Base-Backbone interact. energy: -0.765
local terms energy: -91.381980
where:
bonds (distance) C4'-P energy: -20.625
bonds (distance) P-C4' energy: -17.450
flat angles C4'-P-C4' energy: -18.044
flat angles P-C4'-P energy: -11.159
tors. eta vs tors. theta energy: -24.104
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: 3
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -292.191080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.191080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.191080 (E_RNA)
where:
Base-Base interactions energy: -194.533
where: short stacking energy: -83.542
Base-Backbone interact. energy: -0.805
local terms energy: -96.852240
where:
bonds (distance) C4'-P energy: -18.857
bonds (distance) P-C4' energy: -19.325
flat angles C4'-P-C4' energy: -17.886
flat angles P-C4'-P energy: -14.239
tors. eta vs tors. theta energy: -26.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -279.028346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.028346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.028346 (E_RNA)
where:
Base-Base interactions energy: -189.744
where: short stacking energy: -73.851
Base-Backbone interact. energy: -0.825
local terms energy: -88.459117
where:
bonds (distance) C4'-P energy: -16.634
bonds (distance) P-C4' energy: -20.159
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -16.365
tors. eta vs tors. theta energy: -22.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -272.134104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.134104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.134104 (E_RNA)
where:
Base-Base interactions energy: -190.243
where: short stacking energy: -73.833
Base-Backbone interact. energy: -0.025
local terms energy: -81.865879
where:
bonds (distance) C4'-P energy: -20.450
bonds (distance) P-C4' energy: -19.726
flat angles C4'-P-C4' energy: -15.058
flat angles P-C4'-P energy: -8.152
tors. eta vs tors. theta energy: -18.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -275.636500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.636500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.636500 (E_RNA)
where:
Base-Base interactions energy: -185.324
where: short stacking energy: -80.216
Base-Backbone interact. energy: -0.550
local terms energy: -89.762986
where:
bonds (distance) C4'-P energy: -17.797
bonds (distance) P-C4' energy: -16.437
flat angles C4'-P-C4' energy: -15.714
flat angles P-C4'-P energy: -10.948
tors. eta vs tors. theta energy: -28.867
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: 6, replica: 6
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -173.366258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.366258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.366258 (E_RNA)
where:
Base-Base interactions energy: -109.062
where: short stacking energy: -50.162
Base-Backbone interact. energy: -0.500
local terms energy: -63.804241
where:
bonds (distance) C4'-P energy: -18.116
bonds (distance) P-C4' energy: -11.248
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -9.830
tors. eta vs tors. theta energy: -10.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -210.696124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.696124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.696124 (E_RNA)
where:
Base-Base interactions energy: -143.084
where: short stacking energy: -47.812
Base-Backbone interact. energy: -0.416
local terms energy: -67.196097
where:
bonds (distance) C4'-P energy: -11.537
bonds (distance) P-C4' energy: -20.715
flat angles C4'-P-C4' energy: -11.898
flat angles P-C4'-P energy: -12.545
tors. eta vs tors. theta energy: -10.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -239.708354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.708354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.708354 (E_RNA)
where:
Base-Base interactions energy: -163.443
where: short stacking energy: -68.187
Base-Backbone interact. energy: -0.152
local terms energy: -76.113605
where:
bonds (distance) C4'-P energy: -15.872
bonds (distance) P-C4' energy: -14.140
flat angles C4'-P-C4' energy: -17.294
flat angles P-C4'-P energy: -8.890
tors. eta vs tors. theta energy: -19.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -92.606976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.606976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.606976 (E_RNA)
where:
Base-Base interactions energy: -30.006
where: short stacking energy: -29.164
Base-Backbone interact. energy: -0.682
local terms energy: -61.918506
where:
bonds (distance) C4'-P energy: -16.141
bonds (distance) P-C4' energy: -20.215
flat angles C4'-P-C4' energy: -7.957
flat angles P-C4'-P energy: -14.028
tors. eta vs tors. theta energy: -3.578
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -89.698237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.698237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.698237 (E_RNA)
where:
Base-Base interactions energy: -23.000
where: short stacking energy: -22.305
Base-Backbone interact. energy: -0.564
local terms energy: -66.133799
where:
bonds (distance) C4'-P energy: -18.100
bonds (distance) P-C4' energy: -20.408
flat angles C4'-P-C4' energy: -17.990
flat angles P-C4'-P energy: -9.126
tors. eta vs tors. theta energy: -0.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -296.803540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.803540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.803540 (E_RNA)
where:
Base-Base interactions energy: -207.055
where: short stacking energy: -73.725
Base-Backbone interact. energy: -0.353
local terms energy: -89.395846
where:
bonds (distance) C4'-P energy: -16.688
bonds (distance) P-C4' energy: -20.433
flat angles C4'-P-C4' energy: -18.044
flat angles P-C4'-P energy: -15.633
tors. eta vs tors. theta energy: -18.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -287.050999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.050999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.050999 (E_RNA)
where:
Base-Base interactions energy: -195.671
where: short stacking energy: -81.410
Base-Backbone interact. energy: -1.248
local terms energy: -90.131139
where:
bonds (distance) C4'-P energy: -18.014
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -17.286
flat angles P-C4'-P energy: -11.336
tors. eta vs tors. theta energy: -25.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -283.965053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.965053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.965053 (E_RNA)
where:
Base-Base interactions energy: -189.254
where: short stacking energy: -82.402
Base-Backbone interact. energy: -0.435
local terms energy: -94.275864
where:
bonds (distance) C4'-P energy: -15.761
bonds (distance) P-C4' energy: -19.309
flat angles C4'-P-C4' energy: -19.192
flat angles P-C4'-P energy: -16.186
tors. eta vs tors. theta energy: -23.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -278.286358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.286358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.286358 (E_RNA)
where:
Base-Base interactions energy: -192.613
where: short stacking energy: -85.172
Base-Backbone interact. energy: -0.113
local terms energy: -85.560574
where:
bonds (distance) C4'-P energy: -18.576
bonds (distance) P-C4' energy: -13.412
flat angles C4'-P-C4' energy: -18.001
flat angles P-C4'-P energy: -8.098
tors. eta vs tors. theta energy: -27.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -269.347538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.347538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.347538 (E_RNA)
where:
Base-Base interactions energy: -184.215
where: short stacking energy: -70.816
Base-Backbone interact. energy: -0.104
local terms energy: -85.028243
where:
bonds (distance) C4'-P energy: -16.402
bonds (distance) P-C4' energy: -19.314
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -25.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -210.277112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.277112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.277112 (E_RNA)
where:
Base-Base interactions energy: -140.956
where: short stacking energy: -58.601
Base-Backbone interact. energy: -0.170
local terms energy: -69.151507
where:
bonds (distance) C4'-P energy: -16.386
bonds (distance) P-C4' energy: -14.060
flat angles C4'-P-C4' energy: -17.213
flat angles P-C4'-P energy: -12.029
tors. eta vs tors. theta energy: -9.463
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: 7, replica: 6
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -173.424024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.424024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.424024 (E_RNA)
where:
Base-Base interactions energy: -106.921
where: short stacking energy: -48.679
Base-Backbone interact. energy: -0.336
local terms energy: -66.166605
where:
bonds (distance) C4'-P energy: -13.160
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -9.789
flat angles P-C4'-P energy: -15.817
tors. eta vs tors. theta energy: -10.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -223.104944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.104944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.104944 (E_RNA)
where:
Base-Base interactions energy: -148.712
where: short stacking energy: -67.968
Base-Backbone interact. energy: 1.305
local terms energy: -75.698451
where:
bonds (distance) C4'-P energy: -8.656
bonds (distance) P-C4' energy: -14.418
flat angles C4'-P-C4' energy: -18.096
flat angles P-C4'-P energy: -11.543
tors. eta vs tors. theta energy: -22.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -84.398861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.398861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.398861 (E_RNA)
where:
Base-Base interactions energy: -32.647
where: short stacking energy: -18.394
Base-Backbone interact. energy: 2.894
local terms energy: -54.646288
where:
bonds (distance) C4'-P energy: -15.727
bonds (distance) P-C4' energy: -16.741
flat angles C4'-P-C4' energy: -14.148
flat angles P-C4'-P energy: -11.880
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: 7
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -87.851820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.851820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.851820 (E_RNA)
where:
Base-Base interactions energy: -31.698
where: short stacking energy: -27.867
Base-Backbone interact. energy: 1.680
local terms energy: -57.833654
where:
bonds (distance) C4'-P energy: -17.699
bonds (distance) P-C4' energy: -15.919
flat angles C4'-P-C4' energy: -9.867
flat angles P-C4'-P energy: -8.724
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: 1, replica: 8
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -289.974814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.974814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.974814 (E_RNA)
where:
Base-Base interactions energy: -201.835
where: short stacking energy: -83.440
Base-Backbone interact. energy: -0.544
local terms energy: -87.595435
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -19.841
flat angles C4'-P-C4' energy: -18.882
flat angles P-C4'-P energy: -9.320
tors. eta vs tors. theta energy: -23.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -287.300246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.300246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.300246 (E_RNA)
where:
Base-Base interactions energy: -195.418
where: short stacking energy: -73.142
Base-Backbone interact. energy: -0.093
local terms energy: -91.789578
where:
bonds (distance) C4'-P energy: -17.714
bonds (distance) P-C4' energy: -16.159
flat angles C4'-P-C4' energy: -21.083
flat angles P-C4'-P energy: -15.160
tors. eta vs tors. theta energy: -21.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -285.235591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.235591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.235591 (E_RNA)
where:
Base-Base interactions energy: -191.043
where: short stacking energy: -75.911
Base-Backbone interact. energy: -2.015
local terms energy: -92.177272
where:
bonds (distance) C4'-P energy: -17.771
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -17.571
flat angles P-C4'-P energy: -11.467
tors. eta vs tors. theta energy: -26.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -276.359984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.359984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.359984 (E_RNA)
where:
Base-Base interactions energy: -187.985
where: short stacking energy: -76.205
Base-Backbone interact. energy: -0.111
local terms energy: -88.263864
where:
bonds (distance) C4'-P energy: -18.034
bonds (distance) P-C4' energy: -13.656
flat angles C4'-P-C4' energy: -19.872
flat angles P-C4'-P energy: -12.228
tors. eta vs tors. theta energy: -24.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -275.965712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.965712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.965712 (E_RNA)
where:
Base-Base interactions energy: -193.099
where: short stacking energy: -76.175
Base-Backbone interact. energy: -0.347
local terms energy: -82.520092
where:
bonds (distance) C4'-P energy: -15.635
bonds (distance) P-C4' energy: -14.207
flat angles C4'-P-C4' energy: -19.543
flat angles P-C4'-P energy: -11.729
tors. eta vs tors. theta energy: -21.406
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: 6, replica: 1
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -197.161314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.161314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.161314 (E_RNA)
where:
Base-Base interactions energy: -129.929
where: short stacking energy: -63.604
Base-Backbone interact. energy: -0.851
local terms energy: -66.380890
where:
bonds (distance) C4'-P energy: -13.443
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -16.956
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: -11.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -244.441901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.441901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.441901 (E_RNA)
where:
Base-Base interactions energy: -173.782
where: short stacking energy: -69.380
Base-Backbone interact. energy: -0.826
local terms energy: -69.833398
where:
bonds (distance) C4'-P energy: -3.359
bonds (distance) P-C4' energy: -15.984
flat angles C4'-P-C4' energy: -17.536
flat angles P-C4'-P energy: -9.609
tors. eta vs tors. theta energy: -23.345
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: 8, replica: 6
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -158.312730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.312730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.312730 (E_RNA)
where:
Base-Base interactions energy: -93.380
where: short stacking energy: -38.076
Base-Backbone interact. energy: -0.253
local terms energy: -64.680614
where:
bonds (distance) C4'-P energy: -12.656
bonds (distance) P-C4' energy: -19.182
flat angles C4'-P-C4' energy: -14.798
flat angles P-C4'-P energy: -12.372
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: 9, replica: 7
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -111.294377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.294377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.294377 (E_RNA)
where:
Base-Base interactions energy: -44.430
where: short stacking energy: -44.430
Base-Backbone interact. energy: 0.248
local terms energy: -67.112723
where:
bonds (distance) C4'-P energy: -19.130
bonds (distance) P-C4' energy: -17.455
flat angles C4'-P-C4' energy: -17.279
flat angles P-C4'-P energy: -7.544
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: 10, replica: 10
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -96.045921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.045921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.045921 (E_RNA)
where:
Base-Base interactions energy: -32.046
where: short stacking energy: -26.434
Base-Backbone interact. energy: -0.786
local terms energy: -63.214339
where:
bonds (distance) C4'-P energy: -14.883
bonds (distance) P-C4' energy: -18.209
flat angles C4'-P-C4' energy: -13.489
flat angles P-C4'-P energy: -14.224
tors. eta vs tors. theta energy: -2.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -288.070531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.070531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.070531 (E_RNA)
where:
Base-Base interactions energy: -189.975
where: short stacking energy: -77.997
Base-Backbone interact. energy: -0.006
local terms energy: -98.089959
where:
bonds (distance) C4'-P energy: -20.132
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -22.213
flat angles P-C4'-P energy: -13.374
tors. eta vs tors. theta energy: -27.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -294.557053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.557053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.557053 (E_RNA)
where:
Base-Base interactions energy: -192.899
where: short stacking energy: -86.758
Base-Backbone interact. energy: -1.468
local terms energy: -100.190679
where:
bonds (distance) C4'-P energy: -21.577
bonds (distance) P-C4' energy: -18.998
flat angles C4'-P-C4' energy: -18.697
flat angles P-C4'-P energy: -16.115
tors. eta vs tors. theta energy: -24.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -280.502645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.502645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.502645 (E_RNA)
where:
Base-Base interactions energy: -200.227
where: short stacking energy: -73.675
Base-Backbone interact. energy: -1.188
local terms energy: -79.087914
where:
bonds (distance) C4'-P energy: -16.870
bonds (distance) P-C4' energy: -12.871
flat angles C4'-P-C4' energy: -18.757
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -19.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -284.076497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.076497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.076497 (E_RNA)
where:
Base-Base interactions energy: -192.719
where: short stacking energy: -80.106
Base-Backbone interact. energy: -0.198
local terms energy: -91.159091
where:
bonds (distance) C4'-P energy: -19.740
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -20.540
flat angles P-C4'-P energy: -12.211
tors. eta vs tors. theta energy: -22.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -266.339002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.339002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.339002 (E_RNA)
where:
Base-Base interactions energy: -175.526
where: short stacking energy: -73.392
Base-Backbone interact. energy: -0.124
local terms energy: -90.689291
where:
bonds (distance) C4'-P energy: -18.394
bonds (distance) P-C4' energy: -17.815
flat angles C4'-P-C4' energy: -20.946
flat angles P-C4'-P energy: -12.776
tors. eta vs tors. theta energy: -20.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -279.796685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.796685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.796685 (E_RNA)
where:
Base-Base interactions energy: -191.752
where: short stacking energy: -76.911
Base-Backbone interact. energy: -0.175
local terms energy: -87.869473
where:
bonds (distance) C4'-P energy: -14.440
bonds (distance) P-C4' energy: -17.680
flat angles C4'-P-C4' energy: -20.354
flat angles P-C4'-P energy: -7.662
tors. eta vs tors. theta energy: -27.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -205.248219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.248219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.248219 (E_RNA)
where:
Base-Base interactions energy: -133.459
where: short stacking energy: -58.489
Base-Backbone interact. energy: -2.433
local terms energy: -69.356309
where:
bonds (distance) C4'-P energy: -15.661
bonds (distance) P-C4' energy: -16.990
flat angles C4'-P-C4' energy: -10.381
flat angles P-C4'-P energy: -15.436
tors. eta vs tors. theta energy: -10.888
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: 8, replica: 6
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -169.809030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.809030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.809030 (E_RNA)
where:
Base-Base interactions energy: -109.052
where: short stacking energy: -39.580
Base-Backbone interact. energy: 3.050
local terms energy: -63.807006
where:
bonds (distance) C4'-P energy: -13.197
bonds (distance) P-C4' energy: -18.409
flat angles C4'-P-C4' energy: -17.792
flat angles P-C4'-P energy: -13.039
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: 9, replica: 7
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -85.019183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.019183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.019183 (E_RNA)
where:
Base-Base interactions energy: -27.712
where: short stacking energy: -23.815
Base-Backbone interact. energy: -1.993
local terms energy: -55.314037
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -15.643
flat angles C4'-P-C4' energy: -10.870
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -1.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -89.363632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.363632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.363632 (E_RNA)
where:
Base-Base interactions energy: -38.146
where: short stacking energy: -38.033
Base-Backbone interact. energy: 1.035
local terms energy: -52.252805
where:
bonds (distance) C4'-P energy: -13.404
bonds (distance) P-C4' energy: -10.783
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: -2.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -295.176315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.176315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.176315 (E_RNA)
where:
Base-Base interactions energy: -202.069
where: short stacking energy: -85.552
Base-Backbone interact. energy: -0.002
local terms energy: -93.105531
where:
bonds (distance) C4'-P energy: -19.367
bonds (distance) P-C4' energy: -15.640
flat angles C4'-P-C4' energy: -18.244
flat angles P-C4'-P energy: -14.617
tors. eta vs tors. theta energy: -25.238
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: 8
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -288.659220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.659220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.659220 (E_RNA)
where:
Base-Base interactions energy: -195.722
where: short stacking energy: -78.049
Base-Backbone interact. energy: -0.305
local terms energy: -92.632498
where:
bonds (distance) C4'-P energy: -19.192
bonds (distance) P-C4' energy: -18.774
flat angles C4'-P-C4' energy: -17.580
flat angles P-C4'-P energy: -11.511
tors. eta vs tors. theta energy: -25.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -285.363990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.363990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.363990 (E_RNA)
where:
Base-Base interactions energy: -192.741
where: short stacking energy: -82.334
Base-Backbone interact. energy: 0.016
local terms energy: -92.638900
where:
bonds (distance) C4'-P energy: -16.886
bonds (distance) P-C4' energy: -19.480
flat angles C4'-P-C4' energy: -18.317
flat angles P-C4'-P energy: -14.058
tors. eta vs tors. theta energy: -23.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -280.393707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.393707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.393707 (E_RNA)
where:
Base-Base interactions energy: -199.201
where: short stacking energy: -78.749
Base-Backbone interact. energy: -0.239
local terms energy: -80.954305
where:
bonds (distance) C4'-P energy: -15.538
bonds (distance) P-C4' energy: -17.529
flat angles C4'-P-C4' energy: -12.299
flat angles P-C4'-P energy: -11.512
tors. eta vs tors. theta energy: -24.076
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: 5
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -272.386879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.386879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.386879 (E_RNA)
where:
Base-Base interactions energy: -191.489
where: short stacking energy: -72.684
Base-Backbone interact. energy: -0.008
local terms energy: -80.889909
where:
bonds (distance) C4'-P energy: -13.218
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -18.082
flat angles P-C4'-P energy: -14.121
tors. eta vs tors. theta energy: -20.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -265.076030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.076030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.076030 (E_RNA)
where:
Base-Base interactions energy: -179.262
where: short stacking energy: -71.117
Base-Backbone interact. energy: -0.064
local terms energy: -85.749851
where:
bonds (distance) C4'-P energy: -16.269
bonds (distance) P-C4' energy: -18.201
flat angles C4'-P-C4' energy: -17.692
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -24.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -199.127475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.127475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.127475 (E_RNA)
where:
Base-Base interactions energy: -128.719
where: short stacking energy: -54.118
Base-Backbone interact. energy: -0.245
local terms energy: -70.162984
where:
bonds (distance) C4'-P energy: -13.234
bonds (distance) P-C4' energy: -12.742
flat angles C4'-P-C4' energy: -16.694
flat angles P-C4'-P energy: -12.510
tors. eta vs tors. theta energy: -14.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -212.000367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.000367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.000367 (E_RNA)
where:
Base-Base interactions energy: -135.867
where: short stacking energy: -59.016
Base-Backbone interact. energy: -1.427
local terms energy: -74.706197
where:
bonds (distance) C4'-P energy: -13.625
bonds (distance) P-C4' energy: -15.438
flat angles C4'-P-C4' energy: -17.820
flat angles P-C4'-P energy: -11.220
tors. eta vs tors. theta energy: -16.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -91.943715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.943715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.943715 (E_RNA)
where:
Base-Base interactions energy: -27.081
where: short stacking energy: -27.040
Base-Backbone interact. energy: -0.154
local terms energy: -64.708695
where:
bonds (distance) C4'-P energy: -19.172
bonds (distance) P-C4' energy: -18.309
flat angles C4'-P-C4' energy: -15.334
flat angles P-C4'-P energy: -9.096
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: 10, replica: 7
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -93.589404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.589404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.589404 (E_RNA)
where:
Base-Base interactions energy: -25.911
where: short stacking energy: -22.377
Base-Backbone interact. energy: 0.247
local terms energy: -67.925353
where:
bonds (distance) C4'-P energy: -13.803
bonds (distance) P-C4' energy: -18.249
flat angles C4'-P-C4' energy: -19.264
flat angles P-C4'-P energy: -14.127
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: 1, replica: 4
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -294.797299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.797299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.797299 (E_RNA)
where:
Base-Base interactions energy: -198.198
where: short stacking energy: -82.281
Base-Backbone interact. energy: -0.090
local terms energy: -96.509073
where:
bonds (distance) C4'-P energy: -22.033
bonds (distance) P-C4' energy: -16.586
flat angles C4'-P-C4' energy: -19.674
flat angles P-C4'-P energy: -11.161
tors. eta vs tors. theta energy: -27.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -286.222203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.222203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.222203 (E_RNA)
where:
Base-Base interactions energy: -189.080
where: short stacking energy: -80.994
Base-Backbone interact. energy: -0.213
local terms energy: -96.929132
where:
bonds (distance) C4'-P energy: -19.980
bonds (distance) P-C4' energy: -20.373
flat angles C4'-P-C4' energy: -18.769
flat angles P-C4'-P energy: -15.733
tors. eta vs tors. theta energy: -22.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -276.624470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.624470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.624470 (E_RNA)
where:
Base-Base interactions energy: -189.041
where: short stacking energy: -82.038
Base-Backbone interact. energy: -0.116
local terms energy: -87.467721
where:
bonds (distance) C4'-P energy: -14.179
bonds (distance) P-C4' energy: -19.562
flat angles C4'-P-C4' energy: -15.576
flat angles P-C4'-P energy: -13.770
tors. eta vs tors. theta energy: -24.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -274.737852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.737852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.737852 (E_RNA)
where:
Base-Base interactions energy: -188.894
where: short stacking energy: -77.440
Base-Backbone interact. energy: -0.033
local terms energy: -85.810772
where:
bonds (distance) C4'-P energy: -20.307
bonds (distance) P-C4' energy: -13.885
flat angles C4'-P-C4' energy: -16.789
flat angles P-C4'-P energy: -11.977
tors. eta vs tors. theta energy: -22.853
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: 5, replica: 5
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -272.220059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.220059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.220059 (E_RNA)
where:
Base-Base interactions energy: -188.139
where: short stacking energy: -75.605
Base-Backbone interact. energy: -0.038
local terms energy: -84.042963
where:
bonds (distance) C4'-P energy: -19.495
bonds (distance) P-C4' energy: -13.834
flat angles C4'-P-C4' energy: -19.952
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -20.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -264.491428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.491428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.491428 (E_RNA)
where:
Base-Base interactions energy: -180.403
where: short stacking energy: -73.618
Base-Backbone interact. energy: -0.038
local terms energy: -84.050357
where:
bonds (distance) C4'-P energy: -11.400
bonds (distance) P-C4' energy: -14.919
flat angles C4'-P-C4' energy: -21.413
flat angles P-C4'-P energy: -14.384
tors. eta vs tors. theta energy: -21.934
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: 6
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -194.195052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.195052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.195052 (E_RNA)
where:
Base-Base interactions energy: -117.401
where: short stacking energy: -46.820
Base-Backbone interact. energy: -0.675
local terms energy: -76.119113
where:
bonds (distance) C4'-P energy: -16.977
bonds (distance) P-C4' energy: -16.658
flat angles C4'-P-C4' energy: -18.592
flat angles P-C4'-P energy: -11.874
tors. eta vs tors. theta energy: -12.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -249.718004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.718004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.718004 (E_RNA)
where:
Base-Base interactions energy: -170.937
where: short stacking energy: -70.409
Base-Backbone interact. energy: -0.013
local terms energy: -78.768092
where:
bonds (distance) C4'-P energy: -17.656
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -19.035
flat angles P-C4'-P energy: -5.577
tors. eta vs tors. theta energy: -22.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -95.140783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.140783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.140783 (E_RNA)
where:
Base-Base interactions energy: -35.753
where: short stacking energy: -26.114
Base-Backbone interact. energy: -0.394
local terms energy: -58.994390
where:
bonds (distance) C4'-P energy: -19.275
bonds (distance) P-C4' energy: -17.796
flat angles C4'-P-C4' energy: -12.954
flat angles P-C4'-P energy: -4.107
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: 10, replica: 7
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -82.880527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.880527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.880527 (E_RNA)
where:
Base-Base interactions energy: -38.045
where: short stacking energy: -26.425
Base-Backbone interact. energy: -0.511
local terms energy: -44.324309
where:
bonds (distance) C4'-P energy: -12.338
bonds (distance) P-C4' energy: -14.480
flat angles C4'-P-C4' energy: -14.761
flat angles P-C4'-P energy: -4.209
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: 1, replica: 3
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -289.660737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.660737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.660737 (E_RNA)
where:
Base-Base interactions energy: -193.876
where: short stacking energy: -84.892
Base-Backbone interact. energy: 0.337
local terms energy: -96.121749
where:
bonds (distance) C4'-P energy: -15.307
bonds (distance) P-C4' energy: -21.592
flat angles C4'-P-C4' energy: -18.579
flat angles P-C4'-P energy: -14.096
tors. eta vs tors. theta energy: -26.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -287.013040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.013040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.013040 (E_RNA)
where:
Base-Base interactions energy: -200.220
where: short stacking energy: -85.936
Base-Backbone interact. energy: -1.298
local terms energy: -85.495784
where:
bonds (distance) C4'-P energy: -16.432
bonds (distance) P-C4' energy: -19.523
flat angles C4'-P-C4' energy: -19.695
flat angles P-C4'-P energy: -6.490
tors. eta vs tors. theta energy: -23.355
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: 8
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -289.262488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.262488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.262488 (E_RNA)
where:
Base-Base interactions energy: -197.294
where: short stacking energy: -75.791
Base-Backbone interact. energy: 0.109
local terms energy: -92.078090
where:
bonds (distance) C4'-P energy: -20.335
bonds (distance) P-C4' energy: -18.533
flat angles C4'-P-C4' energy: -18.250
flat angles P-C4'-P energy: -11.467
tors. eta vs tors. theta energy: -23.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -277.795835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.795835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.795835 (E_RNA)
where:
Base-Base interactions energy: -185.630
where: short stacking energy: -83.894
Base-Backbone interact. energy: -0.000
local terms energy: -92.165194
where:
bonds (distance) C4'-P energy: -18.216
bonds (distance) P-C4' energy: -17.802
flat angles C4'-P-C4' energy: -17.919
flat angles P-C4'-P energy: -12.511
tors. eta vs tors. theta energy: -25.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -273.416084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.416084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.416084 (E_RNA)
where:
Base-Base interactions energy: -188.317
where: short stacking energy: -79.133
Base-Backbone interact. energy: -0.258
local terms energy: -84.841098
where:
bonds (distance) C4'-P energy: -17.012
bonds (distance) P-C4' energy: -12.677
flat angles C4'-P-C4' energy: -19.690
flat angles P-C4'-P energy: -8.649
tors. eta vs tors. theta energy: -26.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -268.497457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.497457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.497457 (E_RNA)
where:
Base-Base interactions energy: -184.395
where: short stacking energy: -80.857
Base-Backbone interact. energy: 0.001
local terms energy: -84.103328
where:
bonds (distance) C4'-P energy: -14.800
bonds (distance) P-C4' energy: -17.067
flat angles C4'-P-C4' energy: -19.347
flat angles P-C4'-P energy: -9.265
tors. eta vs tors. theta energy: -23.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -257.790596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.790596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.790596 (E_RNA)
where:
Base-Base interactions energy: -172.240
where: short stacking energy: -72.070
Base-Backbone interact. energy: -0.375
local terms energy: -85.175941
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -14.488
flat angles C4'-P-C4' energy: -18.221
flat angles P-C4'-P energy: -12.913
tors. eta vs tors. theta energy: -24.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -161.132124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.132124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.132124 (E_RNA)
where:
Base-Base interactions energy: -95.541
where: short stacking energy: -41.608
Base-Backbone interact. energy: -0.704
local terms energy: -64.887878
where:
bonds (distance) C4'-P energy: -13.802
bonds (distance) P-C4' energy: -21.193
flat angles C4'-P-C4' energy: -11.498
flat angles P-C4'-P energy: -8.927
tors. eta vs tors. theta energy: -9.468
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: 7
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -98.562720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.562720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.562720 (E_RNA)
where:
Base-Base interactions energy: -39.607
where: short stacking energy: -37.639
Base-Backbone interact. energy: -0.724
local terms energy: -58.230964
where:
bonds (distance) C4'-P energy: -11.944
bonds (distance) P-C4' energy: -9.990
flat angles C4'-P-C4' energy: -13.309
flat angles P-C4'-P energy: -14.663
tors. eta vs tors. theta energy: -8.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -84.756365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.756365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.756365 (E_RNA)
where:
Base-Base interactions energy: -34.434
where: short stacking energy: -21.985
Base-Backbone interact. energy: -0.476
local terms energy: -49.846172
where:
bonds (distance) C4'-P energy: -12.507
bonds (distance) P-C4' energy: -16.753
flat angles C4'-P-C4' energy: -9.055
flat angles P-C4'-P energy: -7.150
tors. eta vs tors. theta energy: -4.382
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: 3
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -287.996688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.996688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.996688 (E_RNA)
where:
Base-Base interactions energy: -204.019
where: short stacking energy: -76.571
Base-Backbone interact. energy: -0.137
local terms energy: -83.840976
where:
bonds (distance) C4'-P energy: -14.546
bonds (distance) P-C4' energy: -19.027
flat angles C4'-P-C4' energy: -14.710
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: -24.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -285.810277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.810277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.810277 (E_RNA)
where:
Base-Base interactions energy: -194.991
where: short stacking energy: -79.703
Base-Backbone interact. energy: -1.136
local terms energy: -89.683873
where:
bonds (distance) C4'-P energy: -16.456
bonds (distance) P-C4' energy: -20.388
flat angles C4'-P-C4' energy: -21.163
flat angles P-C4'-P energy: -5.338
tors. eta vs tors. theta energy: -26.340
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: 317
Temperature: 1.000000
Total energy: -286.579422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.579422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.579422 (E_RNA)
where:
Base-Base interactions energy: -198.441
where: short stacking energy: -81.978
Base-Backbone interact. energy: -0.744
local terms energy: -87.394573
where:
bonds (distance) C4'-P energy: -12.569
bonds (distance) P-C4' energy: -18.485
flat angles C4'-P-C4' energy: -17.669
flat angles P-C4'-P energy: -15.413
tors. eta vs tors. theta energy: -23.258
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: 2
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -279.349687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.349687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.349687 (E_RNA)
where:
Base-Base interactions energy: -187.469
where: short stacking energy: -67.709
Base-Backbone interact. energy: -0.371
local terms energy: -91.509107
where:
bonds (distance) C4'-P energy: -17.921
bonds (distance) P-C4' energy: -19.679
flat angles C4'-P-C4' energy: -20.273
flat angles P-C4'-P energy: -13.603
tors. eta vs tors. theta energy: -20.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -264.682217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.682217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.682217 (E_RNA)
where:
Base-Base interactions energy: -177.805
where: short stacking energy: -75.855
Base-Backbone interact. energy: -0.002
local terms energy: -86.875255
where:
bonds (distance) C4'-P energy: -14.349
bonds (distance) P-C4' energy: -17.065
flat angles C4'-P-C4' energy: -17.307
flat angles P-C4'-P energy: -10.039
tors. eta vs tors. theta energy: -28.115
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: 6, replica: 1
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -263.893666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.893666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.893666 (E_RNA)
where:
Base-Base interactions energy: -181.606
where: short stacking energy: -70.308
Base-Backbone interact. energy: -0.142
local terms energy: -82.145721
where:
bonds (distance) C4'-P energy: -14.770
bonds (distance) P-C4' energy: -19.762
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -14.439
tors. eta vs tors. theta energy: -18.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -268.453063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.453063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.453063 (E_RNA)
where:
Base-Base interactions energy: -185.391
where: short stacking energy: -74.462
Base-Backbone interact. energy: -0.929
local terms energy: -82.133409
where:
bonds (distance) C4'-P energy: -18.989
bonds (distance) P-C4' energy: -13.362
flat angles C4'-P-C4' energy: -19.396
flat angles P-C4'-P energy: -7.556
tors. eta vs tors. theta energy: -22.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -103.450291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.450291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.450291 (E_RNA)
where:
Base-Base interactions energy: -31.605
where: short stacking energy: -28.174
Base-Backbone interact. energy: -0.115
local terms energy: -71.729953
where:
bonds (distance) C4'-P energy: -16.928
bonds (distance) P-C4' energy: -18.168
flat angles C4'-P-C4' energy: -21.399
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: -5.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -159.999489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.999489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.999489 (E_RNA)
where:
Base-Base interactions energy: -98.029
where: short stacking energy: -42.544
Base-Backbone interact. energy: -0.221
local terms energy: -61.749008
where:
bonds (distance) C4'-P energy: -11.388
bonds (distance) P-C4' energy: -22.932
flat angles C4'-P-C4' energy: -14.841
flat angles P-C4'-P energy: -8.892
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: 10, replica: 10
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -145.610269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.610269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.610269 (E_RNA)
where:
Base-Base interactions energy: -81.765
where: short stacking energy: -39.842
Base-Backbone interact. energy: 0.213
local terms energy: -64.057916
where:
bonds (distance) C4'-P energy: -18.781
bonds (distance) P-C4' energy: -13.710
flat angles C4'-P-C4' energy: -17.005
flat angles P-C4'-P energy: -9.596
tors. eta vs tors. theta energy: -4.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -295.404795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.404795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.404795 (E_RNA)
where:
Base-Base interactions energy: -199.028
where: short stacking energy: -86.101
Base-Backbone interact. energy: -0.598
local terms energy: -95.778685
where:
bonds (distance) C4'-P energy: -16.781
bonds (distance) P-C4' energy: -19.431
flat angles C4'-P-C4' energy: -20.288
flat angles P-C4'-P energy: -14.450
tors. eta vs tors. theta energy: -24.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -292.944559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.944559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.944559 (E_RNA)
where:
Base-Base interactions energy: -201.790
where: short stacking energy: -85.922
Base-Backbone interact. energy: -0.311
local terms energy: -90.843192
where:
bonds (distance) C4'-P energy: -18.244
bonds (distance) P-C4' energy: -17.359
flat angles C4'-P-C4' energy: -20.808
flat angles P-C4'-P energy: -7.503
tors. eta vs tors. theta energy: -26.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -284.055417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.055417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.055417 (E_RNA)
where:
Base-Base interactions energy: -190.766
where: short stacking energy: -71.969
Base-Backbone interact. energy: -0.021
local terms energy: -93.268642
where:
bonds (distance) C4'-P energy: -19.818
bonds (distance) P-C4' energy: -16.584
flat angles C4'-P-C4' energy: -20.631
flat angles P-C4'-P energy: -13.720
tors. eta vs tors. theta energy: -22.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -270.925139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.925139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.925139 (E_RNA)
where:
Base-Base interactions energy: -180.791
where: short stacking energy: -68.592
Base-Backbone interact. energy: -0.173
local terms energy: -89.960643
where:
bonds (distance) C4'-P energy: -18.529
bonds (distance) P-C4' energy: -18.431
flat angles C4'-P-C4' energy: -18.765
flat angles P-C4'-P energy: -14.392
tors. eta vs tors. theta energy: -19.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -278.675067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.675067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.675067 (E_RNA)
where:
Base-Base interactions energy: -186.189
where: short stacking energy: -78.676
Base-Backbone interact. energy: -0.160
local terms energy: -92.325669
where:
bonds (distance) C4'-P energy: -12.408
bonds (distance) P-C4' energy: -17.257
flat angles C4'-P-C4' energy: -21.395
flat angles P-C4'-P energy: -16.313
tors. eta vs tors. theta energy: -24.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -254.375691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.375691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.375691 (E_RNA)
where:
Base-Base interactions energy: -171.304
where: short stacking energy: -62.646
Base-Backbone interact. energy: -0.140
local terms energy: -82.931137
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -19.309
flat angles C4'-P-C4' energy: -16.426
flat angles P-C4'-P energy: -11.618
tors. eta vs tors. theta energy: -20.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -263.021842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.021842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.021842 (E_RNA)
where:
Base-Base interactions energy: -181.975
where: short stacking energy: -68.893
Base-Backbone interact. energy: -0.158
local terms energy: -80.888168
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -17.623
flat angles C4'-P-C4' energy: -16.917
flat angles P-C4'-P energy: -12.889
tors. eta vs tors. theta energy: -21.269
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: 7
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -97.291942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.291942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.291942 (E_RNA)
where:
Base-Base interactions energy: -31.484
where: short stacking energy: -28.859
Base-Backbone interact. energy: -0.251
local terms energy: -65.556996
where:
bonds (distance) C4'-P energy: -16.596
bonds (distance) P-C4' energy: -18.001
flat angles C4'-P-C4' energy: -17.369
flat angles P-C4'-P energy: -10.248
tors. eta vs tors. theta energy: -3.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -152.084983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.084983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.084983 (E_RNA)
where:
Base-Base interactions energy: -92.901
where: short stacking energy: -39.203
Base-Backbone interact. energy: 1.711
local terms energy: -60.894802
where:
bonds (distance) C4'-P energy: -15.781
bonds (distance) P-C4' energy: -17.872
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -8.544
tors. eta vs tors. theta energy: -6.267
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: 10, replica: 10
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -142.492816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.492816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.492816 (E_RNA)
where:
Base-Base interactions energy: -84.958
where: short stacking energy: -34.286
Base-Backbone interact. energy: -0.382
local terms energy: -57.152826
where:
bonds (distance) C4'-P energy: -13.625
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -17.339
flat angles P-C4'-P energy: -7.109
tors. eta vs tors. theta energy: -2.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -292.762487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.762487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.762487 (E_RNA)
where:
Base-Base interactions energy: -200.184
where: short stacking energy: -85.135
Base-Backbone interact. energy: -0.003
local terms energy: -92.574792
where:
bonds (distance) C4'-P energy: -19.316
bonds (distance) P-C4' energy: -16.064
flat angles C4'-P-C4' energy: -19.974
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: -26.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -287.424737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.424737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.424737 (E_RNA)
where:
Base-Base interactions energy: -202.048
where: short stacking energy: -86.471
Base-Backbone interact. energy: -0.326
local terms energy: -85.051417
where:
bonds (distance) C4'-P energy: -17.400
bonds (distance) P-C4' energy: -18.371
flat angles C4'-P-C4' energy: -13.820
flat angles P-C4'-P energy: -10.763
tors. eta vs tors. theta energy: -24.697
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: 3
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -279.882552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.882552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.882552 (E_RNA)
where:
Base-Base interactions energy: -191.938
where: short stacking energy: -78.008
Base-Backbone interact. energy: -0.183
local terms energy: -87.761873
where:
bonds (distance) C4'-P energy: -15.198
bonds (distance) P-C4' energy: -16.204
flat angles C4'-P-C4' energy: -21.579
flat angles P-C4'-P energy: -12.760
tors. eta vs tors. theta energy: -22.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -274.977961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.977961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.977961 (E_RNA)
where:
Base-Base interactions energy: -184.075
where: short stacking energy: -77.742
Base-Backbone interact. energy: -0.462
local terms energy: -90.441795
where:
bonds (distance) C4'-P energy: -19.926
bonds (distance) P-C4' energy: -12.239
flat angles C4'-P-C4' energy: -21.355
flat angles P-C4'-P energy: -14.932
tors. eta vs tors. theta energy: -21.991
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: 4
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -270.464239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.464239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.464239 (E_RNA)
where:
Base-Base interactions energy: -185.556
where: short stacking energy: -69.097
Base-Backbone interact. energy: -0.166
local terms energy: -84.742219
where:
bonds (distance) C4'-P energy: -17.523
bonds (distance) P-C4' energy: -14.646
flat angles C4'-P-C4' energy: -17.003
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: -23.437
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: 5
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -260.429255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.429255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.429255 (E_RNA)
where:
Base-Base interactions energy: -178.505
where: short stacking energy: -65.421
Base-Backbone interact. energy: -0.271
local terms energy: -81.653386
where:
bonds (distance) C4'-P energy: -12.541
bonds (distance) P-C4' energy: -18.027
flat angles C4'-P-C4' energy: -13.154
flat angles P-C4'-P energy: -13.705
tors. eta vs tors. theta energy: -24.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -253.091742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.091742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.091742 (E_RNA)
where:
Base-Base interactions energy: -173.902
where: short stacking energy: -71.603
Base-Backbone interact. energy: -1.013
local terms energy: -78.177026
where:
bonds (distance) C4'-P energy: -11.038
bonds (distance) P-C4' energy: -20.184
flat angles C4'-P-C4' energy: -16.611
flat angles P-C4'-P energy: -8.835
tors. eta vs tors. theta energy: -21.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -178.073079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.073079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.073079 (E_RNA)
where:
Base-Base interactions energy: -110.258
where: short stacking energy: -42.477
Base-Backbone interact. energy: -0.450
local terms energy: -67.365591
where:
bonds (distance) C4'-P energy: -16.670
bonds (distance) P-C4' energy: -14.404
flat angles C4'-P-C4' energy: -15.839
flat angles P-C4'-P energy: -10.941
tors. eta vs tors. theta energy: -9.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -95.678243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.678243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.678243 (E_RNA)
where:
Base-Base interactions energy: -27.320
where: short stacking energy: -22.880
Base-Backbone interact. energy: -0.278
local terms energy: -68.080500
where:
bonds (distance) C4'-P energy: -17.802
bonds (distance) P-C4' energy: -19.664
flat angles C4'-P-C4' energy: -15.602
flat angles P-C4'-P energy: -11.109
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: 10, replica: 10
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -83.228049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.228049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.228049 (E_RNA)
where:
Base-Base interactions energy: -21.613
where: short stacking energy: -20.902
Base-Backbone interact. energy: 1.620
local terms energy: -63.234851
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -12.924
flat angles C4'-P-C4' energy: -16.332
flat angles P-C4'-P energy: -12.623
tors. eta vs tors. theta energy: -4.375
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: 2
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -286.251728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.251728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.251728 (E_RNA)
where:
Base-Base interactions energy: -196.124
where: short stacking energy: -74.300
Base-Backbone interact. energy: -0.061
local terms energy: -90.066386
where:
bonds (distance) C4'-P energy: -15.599
bonds (distance) P-C4' energy: -21.152
flat angles C4'-P-C4' energy: -19.643
flat angles P-C4'-P energy: -12.311
tors. eta vs tors. theta energy: -21.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -285.602828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.602828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.602828 (E_RNA)
where:
Base-Base interactions energy: -190.224
where: short stacking energy: -85.283
Base-Backbone interact. energy: -0.124
local terms energy: -95.254238
where:
bonds (distance) C4'-P energy: -19.164
bonds (distance) P-C4' energy: -17.946
flat angles C4'-P-C4' energy: -18.533
flat angles P-C4'-P energy: -12.662
tors. eta vs tors. theta energy: -26.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -281.551325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.551325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.551325 (E_RNA)
where:
Base-Base interactions energy: -188.604
where: short stacking energy: -81.565
Base-Backbone interact. energy: -1.768
local terms energy: -91.179991
where:
bonds (distance) C4'-P energy: -15.839
bonds (distance) P-C4' energy: -19.735
flat angles C4'-P-C4' energy: -18.683
flat angles P-C4'-P energy: -12.929
tors. eta vs tors. theta energy: -23.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -274.063389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.063389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.063389 (E_RNA)
where:
Base-Base interactions energy: -187.930
where: short stacking energy: -68.876
Base-Backbone interact. energy: -1.190
local terms energy: -84.943760
where:
bonds (distance) C4'-P energy: -15.289
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -20.214
flat angles P-C4'-P energy: -9.933
tors. eta vs tors. theta energy: -22.115
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: 5
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -278.031778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.031778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.031778 (E_RNA)
where:
Base-Base interactions energy: -192.865
where: short stacking energy: -74.397
Base-Backbone interact. energy: -0.006
local terms energy: -85.161034
where:
bonds (distance) C4'-P energy: -15.575
bonds (distance) P-C4' energy: -13.201
flat angles C4'-P-C4' energy: -18.727
flat angles P-C4'-P energy: -14.092
tors. eta vs tors. theta energy: -23.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -263.487410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.487410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.487410 (E_RNA)
where:
Base-Base interactions energy: -185.097
where: short stacking energy: -79.353
Base-Backbone interact. energy: -0.447
local terms energy: -77.943826
where:
bonds (distance) C4'-P energy: -16.427
bonds (distance) P-C4' energy: -15.351
flat angles C4'-P-C4' energy: -16.279
flat angles P-C4'-P energy: -8.737
tors. eta vs tors. theta energy: -21.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -258.036294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.036294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.036294 (E_RNA)
where:
Base-Base interactions energy: -175.771
where: short stacking energy: -73.911
Base-Backbone interact. energy: -0.106
local terms energy: -82.158873
where:
bonds (distance) C4'-P energy: -16.194
bonds (distance) P-C4' energy: -13.304
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -13.896
tors. eta vs tors. theta energy: -22.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 320
Temperature: 1.250000
Total energy: -151.419165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.419165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.419165 (E_RNA)
where:
Base-Base interactions energy: -90.382
where: short stacking energy: -36.421
Base-Backbone interact. energy: -0.520
local terms energy: -60.517032
where:
bonds (distance) C4'-P energy: -13.252
bonds (distance) P-C4' energy: -16.977
flat angles C4'-P-C4' energy: -19.588
flat angles P-C4'-P energy: -8.739
tors. eta vs tors. theta energy: -1.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -100.729101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.729101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.729101 (E_RNA)
where:
Base-Base interactions energy: -37.373
where: short stacking energy: -28.630
Base-Backbone interact. energy: 0.058
local terms energy: -63.414136
where:
bonds (distance) C4'-P energy: -18.782
bonds (distance) P-C4' energy: -21.509
flat angles C4'-P-C4' energy: -12.929
flat angles P-C4'-P energy: -5.746
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: 10, replica: 10
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -79.792177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.792177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.792177 (E_RNA)
where:
Base-Base interactions energy: -30.470
where: short stacking energy: -14.249
Base-Backbone interact. energy: -0.799
local terms energy: -48.523701
where:
bonds (distance) C4'-P energy: -11.159
bonds (distance) P-C4' energy: -18.571
flat angles C4'-P-C4' energy: -11.278
flat angles P-C4'-P energy: -12.071
tors. eta vs tors. theta energy: 4.556
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: 2
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -290.247771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.247771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.247771 (E_RNA)
where:
Base-Base interactions energy: -194.928
where: short stacking energy: -72.683
Base-Backbone interact. energy: -0.105
local terms energy: -95.214859
where:
bonds (distance) C4'-P energy: -15.906
bonds (distance) P-C4' energy: -21.965
flat angles C4'-P-C4' energy: -22.829
flat angles P-C4'-P energy: -12.933
tors. eta vs tors. theta energy: -21.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -284.857849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.857849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.857849 (E_RNA)
where:
Base-Base interactions energy: -191.646
where: short stacking energy: -74.151
Base-Backbone interact. energy: -2.532
local terms energy: -90.680116
where:
bonds (distance) C4'-P energy: -15.756
bonds (distance) P-C4' energy: -15.314
flat angles C4'-P-C4' energy: -19.426
flat angles P-C4'-P energy: -13.918
tors. eta vs tors. theta energy: -26.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -282.083166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.083166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.083166 (E_RNA)
where:
Base-Base interactions energy: -197.797
where: short stacking energy: -83.621
Base-Backbone interact. energy: -0.189
local terms energy: -84.096866
where:
bonds (distance) C4'-P energy: -15.166
bonds (distance) P-C4' energy: -13.845
flat angles C4'-P-C4' energy: -16.528
flat angles P-C4'-P energy: -13.020
tors. eta vs tors. theta energy: -25.538
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: 5
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -277.633383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.633383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.633383 (E_RNA)
where:
Base-Base interactions energy: -187.501
where: short stacking energy: -73.311
Base-Backbone interact. energy: -0.577
local terms energy: -89.554727
where:
bonds (distance) C4'-P energy: -14.274
bonds (distance) P-C4' energy: -16.070
flat angles C4'-P-C4' energy: -18.344
flat angles P-C4'-P energy: -14.159
tors. eta vs tors. theta energy: -26.708
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: 5, replica: 3
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -270.851052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.851052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.851052 (E_RNA)
where:
Base-Base interactions energy: -181.653
where: short stacking energy: -69.933
Base-Backbone interact. energy: -0.203
local terms energy: -88.995310
where:
bonds (distance) C4'-P energy: -15.317
bonds (distance) P-C4' energy: -18.327
flat angles C4'-P-C4' energy: -20.227
flat angles P-C4'-P energy: -10.821
tors. eta vs tors. theta energy: -24.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -266.957375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.957375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.957375 (E_RNA)
where:
Base-Base interactions energy: -181.087
where: short stacking energy: -75.919
Base-Backbone interact. energy: -0.256
local terms energy: -85.614952
where:
bonds (distance) C4'-P energy: -20.529
bonds (distance) P-C4' energy: -15.504
flat angles C4'-P-C4' energy: -12.363
flat angles P-C4'-P energy: -13.964
tors. eta vs tors. theta energy: -23.255
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: 321
Temperature: 1.200000
Total energy: -237.756636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.756636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.756636 (E_RNA)
where:
Base-Base interactions energy: -162.493
where: short stacking energy: -61.316
Base-Backbone interact. energy: -0.082
local terms energy: -75.181384
where:
bonds (distance) C4'-P energy: -12.875
bonds (distance) P-C4' energy: -17.110
flat angles C4'-P-C4' energy: -14.946
flat angles P-C4'-P energy: -12.758
tors. eta vs tors. theta energy: -17.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -135.052077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.052077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.052077 (E_RNA)
where:
Base-Base interactions energy: -76.784
where: short stacking energy: -35.922
Base-Backbone interact. energy: 0.245
local terms energy: -58.512670
where:
bonds (distance) C4'-P energy: -11.981
bonds (distance) P-C4' energy: -18.889
flat angles C4'-P-C4' energy: -15.455
flat angles P-C4'-P energy: -8.484
tors. eta vs tors. theta energy: -3.704
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: 7
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -98.235021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.235021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.235021 (E_RNA)
where:
Base-Base interactions energy: -43.323
where: short stacking energy: -21.838
Base-Backbone interact. energy: 1.315
local terms energy: -56.227116
where:
bonds (distance) C4'-P energy: -15.283
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -17.297
flat angles P-C4'-P energy: -11.078
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: 10, replica: 10
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -94.149996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.149996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.149996 (E_RNA)
where:
Base-Base interactions energy: -40.024
where: short stacking energy: -38.726
Base-Backbone interact. energy: -0.193
local terms energy: -53.932974
where:
bonds (distance) C4'-P energy: -15.318
bonds (distance) P-C4' energy: -19.774
flat angles C4'-P-C4' energy: -4.593
flat angles P-C4'-P energy: -8.183
tors. eta vs tors. theta energy: -6.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -289.528785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.528785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.528785 (E_RNA)
where:
Base-Base interactions energy: -196.657
where: short stacking energy: -83.979
Base-Backbone interact. energy: -0.833
local terms energy: -92.038402
where:
bonds (distance) C4'-P energy: -22.798
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -16.666
flat angles P-C4'-P energy: -13.166
tors. eta vs tors. theta energy: -22.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -287.433499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.433499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.433499 (E_RNA)
where:
Base-Base interactions energy: -197.380
where: short stacking energy: -75.664
Base-Backbone interact. energy: -0.179
local terms energy: -89.874944
where:
bonds (distance) C4'-P energy: -19.386
bonds (distance) P-C4' energy: -18.909
flat angles C4'-P-C4' energy: -16.192
flat angles P-C4'-P energy: -12.652
tors. eta vs tors. theta energy: -22.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -284.822997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.822997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.822997 (E_RNA)
where:
Base-Base interactions energy: -202.265
where: short stacking energy: -80.006
Base-Backbone interact. energy: -1.803
local terms energy: -80.754644
where:
bonds (distance) C4'-P energy: -17.876
bonds (distance) P-C4' energy: -17.747
flat angles C4'-P-C4' energy: -16.724
flat angles P-C4'-P energy: -8.355
tors. eta vs tors. theta energy: -20.053
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -279.182708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.182708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.182708 (E_RNA)
where:
Base-Base interactions energy: -186.891
where: short stacking energy: -82.559
Base-Backbone interact. energy: -0.102
local terms energy: -92.189803
where:
bonds (distance) C4'-P energy: -14.084
bonds (distance) P-C4' energy: -19.893
flat angles C4'-P-C4' energy: -20.327
flat angles P-C4'-P energy: -10.706
tors. eta vs tors. theta energy: -27.179
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: 3
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -269.720572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.720572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.720572 (E_RNA)
where:
Base-Base interactions energy: -187.615
where: short stacking energy: -77.602
Base-Backbone interact. energy: -0.171
local terms energy: -81.934040
where:
bonds (distance) C4'-P energy: -16.460
bonds (distance) P-C4' energy: -16.511
flat angles C4'-P-C4' energy: -18.904
flat angles P-C4'-P energy: -9.022
tors. eta vs tors. theta energy: -21.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -270.075521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.075521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.075521 (E_RNA)
where:
Base-Base interactions energy: -184.850
where: short stacking energy: -74.844
Base-Backbone interact. energy: -0.076
local terms energy: -85.148684
where:
bonds (distance) C4'-P energy: -13.478
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -20.159
flat angles P-C4'-P energy: -13.737
tors. eta vs tors. theta energy: -22.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -246.819913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.819913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.819913 (E_RNA)
where:
Base-Base interactions energy: -168.173
where: short stacking energy: -69.844
Base-Backbone interact. energy: -0.002
local terms energy: -78.645515
where:
bonds (distance) C4'-P energy: -16.911
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -17.718
flat angles P-C4'-P energy: -11.819
tors. eta vs tors. theta energy: -20.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -97.261130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.261130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.261130 (E_RNA)
where:
Base-Base interactions energy: -39.238
where: short stacking energy: -24.114
Base-Backbone interact. energy: -0.056
local terms energy: -57.967303
where:
bonds (distance) C4'-P energy: -19.672
bonds (distance) P-C4' energy: -16.764
flat angles C4'-P-C4' energy: -13.492
flat angles P-C4'-P energy: -9.035
tors. eta vs tors. theta energy: 0.995
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: 9, replica: 10
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -102.901213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.901213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.901213 (E_RNA)
where:
Base-Base interactions energy: -40.853
where: short stacking energy: -28.099
Base-Backbone interact. energy: 0.063
local terms energy: -62.110355
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -17.808
flat angles C4'-P-C4' energy: -18.001
flat angles P-C4'-P energy: -12.545
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: 10, replica: 7
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -87.617936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.617936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.617936 (E_RNA)
where:
Base-Base interactions energy: -30.404
where: short stacking energy: -19.750
Base-Backbone interact. energy: 2.919
local terms energy: -60.133113
where:
bonds (distance) C4'-P energy: -13.450
bonds (distance) P-C4' energy: -21.998
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -8.128
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: 1
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -289.086981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.086981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.086981 (E_RNA)
where:
Base-Base interactions energy: -195.629
where: short stacking energy: -81.956
Base-Backbone interact. energy: -0.093
local terms energy: -93.365964
where:
bonds (distance) C4'-P energy: -15.781
bonds (distance) P-C4' energy: -20.591
flat angles C4'-P-C4' energy: -19.433
flat angles P-C4'-P energy: -16.350
tors. eta vs tors. theta energy: -21.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -299.943797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.943797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.943797 (E_RNA)
where:
Base-Base interactions energy: -202.585
where: short stacking energy: -70.616
Base-Backbone interact. energy: -0.145
local terms energy: -97.214226
where:
bonds (distance) C4'-P energy: -19.473
bonds (distance) P-C4' energy: -18.826
flat angles C4'-P-C4' energy: -20.407
flat angles P-C4'-P energy: -15.303
tors. eta vs tors. theta energy: -23.206
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: 2
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -276.005862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.005862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.005862 (E_RNA)
where:
Base-Base interactions energy: -195.227
where: short stacking energy: -70.362
Base-Backbone interact. energy: -0.231
local terms energy: -80.548048
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -16.063
flat angles C4'-P-C4' energy: -17.583
flat angles P-C4'-P energy: -12.893
tors. eta vs tors. theta energy: -20.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -277.251890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.251890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.251890 (E_RNA)
where:
Base-Base interactions energy: -183.465
where: short stacking energy: -71.190
Base-Backbone interact. energy: -0.501
local terms energy: -93.285438
where:
bonds (distance) C4'-P energy: -16.440
bonds (distance) P-C4' energy: -16.955
flat angles C4'-P-C4' energy: -19.511
flat angles P-C4'-P energy: -14.836
tors. eta vs tors. theta energy: -25.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -274.090082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.090082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.090082 (E_RNA)
where:
Base-Base interactions energy: -179.280
where: short stacking energy: -78.449
Base-Backbone interact. energy: -0.611
local terms energy: -94.199157
where:
bonds (distance) C4'-P energy: -16.159
bonds (distance) P-C4' energy: -16.037
flat angles C4'-P-C4' energy: -22.772
flat angles P-C4'-P energy: -13.900
tors. eta vs tors. theta energy: -25.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -260.233149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.233149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.233149 (E_RNA)
where:
Base-Base interactions energy: -185.274
where: short stacking energy: -68.045
Base-Backbone interact. energy: -0.097
local terms energy: -74.861718
where:
bonds (distance) C4'-P energy: -10.590
bonds (distance) P-C4' energy: -18.660
flat angles C4'-P-C4' energy: -15.629
flat angles P-C4'-P energy: -8.098
tors. eta vs tors. theta energy: -21.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -206.537260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.537260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.537260 (E_RNA)
where:
Base-Base interactions energy: -132.477
where: short stacking energy: -57.048
Base-Backbone interact. energy: -0.030
local terms energy: -74.030275
where:
bonds (distance) C4'-P energy: -13.807
bonds (distance) P-C4' energy: -15.952
flat angles C4'-P-C4' energy: -17.760
flat angles P-C4'-P energy: -12.600
tors. eta vs tors. theta energy: -13.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -132.968632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.968632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.968632 (E_RNA)
where:
Base-Base interactions energy: -71.286
where: short stacking energy: -35.107
Base-Backbone interact. energy: 1.175
local terms energy: -62.858009
where:
bonds (distance) C4'-P energy: -14.490
bonds (distance) P-C4' energy: -18.543
flat angles C4'-P-C4' energy: -16.404
flat angles P-C4'-P energy: -11.050
tors. eta vs tors. theta energy: -2.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -90.019945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.019945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.019945 (E_RNA)
where:
Base-Base interactions energy: -38.252
where: short stacking energy: -38.252
Base-Backbone interact. energy: -0.152
local terms energy: -51.616143
where:
bonds (distance) C4'-P energy: -12.600
bonds (distance) P-C4' energy: -11.879
flat angles C4'-P-C4' energy: -12.432
flat angles P-C4'-P energy: -10.402
tors. eta vs tors. theta energy: -4.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -85.459656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.459656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.459656 (E_RNA)
where:
Base-Base interactions energy: -43.139
where: short stacking energy: -20.448
Base-Backbone interact. energy: -0.022
local terms energy: -42.298053
where:
bonds (distance) C4'-P energy: -20.186
bonds (distance) P-C4' energy: -12.300
flat angles C4'-P-C4' energy: -5.286
flat angles P-C4'-P energy: -11.084
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: 1, replica: 5
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -296.395410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.395410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.395410 (E_RNA)
where:
Base-Base interactions energy: -201.512
where: short stacking energy: -76.152
Base-Backbone interact. energy: -0.597
local terms energy: -94.286520
where:
bonds (distance) C4'-P energy: -19.815
bonds (distance) P-C4' energy: -20.115
flat angles C4'-P-C4' energy: -22.811
flat angles P-C4'-P energy: -11.546
tors. eta vs tors. theta energy: -19.999
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: 1
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -280.760152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.760152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.760152 (E_RNA)
where:
Base-Base interactions energy: -184.357
where: short stacking energy: -79.300
Base-Backbone interact. energy: -0.045
local terms energy: -96.357662
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -20.461
flat angles C4'-P-C4' energy: -21.303
flat angles P-C4'-P energy: -14.480
tors. eta vs tors. theta energy: -24.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -277.548802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.548802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.548802 (E_RNA)
where:
Base-Base interactions energy: -190.763
where: short stacking energy: -74.432
Base-Backbone interact. energy: -0.650
local terms energy: -86.135835
where:
bonds (distance) C4'-P energy: -13.889
bonds (distance) P-C4' energy: -15.560
flat angles C4'-P-C4' energy: -17.219
flat angles P-C4'-P energy: -12.206
tors. eta vs tors. theta energy: -27.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -275.645874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.645874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.645874 (E_RNA)
where:
Base-Base interactions energy: -183.866
where: short stacking energy: -80.034
Base-Backbone interact. energy: -0.814
local terms energy: -90.966470
where:
bonds (distance) C4'-P energy: -20.974
bonds (distance) P-C4' energy: -14.029
flat angles C4'-P-C4' energy: -18.583
flat angles P-C4'-P energy: -14.490
tors. eta vs tors. theta energy: -22.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -272.709089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.709089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.709089 (E_RNA)
where:
Base-Base interactions energy: -190.464
where: short stacking energy: -74.972
Base-Backbone interact. energy: -0.834
local terms energy: -81.410750
where:
bonds (distance) C4'-P energy: -15.894
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -19.205
flat angles P-C4'-P energy: -10.406
tors. eta vs tors. theta energy: -17.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -267.191391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.191391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.191391 (E_RNA)
where:
Base-Base interactions energy: -168.403
where: short stacking energy: -74.725
Base-Backbone interact. energy: -1.400
local terms energy: -97.388165
where:
bonds (distance) C4'-P energy: -17.757
bonds (distance) P-C4' energy: -19.918
flat angles C4'-P-C4' energy: -19.514
flat angles P-C4'-P energy: -16.572
tors. eta vs tors. theta energy: -23.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -185.594517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.594517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.594517 (E_RNA)
where:
Base-Base interactions energy: -120.499
where: short stacking energy: -49.028
Base-Backbone interact. energy: -0.141
local terms energy: -64.954878
where:
bonds (distance) C4'-P energy: -15.276
bonds (distance) P-C4' energy: -12.632
flat angles C4'-P-C4' energy: -12.280
flat angles P-C4'-P energy: -14.395
tors. eta vs tors. theta energy: -10.373
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: 324
Temperature: 1.250000
Total energy: -182.806847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.806847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.806847 (E_RNA)
where:
Base-Base interactions energy: -106.288
where: short stacking energy: -39.710
Base-Backbone interact. energy: -0.425
local terms energy: -76.094188
where:
bonds (distance) C4'-P energy: -17.867
bonds (distance) P-C4' energy: -19.989
flat angles C4'-P-C4' energy: -14.963
flat angles P-C4'-P energy: -12.432
tors. eta vs tors. theta energy: -10.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -84.607994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.607994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.607994 (E_RNA)
where:
Base-Base interactions energy: -29.781
where: short stacking energy: -24.568
Base-Backbone interact. energy: -0.845
local terms energy: -53.981206
where:
bonds (distance) C4'-P energy: -15.552
bonds (distance) P-C4' energy: -13.856
flat angles C4'-P-C4' energy: -16.978
flat angles P-C4'-P energy: -11.372
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: 10, replica: 10
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -87.598132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.598132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.598132 (E_RNA)
where:
Base-Base interactions energy: -26.456
where: short stacking energy: -24.246
Base-Backbone interact. energy: -0.450
local terms energy: -60.692211
where:
bonds (distance) C4'-P energy: -14.453
bonds (distance) P-C4' energy: -21.071
flat angles C4'-P-C4' energy: -14.033
flat angles P-C4'-P energy: -9.369
tors. eta vs tors. theta energy: -1.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -292.292066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.292066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.292066 (E_RNA)
where:
Base-Base interactions energy: -204.260
where: short stacking energy: -81.749
Base-Backbone interact. energy: -1.035
local terms energy: -86.996945
where:
bonds (distance) C4'-P energy: -15.519
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -20.492
flat angles P-C4'-P energy: -10.677
tors. eta vs tors. theta energy: -21.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -281.907598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.907598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.907598 (E_RNA)
where:
Base-Base interactions energy: -192.666
where: short stacking energy: -82.836
Base-Backbone interact. energy: -0.261
local terms energy: -88.980848
where:
bonds (distance) C4'-P energy: -19.941
bonds (distance) P-C4' energy: -21.215
flat angles C4'-P-C4' energy: -12.827
flat angles P-C4'-P energy: -14.982
tors. eta vs tors. theta energy: -20.016
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -286.675932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.675932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.675932 (E_RNA)
where:
Base-Base interactions energy: -187.936
where: short stacking energy: -78.889
Base-Backbone interact. energy: -2.338
local terms energy: -96.402120
where:
bonds (distance) C4'-P energy: -21.309
bonds (distance) P-C4' energy: -18.832
flat angles C4'-P-C4' energy: -20.523
flat angles P-C4'-P energy: -9.020
tors. eta vs tors. theta energy: -26.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -281.211556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.211556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.211556 (E_RNA)
where:
Base-Base interactions energy: -190.670
where: short stacking energy: -75.969
Base-Backbone interact. energy: -0.534
local terms energy: -90.007000
where:
bonds (distance) C4'-P energy: -17.755
bonds (distance) P-C4' energy: -15.708
flat angles C4'-P-C4' energy: -19.382
flat angles P-C4'-P energy: -11.292
tors. eta vs tors. theta energy: -25.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -274.955418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.955418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.955418 (E_RNA)
where:
Base-Base interactions energy: -177.679
where: short stacking energy: -72.799
Base-Backbone interact. energy: -0.990
local terms energy: -96.286471
where:
bonds (distance) C4'-P energy: -13.693
bonds (distance) P-C4' energy: -21.402
flat angles C4'-P-C4' energy: -21.950
flat angles P-C4'-P energy: -12.333
tors. eta vs tors. theta energy: -26.908
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: 3
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -280.251649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.251649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.251649 (E_RNA)
where:
Base-Base interactions energy: -201.001
where: short stacking energy: -77.106
Base-Backbone interact. energy: -1.088
local terms energy: -78.162671
where:
bonds (distance) C4'-P energy: -14.497
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -17.620
flat angles P-C4'-P energy: -7.719
tors. eta vs tors. theta energy: -21.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -188.726578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.726578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.726578 (E_RNA)
where:
Base-Base interactions energy: -116.877
where: short stacking energy: -55.702
Base-Backbone interact. energy: -0.044
local terms energy: -71.805569
where:
bonds (distance) C4'-P energy: -12.290
bonds (distance) P-C4' energy: -18.151
flat angles C4'-P-C4' energy: -16.262
flat angles P-C4'-P energy: -12.895
tors. eta vs tors. theta energy: -12.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -153.472406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.472406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.472406 (E_RNA)
where:
Base-Base interactions energy: -90.011
where: short stacking energy: -35.511
Base-Backbone interact. energy: -1.394
local terms energy: -62.066796
where:
bonds (distance) C4'-P energy: -9.166
bonds (distance) P-C4' energy: -20.355
flat angles C4'-P-C4' energy: -10.528
flat angles P-C4'-P energy: -11.462
tors. eta vs tors. theta energy: -10.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -106.741739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.741739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.741739 (E_RNA)
where:
Base-Base interactions energy: -41.399
where: short stacking energy: -32.451
Base-Backbone interact. energy: -0.065
local terms energy: -65.278480
where:
bonds (distance) C4'-P energy: -14.710
bonds (distance) P-C4' energy: -14.612
flat angles C4'-P-C4' energy: -17.549
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: -8.328
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: 10
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -81.043924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.043924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.043924 (E_RNA)
where:
Base-Base interactions energy: -22.127
where: short stacking energy: -22.127
Base-Backbone interact. energy: 0.769
local terms energy: -59.685415
where:
bonds (distance) C4'-P energy: -14.601
bonds (distance) P-C4' energy: -21.958
flat angles C4'-P-C4' energy: -10.630
flat angles P-C4'-P energy: -11.699
tors. eta vs tors. theta energy: -0.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -296.694781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.694781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.694781 (E_RNA)
where:
Base-Base interactions energy: -199.177
where: short stacking energy: -78.567
Base-Backbone interact. energy: -0.057
local terms energy: -97.460872
where:
bonds (distance) C4'-P energy: -17.307
bonds (distance) P-C4' energy: -21.976
flat angles C4'-P-C4' energy: -19.464
flat angles P-C4'-P energy: -14.025
tors. eta vs tors. theta energy: -24.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -287.894360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.894360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.894360 (E_RNA)
where:
Base-Base interactions energy: -200.928
where: short stacking energy: -74.942
Base-Backbone interact. energy: -0.277
local terms energy: -86.689099
where:
bonds (distance) C4'-P energy: -19.698
bonds (distance) P-C4' energy: -19.049
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -10.278
tors. eta vs tors. theta energy: -22.678
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: 4
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -289.207121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.207121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.207121 (E_RNA)
where:
Base-Base interactions energy: -198.819
where: short stacking energy: -75.218
Base-Backbone interact. energy: -0.527
local terms energy: -89.860681
where:
bonds (distance) C4'-P energy: -11.964
bonds (distance) P-C4' energy: -18.597
flat angles C4'-P-C4' energy: -21.368
flat angles P-C4'-P energy: -14.427
tors. eta vs tors. theta energy: -23.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -279.085719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.085719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.085719 (E_RNA)
where:
Base-Base interactions energy: -188.815
where: short stacking energy: -78.523
Base-Backbone interact. energy: -1.775
local terms energy: -88.495537
where:
bonds (distance) C4'-P energy: -17.419
bonds (distance) P-C4' energy: -19.012
flat angles C4'-P-C4' energy: -16.799
flat angles P-C4'-P energy: -12.787
tors. eta vs tors. theta energy: -22.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -277.882634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.882634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.882634 (E_RNA)
where:
Base-Base interactions energy: -184.968
where: short stacking energy: -86.023
Base-Backbone interact. energy: -0.091
local terms energy: -92.823660
where:
bonds (distance) C4'-P energy: -14.602
bonds (distance) P-C4' energy: -18.826
flat angles C4'-P-C4' energy: -21.794
flat angles P-C4'-P energy: -11.194
tors. eta vs tors. theta energy: -26.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -276.519076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.519076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.519076 (E_RNA)
where:
Base-Base interactions energy: -192.657
where: short stacking energy: -80.780
Base-Backbone interact. energy: -0.089
local terms energy: -83.773194
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -13.029
flat angles C4'-P-C4' energy: -17.584
flat angles P-C4'-P energy: -12.992
tors. eta vs tors. theta energy: -25.255
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: 326
Temperature: 1.200000
Total energy: -177.469391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.469391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.469391 (E_RNA)
where:
Base-Base interactions energy: -105.183
where: short stacking energy: -45.826
Base-Backbone interact. energy: -0.297
local terms energy: -71.989559
where:
bonds (distance) C4'-P energy: -14.261
bonds (distance) P-C4' energy: -21.437
flat angles C4'-P-C4' energy: -15.266
flat angles P-C4'-P energy: -14.731
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: 8, replica: 6
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -173.283455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.283455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.283455 (E_RNA)
where:
Base-Base interactions energy: -97.556
where: short stacking energy: -45.014
Base-Backbone interact. energy: -0.228
local terms energy: -75.500239
where:
bonds (distance) C4'-P energy: -13.152
bonds (distance) P-C4' energy: -18.815
flat angles C4'-P-C4' energy: -18.161
flat angles P-C4'-P energy: -9.618
tors. eta vs tors. theta energy: -15.755
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: 10
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -95.486911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.486911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.486911 (E_RNA)
where:
Base-Base interactions energy: -43.452
where: short stacking energy: -31.948
Base-Backbone interact. energy: 1.346
local terms energy: -53.380841
where:
bonds (distance) C4'-P energy: -8.954
bonds (distance) P-C4' energy: -16.810
flat angles C4'-P-C4' energy: -13.086
flat angles P-C4'-P energy: -10.499
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: 10, replica: 7
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -83.106011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.106011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.106011 (E_RNA)
where:
Base-Base interactions energy: -33.542
where: short stacking energy: -30.441
Base-Backbone interact. energy: -0.024
local terms energy: -49.540487
where:
bonds (distance) C4'-P energy: -18.431
bonds (distance) P-C4' energy: -12.163
flat angles C4'-P-C4' energy: -9.894
flat angles P-C4'-P energy: -8.506
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: 2
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -289.262012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.262012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.262012 (E_RNA)
where:
Base-Base interactions energy: -198.384
where: short stacking energy: -81.800
Base-Backbone interact. energy: -0.208
local terms energy: -90.669766
where:
bonds (distance) C4'-P energy: -17.309
bonds (distance) P-C4' energy: -19.217
flat angles C4'-P-C4' energy: -17.360
flat angles P-C4'-P energy: -15.800
tors. eta vs tors. theta energy: -20.984
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: 5
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -279.904223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.904223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.904223 (E_RNA)
where:
Base-Base interactions energy: -196.048
where: short stacking energy: -74.728
Base-Backbone interact. energy: -0.788
local terms energy: -83.068397
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -17.132
flat angles C4'-P-C4' energy: -19.040
flat angles P-C4'-P energy: -12.676
tors. eta vs tors. theta energy: -19.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -282.798313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.798313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.798313 (E_RNA)
where:
Base-Base interactions energy: -185.360
where: short stacking energy: -74.544
Base-Backbone interact. energy: -0.054
local terms energy: -97.384422
where:
bonds (distance) C4'-P energy: -18.472
bonds (distance) P-C4' energy: -20.594
flat angles C4'-P-C4' energy: -20.713
flat angles P-C4'-P energy: -12.179
tors. eta vs tors. theta energy: -25.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -286.121277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.121277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.121277 (E_RNA)
where:
Base-Base interactions energy: -194.993
where: short stacking energy: -82.687
Base-Backbone interact. energy: -1.351
local terms energy: -89.776773
where:
bonds (distance) C4'-P energy: -13.468
bonds (distance) P-C4' energy: -19.172
flat angles C4'-P-C4' energy: -16.767
flat angles P-C4'-P energy: -14.818
tors. eta vs tors. theta energy: -25.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -278.685695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.685695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.685695 (E_RNA)
where:
Base-Base interactions energy: -196.197
where: short stacking energy: -81.134
Base-Backbone interact. energy: -1.675
local terms energy: -80.813477
where:
bonds (distance) C4'-P energy: -10.563
bonds (distance) P-C4' energy: -16.119
flat angles C4'-P-C4' energy: -17.800
flat angles P-C4'-P energy: -11.295
tors. eta vs tors. theta energy: -25.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -264.254466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.254466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.254466 (E_RNA)
where:
Base-Base interactions energy: -182.060
where: short stacking energy: -68.584
Base-Backbone interact. energy: -0.147
local terms energy: -82.047857
where:
bonds (distance) C4'-P energy: -18.013
bonds (distance) P-C4' energy: -18.885
flat angles C4'-P-C4' energy: -7.577
flat angles P-C4'-P energy: -10.859
tors. eta vs tors. theta energy: -26.714
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: 9
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -167.643465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.643465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.643465 (E_RNA)
where:
Base-Base interactions energy: -98.164
where: short stacking energy: -37.730
Base-Backbone interact. energy: -0.348
local terms energy: -69.131551
where:
bonds (distance) C4'-P energy: -13.736
bonds (distance) P-C4' energy: -20.373
flat angles C4'-P-C4' energy: -15.745
flat angles P-C4'-P energy: -8.604
tors. eta vs tors. theta energy: -10.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -157.230392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.230392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.230392 (E_RNA)
where:
Base-Base interactions energy: -98.114
where: short stacking energy: -37.555
Base-Backbone interact. energy: -0.514
local terms energy: -58.601869
where:
bonds (distance) C4'-P energy: -12.134
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -14.976
flat angles P-C4'-P energy: -11.972
tors. eta vs tors. theta energy: -4.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -97.013702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.013702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.013702 (E_RNA)
where:
Base-Base interactions energy: -35.832
where: short stacking energy: -33.304
Base-Backbone interact. energy: -0.191
local terms energy: -60.991053
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -18.650
flat angles C4'-P-C4' energy: -14.295
flat angles P-C4'-P energy: -9.775
tors. eta vs tors. theta energy: -2.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -95.853161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.853161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.853161 (E_RNA)
where:
Base-Base interactions energy: -29.197
where: short stacking energy: -29.094
Base-Backbone interact. energy: -0.194
local terms energy: -66.462480
where:
bonds (distance) C4'-P energy: -18.304
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -19.137
flat angles P-C4'-P energy: -10.552
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: 1, replica: 5
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -294.882419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.882419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.882419 (E_RNA)
where:
Base-Base interactions energy: -197.890
where: short stacking energy: -74.470
Base-Backbone interact. energy: -0.679
local terms energy: -96.313615
where:
bonds (distance) C4'-P energy: -18.969
bonds (distance) P-C4' energy: -21.665
flat angles C4'-P-C4' energy: -20.091
flat angles P-C4'-P energy: -14.587
tors. eta vs tors. theta energy: -21.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -294.810677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.810677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.810677 (E_RNA)
where:
Base-Base interactions energy: -203.761
where: short stacking energy: -75.852
Base-Backbone interact. energy: -0.181
local terms energy: -90.868944
where:
bonds (distance) C4'-P energy: -18.514
bonds (distance) P-C4' energy: -20.151
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -16.439
tors. eta vs tors. theta energy: -20.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -287.330960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.330960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.330960 (E_RNA)
where:
Base-Base interactions energy: -198.281
where: short stacking energy: -79.048
Base-Backbone interact. energy: -0.048
local terms energy: -89.001542
where:
bonds (distance) C4'-P energy: -14.401
bonds (distance) P-C4' energy: -20.025
flat angles C4'-P-C4' energy: -20.263
flat angles P-C4'-P energy: -11.168
tors. eta vs tors. theta energy: -23.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 328
Temperature: 1.050000
Total energy: -281.905673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.905673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.905673 (E_RNA)
where:
Base-Base interactions energy: -193.033
where: short stacking energy: -74.978
Base-Backbone interact. energy: -0.071
local terms energy: -88.802054
where:
bonds (distance) C4'-P energy: -11.141
bonds (distance) P-C4' energy: -19.236
flat angles C4'-P-C4' energy: -20.916
flat angles P-C4'-P energy: -13.718
tors. eta vs tors. theta energy: -23.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -266.207536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.207536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.207536 (E_RNA)
where:
Base-Base interactions energy: -178.455
where: short stacking energy: -75.977
Base-Backbone interact. energy: -0.262
local terms energy: -87.491243
where:
bonds (distance) C4'-P energy: -14.764
bonds (distance) P-C4' energy: -18.047
flat angles C4'-P-C4' energy: -17.984
flat angles P-C4'-P energy: -12.258
tors. eta vs tors. theta energy: -24.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -252.224288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.224288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.224288 (E_RNA)
where:
Base-Base interactions energy: -174.916
where: short stacking energy: -67.901
Base-Backbone interact. energy: -0.172
local terms energy: -77.135399
where:
bonds (distance) C4'-P energy: -10.721
bonds (distance) P-C4' energy: -17.375
flat angles C4'-P-C4' energy: -16.658
flat angles P-C4'-P energy: -10.356
tors. eta vs tors. theta energy: -22.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -162.303881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.303881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.303881 (E_RNA)
where:
Base-Base interactions energy: -95.791
where: short stacking energy: -48.982
Base-Backbone interact. energy: -0.771
local terms energy: -65.742077
where:
bonds (distance) C4'-P energy: -16.100
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -13.171
flat angles P-C4'-P energy: -9.448
tors. eta vs tors. theta energy: -9.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -180.958859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.958859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.958859 (E_RNA)
where:
Base-Base interactions energy: -113.625
where: short stacking energy: -50.133
Base-Backbone interact. energy: -0.194
local terms energy: -67.139827
where:
bonds (distance) C4'-P energy: -15.644
bonds (distance) P-C4' energy: -13.664
flat angles C4'-P-C4' energy: -15.313
flat angles P-C4'-P energy: -12.079
tors. eta vs tors. theta energy: -10.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -99.797094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.797094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.797094 (E_RNA)
where:
Base-Base interactions energy: -34.414
where: short stacking energy: -33.488
Base-Backbone interact. energy: 1.500
local terms energy: -66.883222
where:
bonds (distance) C4'-P energy: -20.285
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -13.847
flat angles P-C4'-P energy: -13.738
tors. eta vs tors. theta energy: -2.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -86.590379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.590379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.590379 (E_RNA)
where:
Base-Base interactions energy: -32.479
where: short stacking energy: -31.578
Base-Backbone interact. energy: -0.121
local terms energy: -53.990971
where:
bonds (distance) C4'-P energy: -8.963
bonds (distance) P-C4' energy: -18.566
flat angles C4'-P-C4' energy: -12.235
flat angles P-C4'-P energy: -9.877
tors. eta vs tors. theta energy: -4.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -289.128220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.128220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.128220 (E_RNA)
where:
Base-Base interactions energy: -200.699
where: short stacking energy: -76.280
Base-Backbone interact. energy: -0.144
local terms energy: -88.285568
where:
bonds (distance) C4'-P energy: -17.664
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -19.912
flat angles P-C4'-P energy: -11.300
tors. eta vs tors. theta energy: -22.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -281.420024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.420024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.420024 (E_RNA)
where:
Base-Base interactions energy: -191.673
where: short stacking energy: -74.366
Base-Backbone interact. energy: -0.128
local terms energy: -89.618460
where:
bonds (distance) C4'-P energy: -17.650
bonds (distance) P-C4' energy: -18.565
flat angles C4'-P-C4' energy: -18.722
flat angles P-C4'-P energy: -14.559
tors. eta vs tors. theta energy: -20.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -277.068999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.068999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.068999 (E_RNA)
where:
Base-Base interactions energy: -192.526
where: short stacking energy: -78.239
Base-Backbone interact. energy: -0.191
local terms energy: -84.351929
where:
bonds (distance) C4'-P energy: -17.086
bonds (distance) P-C4' energy: -18.932
flat angles C4'-P-C4' energy: -18.801
flat angles P-C4'-P energy: -5.963
tors. eta vs tors. theta energy: -23.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -276.421755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.421755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.421755 (E_RNA)
where:
Base-Base interactions energy: -176.267
where: short stacking energy: -72.665
Base-Backbone interact. energy: -1.613
local terms energy: -98.540877
where:
bonds (distance) C4'-P energy: -20.882
bonds (distance) P-C4' energy: -19.142
flat angles C4'-P-C4' energy: -22.076
flat angles P-C4'-P energy: -12.335
tors. eta vs tors. theta energy: -24.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -268.760187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.760187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.760187 (E_RNA)
where:
Base-Base interactions energy: -176.804
where: short stacking energy: -70.038
Base-Backbone interact. energy: -0.150
local terms energy: -91.806164
where:
bonds (distance) C4'-P energy: -13.958
bonds (distance) P-C4' energy: -20.849
flat angles C4'-P-C4' energy: -19.480
flat angles P-C4'-P energy: -9.129
tors. eta vs tors. theta energy: -28.391
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: 1
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -265.546028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.546028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.546028 (E_RNA)
where:
Base-Base interactions energy: -179.568
where: short stacking energy: -75.042
Base-Backbone interact. energy: -0.104
local terms energy: -85.874200
where:
bonds (distance) C4'-P energy: -16.145
bonds (distance) P-C4' energy: -18.523
flat angles C4'-P-C4' energy: -15.936
flat angles P-C4'-P energy: -10.966
tors. eta vs tors. theta energy: -24.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -182.139738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.139738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.139738 (E_RNA)
where:
Base-Base interactions energy: -119.229
where: short stacking energy: -52.564
Base-Backbone interact. energy: 0.281
local terms energy: -63.191139
where:
bonds (distance) C4'-P energy: -17.537
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -18.240
flat angles P-C4'-P energy: -1.938
tors. eta vs tors. theta energy: -8.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -148.521852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.521852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.521852 (E_RNA)
where:
Base-Base interactions energy: -90.216
where: short stacking energy: -37.767
Base-Backbone interact. energy: -0.578
local terms energy: -57.728220
where:
bonds (distance) C4'-P energy: -11.331
bonds (distance) P-C4' energy: -19.741
flat angles C4'-P-C4' energy: -16.238
flat angles P-C4'-P energy: -5.851
tors. eta vs tors. theta energy: -4.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -85.990118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.990118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.990118 (E_RNA)
where:
Base-Base interactions energy: -33.945
where: short stacking energy: -29.154
Base-Backbone interact. energy: 4.937
local terms energy: -56.981666
where:
bonds (distance) C4'-P energy: -21.659
bonds (distance) P-C4' energy: -17.147
flat angles C4'-P-C4' energy: -9.470
flat angles P-C4'-P energy: -4.160
tors. eta vs tors. theta energy: -4.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -91.767675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.767675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.767675 (E_RNA)
where:
Base-Base interactions energy: -34.707
where: short stacking energy: -34.470
Base-Backbone interact. energy: -0.274
local terms energy: -56.786544
where:
bonds (distance) C4'-P energy: -12.493
bonds (distance) P-C4' energy: -19.872
flat angles C4'-P-C4' energy: -13.558
flat angles P-C4'-P energy: -11.232
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: 1, replica: 2
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -291.634479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.634479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.634479 (E_RNA)
where:
Base-Base interactions energy: -199.399
where: short stacking energy: -73.009
Base-Backbone interact. energy: -0.091
local terms energy: -92.144345
where:
bonds (distance) C4'-P energy: -18.391
bonds (distance) P-C4' energy: -17.712
flat angles C4'-P-C4' energy: -18.699
flat angles P-C4'-P energy: -15.102
tors. eta vs tors. theta energy: -22.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 330
Temperature: 0.950000
Total energy: -294.865924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.865924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.865924 (E_RNA)
where:
Base-Base interactions energy: -199.310
where: short stacking energy: -74.337
Base-Backbone interact. energy: -0.438
local terms energy: -95.117557
where:
bonds (distance) C4'-P energy: -18.502
bonds (distance) P-C4' energy: -16.301
flat angles C4'-P-C4' energy: -20.782
flat angles P-C4'-P energy: -15.408
tors. eta vs tors. theta energy: -24.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 330
Temperature: 1.000000
Total energy: -281.310463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.310463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.310463 (E_RNA)
where:
Base-Base interactions energy: -190.184
where: short stacking energy: -90.139
Base-Backbone interact. energy: -0.338
local terms energy: -90.788472
where:
bonds (distance) C4'-P energy: -15.819
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -16.738
flat angles P-C4'-P energy: -16.667
tors. eta vs tors. theta energy: -25.622
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: 8
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -284.049712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.049712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.049712 (E_RNA)
where:
Base-Base interactions energy: -188.521
where: short stacking energy: -74.033
Base-Backbone interact. energy: -1.153
local terms energy: -94.375898
where:
bonds (distance) C4'-P energy: -16.084
bonds (distance) P-C4' energy: -14.846
flat angles C4'-P-C4' energy: -21.757
flat angles P-C4'-P energy: -13.998
tors. eta vs tors. theta energy: -27.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -273.222927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.222927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.222927 (E_RNA)
where:
Base-Base interactions energy: -183.793
where: short stacking energy: -79.547
Base-Backbone interact. energy: -0.417
local terms energy: -89.012971
where:
bonds (distance) C4'-P energy: -16.464
bonds (distance) P-C4' energy: -20.101
flat angles C4'-P-C4' energy: -18.092
flat angles P-C4'-P energy: -9.197
tors. eta vs tors. theta energy: -25.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -264.766567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.766567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.766567 (E_RNA)
where:
Base-Base interactions energy: -171.546
where: short stacking energy: -72.859
Base-Backbone interact. energy: -0.139
local terms energy: -93.080936
where:
bonds (distance) C4'-P energy: -17.637
bonds (distance) P-C4' energy: -18.988
flat angles C4'-P-C4' energy: -16.049
flat angles P-C4'-P energy: -16.386
tors. eta vs tors. theta energy: -24.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -158.792428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.792428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.792428 (E_RNA)
where:
Base-Base interactions energy: -91.260
where: short stacking energy: -43.247
Base-Backbone interact. energy: -0.378
local terms energy: -67.155061
where:
bonds (distance) C4'-P energy: -16.700
bonds (distance) P-C4' energy: -16.558
flat angles C4'-P-C4' energy: -16.774
flat angles P-C4'-P energy: -7.456
tors. eta vs tors. theta energy: -9.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -177.178826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.178826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.178826 (E_RNA)
where:
Base-Base interactions energy: -115.830
where: short stacking energy: -53.557
Base-Backbone interact. energy: -0.188
local terms energy: -61.161051
where:
bonds (distance) C4'-P energy: -16.974
bonds (distance) P-C4' energy: -11.998
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -7.969
tors. eta vs tors. theta energy: -10.519
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: 10
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -85.500768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.500768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.500768 (E_RNA)
where:
Base-Base interactions energy: -35.380
where: short stacking energy: -27.533
Base-Backbone interact. energy: -0.961
local terms energy: -49.159207
where:
bonds (distance) C4'-P energy: -9.347
bonds (distance) P-C4' energy: -20.373
flat angles C4'-P-C4' energy: -12.232
flat angles P-C4'-P energy: -9.071
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: 10, replica: 7
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -93.898298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.898298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.898298 (E_RNA)
where:
Base-Base interactions energy: -29.447
where: short stacking energy: -29.447
Base-Backbone interact. energy: 0.717
local terms energy: -65.168316
where:
bonds (distance) C4'-P energy: -13.811
bonds (distance) P-C4' energy: -18.607
flat angles C4'-P-C4' energy: -18.483
flat angles P-C4'-P energy: -7.620
tors. eta vs tors. theta energy: -6.648
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: 2
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -290.857437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.857437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.857437 (E_RNA)
where:
Base-Base interactions energy: -196.476
where: short stacking energy: -77.915
Base-Backbone interact. energy: -1.959
local terms energy: -92.422125
where:
bonds (distance) C4'-P energy: -16.730
bonds (distance) P-C4' energy: -17.790
flat angles C4'-P-C4' energy: -18.800
flat angles P-C4'-P energy: -14.684
tors. eta vs tors. theta energy: -24.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -287.027176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.027176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.027176 (E_RNA)
where:
Base-Base interactions energy: -195.775
where: short stacking energy: -79.701
Base-Backbone interact. energy: -0.104
local terms energy: -91.148414
where:
bonds (distance) C4'-P energy: -15.959
bonds (distance) P-C4' energy: -17.817
flat angles C4'-P-C4' energy: -17.650
flat angles P-C4'-P energy: -15.247
tors. eta vs tors. theta energy: -24.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -283.114607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.114607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.114607 (E_RNA)
where:
Base-Base interactions energy: -197.823
where: short stacking energy: -78.911
Base-Backbone interact. energy: -1.422
local terms energy: -83.869812
where:
bonds (distance) C4'-P energy: -14.590
bonds (distance) P-C4' energy: -15.862
flat angles C4'-P-C4' energy: -17.525
flat angles P-C4'-P energy: -13.283
tors. eta vs tors. theta energy: -22.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -279.170935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.170935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.170935 (E_RNA)
where:
Base-Base interactions energy: -189.632
where: short stacking energy: -76.939
Base-Backbone interact. energy: -0.093
local terms energy: -89.446146
where:
bonds (distance) C4'-P energy: -16.456
bonds (distance) P-C4' energy: -17.057
flat angles C4'-P-C4' energy: -19.714
flat angles P-C4'-P energy: -10.359
tors. eta vs tors. theta energy: -25.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -266.163283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.163283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.163283 (E_RNA)
where:
Base-Base interactions energy: -176.394
where: short stacking energy: -75.352
Base-Backbone interact. energy: -0.028
local terms energy: -89.741676
where:
bonds (distance) C4'-P energy: -16.783
bonds (distance) P-C4' energy: -14.615
flat angles C4'-P-C4' energy: -19.398
flat angles P-C4'-P energy: -15.040
tors. eta vs tors. theta energy: -23.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -265.085156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.085156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.085156 (E_RNA)
where:
Base-Base interactions energy: -177.925
where: short stacking energy: -69.829
Base-Backbone interact. energy: -1.179
local terms energy: -85.981630
where:
bonds (distance) C4'-P energy: -17.728
bonds (distance) P-C4' energy: -16.302
flat angles C4'-P-C4' energy: -17.295
flat angles P-C4'-P energy: -14.139
tors. eta vs tors. theta energy: -20.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -199.050264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.050264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.050264 (E_RNA)
where:
Base-Base interactions energy: -132.862
where: short stacking energy: -52.464
Base-Backbone interact. energy: -0.020
local terms energy: -66.168833
where:
bonds (distance) C4'-P energy: -5.626
bonds (distance) P-C4' energy: -13.769
flat angles C4'-P-C4' energy: -19.474
flat angles P-C4'-P energy: -13.933
tors. eta vs tors. theta energy: -13.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -175.429819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.429819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.429819 (E_RNA)
where:
Base-Base interactions energy: -106.054
where: short stacking energy: -49.155
Base-Backbone interact. energy: -0.221
local terms energy: -69.154552
where:
bonds (distance) C4'-P energy: -16.840
bonds (distance) P-C4' energy: -19.862
flat angles C4'-P-C4' energy: -12.849
flat angles P-C4'-P energy: -4.752
tors. eta vs tors. theta energy: -14.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -97.598933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.598933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.598933 (E_RNA)
where:
Base-Base interactions energy: -38.051
where: short stacking energy: -38.051
Base-Backbone interact. energy: -0.029
local terms energy: -59.518211
where:
bonds (distance) C4'-P energy: -12.950
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -15.476
flat angles P-C4'-P energy: -9.656
tors. eta vs tors. theta energy: -6.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -84.240247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.240247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.240247 (E_RNA)
where:
Base-Base interactions energy: -35.283
where: short stacking energy: -18.917
Base-Backbone interact. energy: 0.196
local terms energy: -49.152830
where:
bonds (distance) C4'-P energy: -12.294
bonds (distance) P-C4' energy: -18.728
flat angles C4'-P-C4' energy: -9.761
flat angles P-C4'-P energy: -10.052
tors. eta vs tors. theta energy: 1.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -291.579720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.579720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.579720 (E_RNA)
where:
Base-Base interactions energy: -196.753
where: short stacking energy: -83.679
Base-Backbone interact. energy: -0.002
local terms energy: -94.825041
where:
bonds (distance) C4'-P energy: -16.137
bonds (distance) P-C4' energy: -18.646
flat angles C4'-P-C4' energy: -20.880
flat angles P-C4'-P energy: -12.345
tors. eta vs tors. theta energy: -26.818
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: 2, replica: 2
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -278.751442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.751442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.751442 (E_RNA)
where:
Base-Base interactions energy: -189.374
where: short stacking energy: -73.769
Base-Backbone interact. energy: -0.096
local terms energy: -89.281420
where:
bonds (distance) C4'-P energy: -14.526
bonds (distance) P-C4' energy: -17.695
flat angles C4'-P-C4' energy: -17.210
flat angles P-C4'-P energy: -12.552
tors. eta vs tors. theta energy: -27.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -279.032166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.032166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.032166 (E_RNA)
where:
Base-Base interactions energy: -186.047
where: short stacking energy: -72.788
Base-Backbone interact. energy: -0.040
local terms energy: -92.945169
where:
bonds (distance) C4'-P energy: -19.213
bonds (distance) P-C4' energy: -19.121
flat angles C4'-P-C4' energy: -17.130
flat angles P-C4'-P energy: -15.671
tors. eta vs tors. theta energy: -21.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -282.294844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.294844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.294844 (E_RNA)
where:
Base-Base interactions energy: -194.465
where: short stacking energy: -80.204
Base-Backbone interact. energy: -0.212
local terms energy: -87.617898
where:
bonds (distance) C4'-P energy: -17.341
bonds (distance) P-C4' energy: -15.940
flat angles C4'-P-C4' energy: -20.008
flat angles P-C4'-P energy: -9.384
tors. eta vs tors. theta energy: -24.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -267.129277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.129277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.129277 (E_RNA)
where:
Base-Base interactions energy: -191.746
where: short stacking energy: -78.650
Base-Backbone interact. energy: 1.272
local terms energy: -76.655571
where:
bonds (distance) C4'-P energy: -17.171
bonds (distance) P-C4' energy: -16.863
flat angles C4'-P-C4' energy: -19.031
flat angles P-C4'-P energy: -7.078
tors. eta vs tors. theta energy: -16.514
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: 6, replica: 4
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -269.665853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.665853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.665853 (E_RNA)
where:
Base-Base interactions energy: -179.709
where: short stacking energy: -73.928
Base-Backbone interact. energy: -0.097
local terms energy: -89.859705
where:
bonds (distance) C4'-P energy: -17.716
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -18.177
flat angles P-C4'-P energy: -15.853
tors. eta vs tors. theta energy: -22.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -186.110121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.110121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.110121 (E_RNA)
where:
Base-Base interactions energy: -116.028
where: short stacking energy: -53.555
Base-Backbone interact. energy: -0.094
local terms energy: -69.988239
where:
bonds (distance) C4'-P energy: -14.766
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -12.401
flat angles P-C4'-P energy: -10.766
tors. eta vs tors. theta energy: -15.082
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: 9
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -170.484183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.484183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.484183 (E_RNA)
where:
Base-Base interactions energy: -104.122
where: short stacking energy: -47.729
Base-Backbone interact. energy: -0.114
local terms energy: -66.248135
where:
bonds (distance) C4'-P energy: -7.194
bonds (distance) P-C4' energy: -19.576
flat angles C4'-P-C4' energy: -18.259
flat angles P-C4'-P energy: -11.328
tors. eta vs tors. theta energy: -9.891
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: 332
Temperature: 1.300000
Total energy: -86.101460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.101460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.101460 (E_RNA)
where:
Base-Base interactions energy: -30.370
where: short stacking energy: -16.700
Base-Backbone interact. energy: -0.594
local terms energy: -55.138117
where:
bonds (distance) C4'-P energy: -12.284
bonds (distance) P-C4' energy: -18.850
flat angles C4'-P-C4' energy: -16.521
flat angles P-C4'-P energy: -14.189
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: 10, replica: 10
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -94.266153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.266153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.266153 (E_RNA)
where:
Base-Base interactions energy: -36.944
where: short stacking energy: -31.999
Base-Backbone interact. energy: 0.457
local terms energy: -57.778735
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -16.038
flat angles C4'-P-C4' energy: -16.909
flat angles P-C4'-P energy: -8.614
tors. eta vs tors. theta energy: 0.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -296.219584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.219584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.219584 (E_RNA)
where:
Base-Base interactions energy: -202.820
where: short stacking energy: -87.087
Base-Backbone interact. energy: 0.135
local terms energy: -93.534765
where:
bonds (distance) C4'-P energy: -16.754
bonds (distance) P-C4' energy: -16.045
flat angles C4'-P-C4' energy: -19.466
flat angles P-C4'-P energy: -14.385
tors. eta vs tors. theta energy: -26.884
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: 5
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -280.359717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.359717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.359717 (E_RNA)
where:
Base-Base interactions energy: -188.081
where: short stacking energy: -77.736
Base-Backbone interact. energy: -1.373
local terms energy: -90.905989
where:
bonds (distance) C4'-P energy: -17.284
bonds (distance) P-C4' energy: -19.672
flat angles C4'-P-C4' energy: -15.667
flat angles P-C4'-P energy: -14.665
tors. eta vs tors. theta energy: -23.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -276.297566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.297566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.297566 (E_RNA)
where:
Base-Base interactions energy: -194.280
where: short stacking energy: -76.770
Base-Backbone interact. energy: -0.203
local terms energy: -81.813977
where:
bonds (distance) C4'-P energy: -12.774
bonds (distance) P-C4' energy: -19.044
flat angles C4'-P-C4' energy: -16.750
flat angles P-C4'-P energy: -8.860
tors. eta vs tors. theta energy: -24.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -275.984101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.984101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.984101 (E_RNA)
where:
Base-Base interactions energy: -189.462
where: short stacking energy: -78.687
Base-Backbone interact. energy: 0.705
local terms energy: -87.227181
where:
bonds (distance) C4'-P energy: -16.609
bonds (distance) P-C4' energy: -14.735
flat angles C4'-P-C4' energy: -18.586
flat angles P-C4'-P energy: -13.093
tors. eta vs tors. theta energy: -24.204
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: 8
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -261.649058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.649058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.649058 (E_RNA)
where:
Base-Base interactions energy: -173.744
where: short stacking energy: -71.342
Base-Backbone interact. energy: -0.060
local terms energy: -87.845055
where:
bonds (distance) C4'-P energy: -17.819
bonds (distance) P-C4' energy: -19.989
flat angles C4'-P-C4' energy: -15.678
flat angles P-C4'-P energy: -11.944
tors. eta vs tors. theta energy: -22.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -266.310839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.310839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.310839 (E_RNA)
where:
Base-Base interactions energy: -175.833
where: short stacking energy: -65.360
Base-Backbone interact. energy: -0.562
local terms energy: -89.915993
where:
bonds (distance) C4'-P energy: -20.016
bonds (distance) P-C4' energy: -19.922
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -15.397
tors. eta vs tors. theta energy: -18.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -181.645477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.645477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.645477 (E_RNA)
where:
Base-Base interactions energy: -108.381
where: short stacking energy: -55.253
Base-Backbone interact. energy: -0.191
local terms energy: -73.073318
where:
bonds (distance) C4'-P energy: -21.346
bonds (distance) P-C4' energy: -15.000
flat angles C4'-P-C4' energy: -10.556
flat angles P-C4'-P energy: -9.827
tors. eta vs tors. theta energy: -16.345
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: 8, replica: 9
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -169.946949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.946949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.946949 (E_RNA)
where:
Base-Base interactions energy: -103.521
where: short stacking energy: -43.830
Base-Backbone interact. energy: -0.421
local terms energy: -66.004910
where:
bonds (distance) C4'-P energy: -18.083
bonds (distance) P-C4' energy: -19.999
flat angles C4'-P-C4' energy: -6.347
flat angles P-C4'-P energy: -11.538
tors. eta vs tors. theta energy: -10.037
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: 7
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -94.222254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.222254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.222254 (E_RNA)
where:
Base-Base interactions energy: -33.526
where: short stacking energy: -33.526
Base-Backbone interact. energy: -0.040
local terms energy: -60.655997
where:
bonds (distance) C4'-P energy: -16.820
bonds (distance) P-C4' energy: -20.215
flat angles C4'-P-C4' energy: -14.293
flat angles P-C4'-P energy: -2.556
tors. eta vs tors. theta energy: -6.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -95.956973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.956973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.956973 (E_RNA)
where:
Base-Base interactions energy: -37.689
where: short stacking energy: -28.179
Base-Backbone interact. energy: -0.111
local terms energy: -58.157417
where:
bonds (distance) C4'-P energy: -19.378
bonds (distance) P-C4' energy: -18.753
flat angles C4'-P-C4' energy: -17.648
flat angles P-C4'-P energy: -5.373
tors. eta vs tors. theta energy: 2.994
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -297.719496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.719496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.719496 (E_RNA)
where:
Base-Base interactions energy: -203.896
where: short stacking energy: -66.786
Base-Backbone interact. energy: -0.365
local terms energy: -93.458862
where:
bonds (distance) C4'-P energy: -16.207
bonds (distance) P-C4' energy: -18.333
flat angles C4'-P-C4' energy: -21.786
flat angles P-C4'-P energy: -15.724
tors. eta vs tors. theta energy: -21.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -282.438908 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.438908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.438908 (E_RNA)
where:
Base-Base interactions energy: -192.056
where: short stacking energy: -79.492
Base-Backbone interact. energy: -1.246
local terms energy: -89.137345
where:
bonds (distance) C4'-P energy: -17.011
bonds (distance) P-C4' energy: -19.562
flat angles C4'-P-C4' energy: -17.721
flat angles P-C4'-P energy: -11.941
tors. eta vs tors. theta energy: -22.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -278.722459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.722459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.722459 (E_RNA)
where:
Base-Base interactions energy: -189.391
where: short stacking energy: -77.726
Base-Backbone interact. energy: -0.121
local terms energy: -89.210193
where:
bonds (distance) C4'-P energy: -15.927
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -15.164
flat angles P-C4'-P energy: -14.397
tors. eta vs tors. theta energy: -26.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -281.268815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.268815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.268815 (E_RNA)
where:
Base-Base interactions energy: -187.677
where: short stacking energy: -79.367
Base-Backbone interact. energy: -0.717
local terms energy: -92.874807
where:
bonds (distance) C4'-P energy: -19.611
bonds (distance) P-C4' energy: -21.314
flat angles C4'-P-C4' energy: -16.861
flat angles P-C4'-P energy: -11.592
tors. eta vs tors. theta energy: -23.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -257.207123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.207123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.207123 (E_RNA)
where:
Base-Base interactions energy: -173.510
where: short stacking energy: -66.003
Base-Backbone interact. energy: -0.688
local terms energy: -83.009371
where:
bonds (distance) C4'-P energy: -17.188
bonds (distance) P-C4' energy: -15.173
flat angles C4'-P-C4' energy: -16.676
flat angles P-C4'-P energy: -13.798
tors. eta vs tors. theta energy: -20.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -261.327877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.327877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.327877 (E_RNA)
where:
Base-Base interactions energy: -174.570
where: short stacking energy: -67.353
Base-Backbone interact. energy: -0.662
local terms energy: -86.095532
where:
bonds (distance) C4'-P energy: -16.954
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -18.777
flat angles P-C4'-P energy: -13.846
tors. eta vs tors. theta energy: -20.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -183.375974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.375974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.375974 (E_RNA)
where:
Base-Base interactions energy: -111.003
where: short stacking energy: -59.353
Base-Backbone interact. energy: -0.108
local terms energy: -72.265146
where:
bonds (distance) C4'-P energy: -15.052
bonds (distance) P-C4' energy: -19.037
flat angles C4'-P-C4' energy: -17.551
flat angles P-C4'-P energy: -9.566
tors. eta vs tors. theta energy: -11.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -183.314334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.314334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.314334 (E_RNA)
where:
Base-Base interactions energy: -113.281
where: short stacking energy: -48.189
Base-Backbone interact. energy: -0.788
local terms energy: -69.245921
where:
bonds (distance) C4'-P energy: -17.019
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -11.073
flat angles P-C4'-P energy: -9.608
tors. eta vs tors. theta energy: -13.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -107.114261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.114261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.114261 (E_RNA)
where:
Base-Base interactions energy: -50.086
where: short stacking energy: -42.453
Base-Backbone interact. energy: -0.084
local terms energy: -56.944065
where:
bonds (distance) C4'-P energy: -10.743
bonds (distance) P-C4' energy: -17.223
flat angles C4'-P-C4' energy: -19.732
flat angles P-C4'-P energy: -7.841
tors. eta vs tors. theta energy: -1.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -88.242854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.242854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.242854 (E_RNA)
where:
Base-Base interactions energy: -26.964
where: short stacking energy: -26.964
Base-Backbone interact. energy: -0.316
local terms energy: -60.962419
where:
bonds (distance) C4'-P energy: -15.874
bonds (distance) P-C4' energy: -14.608
flat angles C4'-P-C4' energy: -12.667
flat angles P-C4'-P energy: -10.709
tors. eta vs tors. theta energy: -7.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -292.587620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.587620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.587620 (E_RNA)
where:
Base-Base interactions energy: -201.801
where: short stacking energy: -85.276
Base-Backbone interact. energy: -0.722
local terms energy: -90.064469
where:
bonds (distance) C4'-P energy: -15.996
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -18.978
flat angles P-C4'-P energy: -12.730
tors. eta vs tors. theta energy: -26.243
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: 3
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -285.818166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.818166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.818166 (E_RNA)
where:
Base-Base interactions energy: -193.911
where: short stacking energy: -70.967
Base-Backbone interact. energy: 0.355
local terms energy: -92.262438
where:
bonds (distance) C4'-P energy: -18.791
bonds (distance) P-C4' energy: -19.658
flat angles C4'-P-C4' energy: -18.579
flat angles P-C4'-P energy: -8.844
tors. eta vs tors. theta energy: -26.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -277.661155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.661155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.661155 (E_RNA)
where:
Base-Base interactions energy: -188.316
where: short stacking energy: -74.922
Base-Backbone interact. energy: -0.658
local terms energy: -88.687147
where:
bonds (distance) C4'-P energy: -18.232
bonds (distance) P-C4' energy: -18.586
flat angles C4'-P-C4' energy: -15.089
flat angles P-C4'-P energy: -13.568
tors. eta vs tors. theta energy: -23.211
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: 335
Temperature: 1.050000
Total energy: -279.814085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.814085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.814085 (E_RNA)
where:
Base-Base interactions energy: -183.767
where: short stacking energy: -76.591
Base-Backbone interact. energy: -0.087
local terms energy: -95.960302
where:
bonds (distance) C4'-P energy: -20.625
bonds (distance) P-C4' energy: -19.131
flat angles C4'-P-C4' energy: -19.698
flat angles P-C4'-P energy: -13.070
tors. eta vs tors. theta energy: -23.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -269.166749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.166749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.166749 (E_RNA)
where:
Base-Base interactions energy: -184.046
where: short stacking energy: -72.354
Base-Backbone interact. energy: -0.909
local terms energy: -84.211761
where:
bonds (distance) C4'-P energy: -12.457
bonds (distance) P-C4' energy: -20.086
flat angles C4'-P-C4' energy: -18.017
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: -23.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -258.111972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.111972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.111972 (E_RNA)
where:
Base-Base interactions energy: -174.293
where: short stacking energy: -73.069
Base-Backbone interact. energy: -0.142
local terms energy: -83.677118
where:
bonds (distance) C4'-P energy: -15.863
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -19.751
flat angles P-C4'-P energy: -13.647
tors. eta vs tors. theta energy: -19.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -196.775314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.775314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.775314 (E_RNA)
where:
Base-Base interactions energy: -120.358
where: short stacking energy: -51.907
Base-Backbone interact. energy: -0.122
local terms energy: -76.294949
where:
bonds (distance) C4'-P energy: -18.319
bonds (distance) P-C4' energy: -9.708
flat angles C4'-P-C4' energy: -20.075
flat angles P-C4'-P energy: -15.897
tors. eta vs tors. theta energy: -12.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -178.910335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.910335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.910335 (E_RNA)
where:
Base-Base interactions energy: -107.200
where: short stacking energy: -43.691
Base-Backbone interact. energy: -0.387
local terms energy: -71.322838
where:
bonds (distance) C4'-P energy: -18.724
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -16.070
flat angles P-C4'-P energy: -11.558
tors. eta vs tors. theta energy: -7.616
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: 10
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -100.786995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.786995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.786995 (E_RNA)
where:
Base-Base interactions energy: -45.743
where: short stacking energy: -40.275
Base-Backbone interact. energy: -1.225
local terms energy: -53.818825
where:
bonds (distance) C4'-P energy: -10.837
bonds (distance) P-C4' energy: -18.703
flat angles C4'-P-C4' energy: -12.944
flat angles P-C4'-P energy: -10.603
tors. eta vs tors. theta energy: -0.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -79.250901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.250901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.250901 (E_RNA)
where:
Base-Base interactions energy: -32.635
where: short stacking energy: -32.635
Base-Backbone interact. energy: 0.006
local terms energy: -46.622344
where:
bonds (distance) C4'-P energy: -11.368
bonds (distance) P-C4' energy: -12.391
flat angles C4'-P-C4' energy: -13.496
flat angles P-C4'-P energy: -7.522
tors. eta vs tors. theta energy: -1.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -288.441585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.441585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.441585 (E_RNA)
where:
Base-Base interactions energy: -190.870
where: short stacking energy: -77.298
Base-Backbone interact. energy: -0.012
local terms energy: -97.559722
where:
bonds (distance) C4'-P energy: -16.606
bonds (distance) P-C4' energy: -18.921
flat angles C4'-P-C4' energy: -21.773
flat angles P-C4'-P energy: -12.268
tors. eta vs tors. theta energy: -27.992
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: 2, replica: 5
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -290.180330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.180330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.180330 (E_RNA)
where:
Base-Base interactions energy: -197.362
where: short stacking energy: -80.860
Base-Backbone interact. energy: -0.199
local terms energy: -92.619949
where:
bonds (distance) C4'-P energy: -16.514
bonds (distance) P-C4' energy: -18.434
flat angles C4'-P-C4' energy: -17.630
flat angles P-C4'-P energy: -14.417
tors. eta vs tors. theta energy: -25.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -279.060873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.060873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.060873 (E_RNA)
where:
Base-Base interactions energy: -189.422
where: short stacking energy: -78.447
Base-Backbone interact. energy: -0.031
local terms energy: -89.608115
where:
bonds (distance) C4'-P energy: -18.130
bonds (distance) P-C4' energy: -15.999
flat angles C4'-P-C4' energy: -18.459
flat angles P-C4'-P energy: -11.171
tors. eta vs tors. theta energy: -25.849
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: 4, replica: 1
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -275.479529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.479529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.479529 (E_RNA)
where:
Base-Base interactions energy: -183.629
where: short stacking energy: -77.202
Base-Backbone interact. energy: -0.114
local terms energy: -91.736426
where:
bonds (distance) C4'-P energy: -20.840
bonds (distance) P-C4' energy: -18.351
flat angles C4'-P-C4' energy: -17.821
flat angles P-C4'-P energy: -10.715
tors. eta vs tors. theta energy: -24.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -266.105962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.105962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.105962 (E_RNA)
where:
Base-Base interactions energy: -180.425
where: short stacking energy: -73.042
Base-Backbone interact. energy: -0.073
local terms energy: -85.607668
where:
bonds (distance) C4'-P energy: -15.988
bonds (distance) P-C4' energy: -16.965
flat angles C4'-P-C4' energy: -20.408
flat angles P-C4'-P energy: -12.724
tors. eta vs tors. theta energy: -19.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -264.413372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.413372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.413372 (E_RNA)
where:
Base-Base interactions energy: -182.492
where: short stacking energy: -87.104
Base-Backbone interact. energy: -0.018
local terms energy: -81.902950
where:
bonds (distance) C4'-P energy: -17.147
bonds (distance) P-C4' energy: -15.261
flat angles C4'-P-C4' energy: -18.208
flat angles P-C4'-P energy: -6.251
tors. eta vs tors. theta energy: -25.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -185.266406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.266406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.266406 (E_RNA)
where:
Base-Base interactions energy: -118.656
where: short stacking energy: -51.441
Base-Backbone interact. energy: 0.383
local terms energy: -66.993360
where:
bonds (distance) C4'-P energy: -17.908
bonds (distance) P-C4' energy: -17.045
flat angles C4'-P-C4' energy: -19.848
flat angles P-C4'-P energy: -4.945
tors. eta vs tors. theta energy: -7.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -187.195503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.195503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.195503 (E_RNA)
where:
Base-Base interactions energy: -113.293
where: short stacking energy: -49.972
Base-Backbone interact. energy: -0.862
local terms energy: -73.041483
where:
bonds (distance) C4'-P energy: -18.060
bonds (distance) P-C4' energy: -18.254
flat angles C4'-P-C4' energy: -12.931
flat angles P-C4'-P energy: -12.940
tors. eta vs tors. theta energy: -10.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -90.642548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.642548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.642548 (E_RNA)
where:
Base-Base interactions energy: -36.462
where: short stacking energy: -36.462
Base-Backbone interact. energy: -0.138
local terms energy: -54.042609
where:
bonds (distance) C4'-P energy: -13.836
bonds (distance) P-C4' energy: -20.047
flat angles C4'-P-C4' energy: -9.111
flat angles P-C4'-P energy: -8.647
tors. eta vs tors. theta energy: -2.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -128.330524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.330524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.330524 (E_RNA)
where:
Base-Base interactions energy: -74.181
where: short stacking energy: -25.792
Base-Backbone interact. energy: -0.656
local terms energy: -53.494097
where:
bonds (distance) C4'-P energy: -18.513
bonds (distance) P-C4' energy: -16.570
flat angles C4'-P-C4' energy: -6.076
flat angles P-C4'-P energy: -14.056
tors. eta vs tors. theta energy: 1.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -300.135970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.135970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.135970 (E_RNA)
where:
Base-Base interactions energy: -192.644
where: short stacking energy: -78.677
Base-Backbone interact. energy: -1.264
local terms energy: -106.228365
where:
bonds (distance) C4'-P energy: -19.780
bonds (distance) P-C4' energy: -22.237
flat angles C4'-P-C4' energy: -18.716
flat angles P-C4'-P energy: -15.719
tors. eta vs tors. theta energy: -29.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 337
Temperature: 0.950000
Total energy: -286.540584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.540584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.540584 (E_RNA)
where:
Base-Base interactions energy: -198.259
where: short stacking energy: -80.801
Base-Backbone interact. energy: -0.017
local terms energy: -88.264104
where:
bonds (distance) C4'-P energy: -18.419
bonds (distance) P-C4' energy: -17.256
flat angles C4'-P-C4' energy: -17.305
flat angles P-C4'-P energy: -8.001
tors. eta vs tors. theta energy: -27.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -285.191798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.191798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.191798 (E_RNA)
where:
Base-Base interactions energy: -196.751
where: short stacking energy: -78.687
Base-Backbone interact. energy: -0.029
local terms energy: -88.412157
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -17.185
flat angles C4'-P-C4' energy: -19.755
flat angles P-C4'-P energy: -11.653
tors. eta vs tors. theta energy: -24.913
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: 337
Temperature: 1.050000
Total energy: -276.599872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.599872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.599872 (E_RNA)
where:
Base-Base interactions energy: -182.995
where: short stacking energy: -80.562
Base-Backbone interact. energy: -0.002
local terms energy: -93.603111
where:
bonds (distance) C4'-P energy: -19.188
bonds (distance) P-C4' energy: -18.533
flat angles C4'-P-C4' energy: -19.183
flat angles P-C4'-P energy: -11.842
tors. eta vs tors. theta energy: -24.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -258.360041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.360041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.360041 (E_RNA)
where:
Base-Base interactions energy: -164.251
where: short stacking energy: -71.026
Base-Backbone interact. energy: -0.001
local terms energy: -94.107695
where:
bonds (distance) C4'-P energy: -16.493
bonds (distance) P-C4' energy: -20.454
flat angles C4'-P-C4' energy: -18.335
flat angles P-C4'-P energy: -13.688
tors. eta vs tors. theta energy: -25.136
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: 6, replica: 4
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -256.149216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.149216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.149216 (E_RNA)
where:
Base-Base interactions energy: -171.989
where: short stacking energy: -71.692
Base-Backbone interact. energy: -1.169
local terms energy: -82.991584
where:
bonds (distance) C4'-P energy: -12.114
bonds (distance) P-C4' energy: -19.821
flat angles C4'-P-C4' energy: -16.543
flat angles P-C4'-P energy: -12.108
tors. eta vs tors. theta energy: -22.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -182.242469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.242469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.242469 (E_RNA)
where:
Base-Base interactions energy: -116.101
where: short stacking energy: -48.290
Base-Backbone interact. energy: -1.351
local terms energy: -64.790454
where:
bonds (distance) C4'-P energy: -15.497
bonds (distance) P-C4' energy: -13.485
flat angles C4'-P-C4' energy: -14.414
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -10.869
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: 337
Temperature: 1.250000
Total energy: -171.659976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.659976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.659976 (E_RNA)
where:
Base-Base interactions energy: -107.897
where: short stacking energy: -43.001
Base-Backbone interact. energy: -0.004
local terms energy: -63.758685
where:
bonds (distance) C4'-P energy: -16.447
bonds (distance) P-C4' energy: -17.010
flat angles C4'-P-C4' energy: -18.827
flat angles P-C4'-P energy: -11.110
tors. eta vs tors. theta energy: -0.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -98.283927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.283927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.283927 (E_RNA)
where:
Base-Base interactions energy: -41.193
where: short stacking energy: -39.164
Base-Backbone interact. energy: -0.124
local terms energy: -56.966243
where:
bonds (distance) C4'-P energy: -17.869
bonds (distance) P-C4' energy: -14.137
flat angles C4'-P-C4' energy: -13.260
flat angles P-C4'-P energy: -4.181
tors. eta vs tors. theta energy: -7.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -119.627789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.627789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.627789 (E_RNA)
where:
Base-Base interactions energy: -60.783
where: short stacking energy: -25.418
Base-Backbone interact. energy: -0.631
local terms energy: -58.213949
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -17.796
flat angles C4'-P-C4' energy: -6.936
flat angles P-C4'-P energy: -13.924
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: 1, replica: 3
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -296.903923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.903923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.903923 (E_RNA)
where:
Base-Base interactions energy: -198.395
where: short stacking energy: -85.462
Base-Backbone interact. energy: -1.912
local terms energy: -96.597217
where:
bonds (distance) C4'-P energy: -19.609
bonds (distance) P-C4' energy: -19.547
flat angles C4'-P-C4' energy: -16.251
flat angles P-C4'-P energy: -14.149
tors. eta vs tors. theta energy: -27.042
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: 8
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -292.594038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.594038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.594038 (E_RNA)
where:
Base-Base interactions energy: -195.846
where: short stacking energy: -77.171
Base-Backbone interact. energy: -0.339
local terms energy: -96.408595
where:
bonds (distance) C4'-P energy: -17.536
bonds (distance) P-C4' energy: -21.439
flat angles C4'-P-C4' energy: -20.654
flat angles P-C4'-P energy: -12.005
tors. eta vs tors. theta energy: -24.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -283.926940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.926940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.926940 (E_RNA)
where:
Base-Base interactions energy: -191.636
where: short stacking energy: -76.082
Base-Backbone interact. energy: -1.556
local terms energy: -90.734294
where:
bonds (distance) C4'-P energy: -19.999
bonds (distance) P-C4' energy: -18.273
flat angles C4'-P-C4' energy: -19.659
flat angles P-C4'-P energy: -11.481
tors. eta vs tors. theta energy: -21.322
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: 5
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -281.069194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.069194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.069194 (E_RNA)
where:
Base-Base interactions energy: -191.457
where: short stacking energy: -78.183
Base-Backbone interact. energy: -0.101
local terms energy: -89.510450
where:
bonds (distance) C4'-P energy: -18.778
bonds (distance) P-C4' energy: -17.695
flat angles C4'-P-C4' energy: -15.246
flat angles P-C4'-P energy: -11.045
tors. eta vs tors. theta energy: -26.746
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: 4
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -274.968178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.968178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.968178 (E_RNA)
where:
Base-Base interactions energy: -184.432
where: short stacking energy: -75.611
Base-Backbone interact. energy: -0.316
local terms energy: -90.220120
where:
bonds (distance) C4'-P energy: -18.227
bonds (distance) P-C4' energy: -21.105
flat angles C4'-P-C4' energy: -19.970
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: -20.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -278.780161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.780161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.780161 (E_RNA)
where:
Base-Base interactions energy: -191.465
where: short stacking energy: -74.108
Base-Backbone interact. energy: -0.080
local terms energy: -87.235119
where:
bonds (distance) C4'-P energy: -18.191
bonds (distance) P-C4' energy: -17.024
flat angles C4'-P-C4' energy: -16.758
flat angles P-C4'-P energy: -9.111
tors. eta vs tors. theta energy: -26.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -189.928181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.928181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.928181 (E_RNA)
where:
Base-Base interactions energy: -113.749
where: short stacking energy: -63.176
Base-Backbone interact. energy: -0.253
local terms energy: -75.926393
where:
bonds (distance) C4'-P energy: -10.187
bonds (distance) P-C4' energy: -17.891
flat angles C4'-P-C4' energy: -20.551
flat angles P-C4'-P energy: -12.284
tors. eta vs tors. theta energy: -15.014
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: 8, replica: 9
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -170.660063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.660063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.660063 (E_RNA)
where:
Base-Base interactions energy: -101.476
where: short stacking energy: -44.620
Base-Backbone interact. energy: 0.836
local terms energy: -70.020197
where:
bonds (distance) C4'-P energy: -16.750
bonds (distance) P-C4' energy: -15.892
flat angles C4'-P-C4' energy: -19.141
flat angles P-C4'-P energy: -7.234
tors. eta vs tors. theta energy: -11.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -113.388664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.388664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.388664 (E_RNA)
where:
Base-Base interactions energy: -50.726
where: short stacking energy: -35.823
Base-Backbone interact. energy: 0.599
local terms energy: -63.262113
where:
bonds (distance) C4'-P energy: -17.520
bonds (distance) P-C4' energy: -18.695
flat angles C4'-P-C4' energy: -10.846
flat angles P-C4'-P energy: -10.336
tors. eta vs tors. theta energy: -5.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -93.175087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.175087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.175087 (E_RNA)
where:
Base-Base interactions energy: -35.161
where: short stacking energy: -17.667
Base-Backbone interact. energy: -0.212
local terms energy: -57.801103
where:
bonds (distance) C4'-P energy: -19.680
bonds (distance) P-C4' energy: -15.073
flat angles C4'-P-C4' energy: -14.455
flat angles P-C4'-P energy: -7.073
tors. eta vs tors. theta energy: -1.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -295.327960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.327960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.327960 (E_RNA)
where:
Base-Base interactions energy: -194.191
where: short stacking energy: -89.360
Base-Backbone interact. energy: 0.061
local terms energy: -101.197507
where:
bonds (distance) C4'-P energy: -18.506
bonds (distance) P-C4' energy: -20.832
flat angles C4'-P-C4' energy: -19.523
flat angles P-C4'-P energy: -15.286
tors. eta vs tors. theta energy: -27.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -288.170197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.170197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.170197 (E_RNA)
where:
Base-Base interactions energy: -193.033
where: short stacking energy: -74.939
Base-Backbone interact. energy: -0.009
local terms energy: -95.129000
where:
bonds (distance) C4'-P energy: -17.121
bonds (distance) P-C4' energy: -17.980
flat angles C4'-P-C4' energy: -21.436
flat angles P-C4'-P energy: -12.922
tors. eta vs tors. theta energy: -25.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -275.963545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.963545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.963545 (E_RNA)
where:
Base-Base interactions energy: -188.562
where: short stacking energy: -77.593
Base-Backbone interact. energy: -0.289
local terms energy: -87.112818
where:
bonds (distance) C4'-P energy: -18.122
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -18.011
flat angles P-C4'-P energy: -7.572
tors. eta vs tors. theta energy: -26.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -285.380969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.380969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.380969 (E_RNA)
where:
Base-Base interactions energy: -193.411
where: short stacking energy: -70.593
Base-Backbone interact. energy: -0.674
local terms energy: -91.296226
where:
bonds (distance) C4'-P energy: -14.697
bonds (distance) P-C4' energy: -18.274
flat angles C4'-P-C4' energy: -19.352
flat angles P-C4'-P energy: -15.172
tors. eta vs tors. theta energy: -23.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -274.893974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.893974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.893974 (E_RNA)
where:
Base-Base interactions energy: -181.946
where: short stacking energy: -76.035
Base-Backbone interact. energy: -0.102
local terms energy: -92.846566
where:
bonds (distance) C4'-P energy: -15.860
bonds (distance) P-C4' energy: -15.177
flat angles C4'-P-C4' energy: -21.065
flat angles P-C4'-P energy: -14.276
tors. eta vs tors. theta energy: -26.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -274.199024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.199024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.199024 (E_RNA)
where:
Base-Base interactions energy: -184.989
where: short stacking energy: -80.437
Base-Backbone interact. energy: -1.269
local terms energy: -87.940896
where:
bonds (distance) C4'-P energy: -14.486
bonds (distance) P-C4' energy: -19.280
flat angles C4'-P-C4' energy: -18.043
flat angles P-C4'-P energy: -13.741
tors. eta vs tors. theta energy: -22.390
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: 6
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -192.189137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.189137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.189137 (E_RNA)
where:
Base-Base interactions energy: -123.719
where: short stacking energy: -52.545
Base-Backbone interact. energy: -0.874
local terms energy: -67.596332
where:
bonds (distance) C4'-P energy: -15.728
bonds (distance) P-C4' energy: -17.769
flat angles C4'-P-C4' energy: -13.351
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -8.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -200.999198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.999198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.999198 (E_RNA)
where:
Base-Base interactions energy: -138.047
where: short stacking energy: -59.218
Base-Backbone interact. energy: -0.529
local terms energy: -62.423450
where:
bonds (distance) C4'-P energy: -13.676
bonds (distance) P-C4' energy: -13.923
flat angles C4'-P-C4' energy: -12.534
flat angles P-C4'-P energy: -6.711
tors. eta vs tors. theta energy: -15.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -94.633611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.633611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.633611 (E_RNA)
where:
Base-Base interactions energy: -36.076
where: short stacking energy: -32.836
Base-Backbone interact. energy: -0.256
local terms energy: -58.301630
where:
bonds (distance) C4'-P energy: -10.373
bonds (distance) P-C4' energy: -16.925
flat angles C4'-P-C4' energy: -16.202
flat angles P-C4'-P energy: -14.750
tors. eta vs tors. theta energy: -0.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -91.487091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.487091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.487091 (E_RNA)
where:
Base-Base interactions energy: -38.412
where: short stacking energy: -35.732
Base-Backbone interact. energy: -0.377
local terms energy: -52.698200
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -13.122
flat angles C4'-P-C4' energy: -17.249
flat angles P-C4'-P energy: -9.498
tors. eta vs tors. theta energy: 0.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -293.846954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.846954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.846954 (E_RNA)
where:
Base-Base interactions energy: -201.088
where: short stacking energy: -84.541
Base-Backbone interact. energy: -1.070
local terms energy: -91.689127
where:
bonds (distance) C4'-P energy: -16.548
bonds (distance) P-C4' energy: -19.668
flat angles C4'-P-C4' energy: -20.714
flat angles P-C4'-P energy: -12.626
tors. eta vs tors. theta energy: -22.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -285.716914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.716914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.716914 (E_RNA)
where:
Base-Base interactions energy: -191.417
where: short stacking energy: -76.346
Base-Backbone interact. energy: -0.662
local terms energy: -93.637812
where:
bonds (distance) C4'-P energy: -14.631
bonds (distance) P-C4' energy: -20.929
flat angles C4'-P-C4' energy: -20.635
flat angles P-C4'-P energy: -12.934
tors. eta vs tors. theta energy: -24.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -283.528968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.528968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.528968 (E_RNA)
where:
Base-Base interactions energy: -192.357
where: short stacking energy: -82.300
Base-Backbone interact. energy: -0.416
local terms energy: -90.755747
where:
bonds (distance) C4'-P energy: -15.429
bonds (distance) P-C4' energy: -19.232
flat angles C4'-P-C4' energy: -16.168
flat angles P-C4'-P energy: -12.546
tors. eta vs tors. theta energy: -27.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -272.274745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.274745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.274745 (E_RNA)
where:
Base-Base interactions energy: -176.921
where: short stacking energy: -82.235
Base-Backbone interact. energy: -0.280
local terms energy: -95.073293
where:
bonds (distance) C4'-P energy: -20.212
bonds (distance) P-C4' energy: -19.005
flat angles C4'-P-C4' energy: -17.975
flat angles P-C4'-P energy: -15.594
tors. eta vs tors. theta energy: -22.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -272.865113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.865113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.865113 (E_RNA)
where:
Base-Base interactions energy: -189.451
where: short stacking energy: -82.005
Base-Backbone interact. energy: -0.037
local terms energy: -83.377571
where:
bonds (distance) C4'-P energy: -15.885
bonds (distance) P-C4' energy: -15.736
flat angles C4'-P-C4' energy: -16.358
flat angles P-C4'-P energy: -8.080
tors. eta vs tors. theta energy: -27.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -263.343492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.343492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.343492 (E_RNA)
where:
Base-Base interactions energy: -172.156
where: short stacking energy: -61.508
Base-Backbone interact. energy: -0.228
local terms energy: -90.959862
where:
bonds (distance) C4'-P energy: -16.857
bonds (distance) P-C4' energy: -18.456
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -14.526
tors. eta vs tors. theta energy: -25.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -193.844771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.844771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.844771 (E_RNA)
where:
Base-Base interactions energy: -123.053
where: short stacking energy: -40.137
Base-Backbone interact. energy: -2.932
local terms energy: -67.859713
where:
bonds (distance) C4'-P energy: -12.792
bonds (distance) P-C4' energy: -16.527
flat angles C4'-P-C4' energy: -16.732
flat angles P-C4'-P energy: -11.704
tors. eta vs tors. theta energy: -10.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -175.420578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.420578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.420578 (E_RNA)
where:
Base-Base interactions energy: -102.306
where: short stacking energy: -40.646
Base-Backbone interact. energy: -0.720
local terms energy: -72.394819
where:
bonds (distance) C4'-P energy: -16.170
bonds (distance) P-C4' energy: -21.930
flat angles C4'-P-C4' energy: -15.541
flat angles P-C4'-P energy: -8.255
tors. eta vs tors. theta energy: -10.499
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: 9, replica: 7
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -92.983496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.983496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.983496 (E_RNA)
where:
Base-Base interactions energy: -36.502
where: short stacking energy: -36.502
Base-Backbone interact. energy: -0.109
local terms energy: -56.372443
where:
bonds (distance) C4'-P energy: -18.531
bonds (distance) P-C4' energy: -20.302
flat angles C4'-P-C4' energy: -6.236
flat angles P-C4'-P energy: -9.843
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: 10, replica: 10
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -89.752513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.752513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.752513 (E_RNA)
where:
Base-Base interactions energy: -43.878
where: short stacking energy: -16.857
Base-Backbone interact. energy: -0.174
local terms energy: -45.700789
where:
bonds (distance) C4'-P energy: -13.085
bonds (distance) P-C4' energy: -16.703
flat angles C4'-P-C4' energy: -11.251
flat angles P-C4'-P energy: -4.919
tors. eta vs tors. theta energy: 0.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -290.222201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.222201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.222201 (E_RNA)
where:
Base-Base interactions energy: -200.611
where: short stacking energy: -78.989
Base-Backbone interact. energy: -0.627
local terms energy: -88.984465
where:
bonds (distance) C4'-P energy: -12.961
bonds (distance) P-C4' energy: -16.905
flat angles C4'-P-C4' energy: -21.990
flat angles P-C4'-P energy: -14.055
tors. eta vs tors. theta energy: -23.073
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: 341
Temperature: 0.950000
Total energy: -285.663813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.663813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.663813 (E_RNA)
where:
Base-Base interactions energy: -199.046
where: short stacking energy: -86.834
Base-Backbone interact. energy: -0.001
local terms energy: -86.616756
where:
bonds (distance) C4'-P energy: -18.059
bonds (distance) P-C4' energy: -18.078
flat angles C4'-P-C4' energy: -16.803
flat angles P-C4'-P energy: -7.105
tors. eta vs tors. theta energy: -26.572
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: 3, replica: 5
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -289.883474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.883474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.883474 (E_RNA)
where:
Base-Base interactions energy: -205.393
where: short stacking energy: -88.814
Base-Backbone interact. energy: -0.003
local terms energy: -84.487631
where:
bonds (distance) C4'-P energy: -17.573
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -15.558
flat angles P-C4'-P energy: -10.733
tors. eta vs tors. theta energy: -23.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -273.116798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.116798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.116798 (E_RNA)
where:
Base-Base interactions energy: -178.629
where: short stacking energy: -70.796
Base-Backbone interact. energy: -0.584
local terms energy: -93.904183
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -18.359
flat angles C4'-P-C4' energy: -18.758
flat angles P-C4'-P energy: -14.866
tors. eta vs tors. theta energy: -25.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -266.100517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.100517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.100517 (E_RNA)
where:
Base-Base interactions energy: -178.276
where: short stacking energy: -79.337
Base-Backbone interact. energy: 3.060
local terms energy: -90.884670
where:
bonds (distance) C4'-P energy: -18.845
bonds (distance) P-C4' energy: -19.706
flat angles C4'-P-C4' energy: -14.669
flat angles P-C4'-P energy: -13.718
tors. eta vs tors. theta energy: -23.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -248.106122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.106122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.106122 (E_RNA)
where:
Base-Base interactions energy: -165.988
where: short stacking energy: -71.906
Base-Backbone interact. energy: -0.076
local terms energy: -82.041354
where:
bonds (distance) C4'-P energy: -13.140
bonds (distance) P-C4' energy: -19.718
flat angles C4'-P-C4' energy: -16.432
flat angles P-C4'-P energy: -11.904
tors. eta vs tors. theta energy: -20.847
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: 6
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -180.808730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.808730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.808730 (E_RNA)
where:
Base-Base interactions energy: -118.336
where: short stacking energy: -40.856
Base-Backbone interact. energy: -0.463
local terms energy: -62.009422
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -14.118
flat angles P-C4'-P energy: -5.128
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: 8, replica: 9
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -190.418976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.418976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.418976 (E_RNA)
where:
Base-Base interactions energy: -119.201
where: short stacking energy: -54.107
Base-Backbone interact. energy: -0.442
local terms energy: -70.775672
where:
bonds (distance) C4'-P energy: -14.171
bonds (distance) P-C4' energy: -15.303
flat angles C4'-P-C4' energy: -18.093
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: -13.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -86.541563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.541563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.541563 (E_RNA)
where:
Base-Base interactions energy: -32.562
where: short stacking energy: -28.393
Base-Backbone interact. energy: -0.201
local terms energy: -53.777979
where:
bonds (distance) C4'-P energy: -12.257
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -15.708
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: 0.483
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: 10
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -93.431993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.431993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.431993 (E_RNA)
where:
Base-Base interactions energy: -36.836
where: short stacking energy: -26.036
Base-Backbone interact. energy: -0.150
local terms energy: -56.446344
where:
bonds (distance) C4'-P energy: -13.290
bonds (distance) P-C4' energy: -16.156
flat angles C4'-P-C4' energy: -17.643
flat angles P-C4'-P energy: -6.911
tors. eta vs tors. theta energy: -2.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -295.656156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.656156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.656156 (E_RNA)
where:
Base-Base interactions energy: -200.938
where: short stacking energy: -89.443
Base-Backbone interact. energy: -0.010
local terms energy: -94.708227
where:
bonds (distance) C4'-P energy: -16.592
bonds (distance) P-C4' energy: -17.412
flat angles C4'-P-C4' energy: -20.688
flat angles P-C4'-P energy: -13.872
tors. eta vs tors. theta energy: -26.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 342
Temperature: 0.950000
Total energy: -287.353765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.353765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.353765 (E_RNA)
where:
Base-Base interactions energy: -196.927
where: short stacking energy: -83.843
Base-Backbone interact. energy: -0.678
local terms energy: -89.749185
where:
bonds (distance) C4'-P energy: -16.101
bonds (distance) P-C4' energy: -17.610
flat angles C4'-P-C4' energy: -21.205
flat angles P-C4'-P energy: -8.560
tors. eta vs tors. theta energy: -26.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -279.984606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.984606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.984606 (E_RNA)
where:
Base-Base interactions energy: -184.346
where: short stacking energy: -78.983
Base-Backbone interact. energy: -0.005
local terms energy: -95.633843
where:
bonds (distance) C4'-P energy: -21.589
bonds (distance) P-C4' energy: -19.616
flat angles C4'-P-C4' energy: -14.385
flat angles P-C4'-P energy: -13.771
tors. eta vs tors. theta energy: -26.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -276.383760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.383760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.383760 (E_RNA)
where:
Base-Base interactions energy: -193.519
where: short stacking energy: -84.874
Base-Backbone interact. energy: -0.015
local terms energy: -82.850278
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -15.624
flat angles C4'-P-C4' energy: -12.905
flat angles P-C4'-P energy: -11.666
tors. eta vs tors. theta energy: -25.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -275.584321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.584321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.584321 (E_RNA)
where:
Base-Base interactions energy: -180.325
where: short stacking energy: -75.605
Base-Backbone interact. energy: -0.006
local terms energy: -95.253566
where:
bonds (distance) C4'-P energy: -18.402
bonds (distance) P-C4' energy: -17.844
flat angles C4'-P-C4' energy: -17.130
flat angles P-C4'-P energy: -14.682
tors. eta vs tors. theta energy: -27.195
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: 4
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -259.860960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.860960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.860960 (E_RNA)
where:
Base-Base interactions energy: -179.953
where: short stacking energy: -74.078
Base-Backbone interact. energy: -0.051
local terms energy: -79.856851
where:
bonds (distance) C4'-P energy: -11.823
bonds (distance) P-C4' energy: -19.791
flat angles C4'-P-C4' energy: -12.684
flat angles P-C4'-P energy: -12.525
tors. eta vs tors. theta energy: -23.033
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: 7, replica: 6
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -187.906849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.906849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.906849 (E_RNA)
where:
Base-Base interactions energy: -120.459
where: short stacking energy: -42.749
Base-Backbone interact. energy: -0.676
local terms energy: -66.771475
where:
bonds (distance) C4'-P energy: -18.895
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -14.342
flat angles P-C4'-P energy: -8.513
tors. eta vs tors. theta energy: -8.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -173.581199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.581199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.581199 (E_RNA)
where:
Base-Base interactions energy: -104.706
where: short stacking energy: -49.775
Base-Backbone interact. energy: -0.027
local terms energy: -68.848958
where:
bonds (distance) C4'-P energy: -12.871
bonds (distance) P-C4' energy: -15.813
flat angles C4'-P-C4' energy: -18.601
flat angles P-C4'-P energy: -12.646
tors. eta vs tors. theta energy: -8.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -99.369355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.369355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.369355 (E_RNA)
where:
Base-Base interactions energy: -43.980
where: short stacking energy: -22.980
Base-Backbone interact. energy: 0.388
local terms energy: -55.776912
where:
bonds (distance) C4'-P energy: -14.263
bonds (distance) P-C4' energy: -16.036
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -8.202
tors. eta vs tors. theta energy: -3.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -96.098688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.098688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.098688 (E_RNA)
where:
Base-Base interactions energy: -43.933
where: short stacking energy: -30.313
Base-Backbone interact. energy: -0.233
local terms energy: -51.932392
where:
bonds (distance) C4'-P energy: -12.304
bonds (distance) P-C4' energy: -17.487
flat angles C4'-P-C4' energy: -9.875
flat angles P-C4'-P energy: -11.555
tors. eta vs tors. theta energy: -0.711
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: 3
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -295.324984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.324984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.324984 (E_RNA)
where:
Base-Base interactions energy: -201.709
where: short stacking energy: -87.297
Base-Backbone interact. energy: 0.910
local terms energy: -94.526642
where:
bonds (distance) C4'-P energy: -19.342
bonds (distance) P-C4' energy: -21.053
flat angles C4'-P-C4' energy: -18.049
flat angles P-C4'-P energy: -11.910
tors. eta vs tors. theta energy: -24.172
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: 5
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -285.784769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.784769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.784769 (E_RNA)
where:
Base-Base interactions energy: -196.319
where: short stacking energy: -82.760
Base-Backbone interact. energy: -0.282
local terms energy: -89.184164
where:
bonds (distance) C4'-P energy: -15.607
bonds (distance) P-C4' energy: -18.521
flat angles C4'-P-C4' energy: -17.065
flat angles P-C4'-P energy: -12.190
tors. eta vs tors. theta energy: -25.801
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: 343
Temperature: 1.000000
Total energy: -282.935835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.935835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.935835 (E_RNA)
where:
Base-Base interactions energy: -191.361
where: short stacking energy: -77.644
Base-Backbone interact. energy: 0.790
local terms energy: -92.365116
where:
bonds (distance) C4'-P energy: -18.489
bonds (distance) P-C4' energy: -19.053
flat angles C4'-P-C4' energy: -15.507
flat angles P-C4'-P energy: -15.035
tors. eta vs tors. theta energy: -24.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -278.921046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.921046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.921046 (E_RNA)
where:
Base-Base interactions energy: -181.581
where: short stacking energy: -72.618
Base-Backbone interact. energy: -0.900
local terms energy: -96.440098
where:
bonds (distance) C4'-P energy: -18.072
bonds (distance) P-C4' energy: -21.317
flat angles C4'-P-C4' energy: -20.824
flat angles P-C4'-P energy: -12.701
tors. eta vs tors. theta energy: -23.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -272.116503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.116503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.116503 (E_RNA)
where:
Base-Base interactions energy: -177.648
where: short stacking energy: -76.470
Base-Backbone interact. energy: -0.486
local terms energy: -93.982391
where:
bonds (distance) C4'-P energy: -19.295
bonds (distance) P-C4' energy: -17.344
flat angles C4'-P-C4' energy: -20.844
flat angles P-C4'-P energy: -11.964
tors. eta vs tors. theta energy: -24.535
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: 4
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -271.572018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.572018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.572018 (E_RNA)
where:
Base-Base interactions energy: -183.096
where: short stacking energy: -78.652
Base-Backbone interact. energy: -0.118
local terms energy: -88.357734
where:
bonds (distance) C4'-P energy: -20.580
bonds (distance) P-C4' energy: -17.494
flat angles C4'-P-C4' energy: -15.393
flat angles P-C4'-P energy: -13.678
tors. eta vs tors. theta energy: -21.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -183.982131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.982131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.982131 (E_RNA)
where:
Base-Base interactions energy: -123.864
where: short stacking energy: -44.953
Base-Backbone interact. energy: -0.496
local terms energy: -59.622138
where:
bonds (distance) C4'-P energy: -15.367
bonds (distance) P-C4' energy: -14.169
flat angles C4'-P-C4' energy: -16.108
flat angles P-C4'-P energy: -7.247
tors. eta vs tors. theta energy: -6.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -182.796728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.796728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.796728 (E_RNA)
where:
Base-Base interactions energy: -114.984
where: short stacking energy: -52.860
Base-Backbone interact. energy: -0.114
local terms energy: -67.699018
where:
bonds (distance) C4'-P energy: -12.074
bonds (distance) P-C4' energy: -14.425
flat angles C4'-P-C4' energy: -16.799
flat angles P-C4'-P energy: -9.894
tors. eta vs tors. theta energy: -14.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -91.756801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.756801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.756801 (E_RNA)
where:
Base-Base interactions energy: -32.159
where: short stacking energy: -17.927
Base-Backbone interact. energy: -0.340
local terms energy: -59.258135
where:
bonds (distance) C4'-P energy: -17.773
bonds (distance) P-C4' energy: -16.615
flat angles C4'-P-C4' energy: -18.143
flat angles P-C4'-P energy: -8.171
tors. eta vs tors. theta energy: 1.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -87.489582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.489582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.489582 (E_RNA)
where:
Base-Base interactions energy: -32.308
where: short stacking energy: -32.308
Base-Backbone interact. energy: -0.230
local terms energy: -54.951249
where:
bonds (distance) C4'-P energy: -16.920
bonds (distance) P-C4' energy: -16.834
flat angles C4'-P-C4' energy: -15.661
flat angles P-C4'-P energy: -4.631
tors. eta vs tors. theta energy: -0.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -305.074135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -305.074135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -305.074135 (E_RNA)
where:
Base-Base interactions energy: -205.521
where: short stacking energy: -84.568
Base-Backbone interact. energy: 1.780
local terms energy: -101.333617
where:
bonds (distance) C4'-P energy: -17.980
bonds (distance) P-C4' energy: -20.886
flat angles C4'-P-C4' energy: -19.843
flat angles P-C4'-P energy: -13.369
tors. eta vs tors. theta energy: -29.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -284.439087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.439087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.439087 (E_RNA)
where:
Base-Base interactions energy: -197.656
where: short stacking energy: -71.889
Base-Backbone interact. energy: -0.430
local terms energy: -86.352628
where:
bonds (distance) C4'-P energy: -14.999
bonds (distance) P-C4' energy: -20.324
flat angles C4'-P-C4' energy: -18.118
flat angles P-C4'-P energy: -12.757
tors. eta vs tors. theta energy: -20.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -284.634540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.634540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.634540 (E_RNA)
where:
Base-Base interactions energy: -190.690
where: short stacking energy: -86.283
Base-Backbone interact. energy: 0.599
local terms energy: -94.543966
where:
bonds (distance) C4'-P energy: -15.412
bonds (distance) P-C4' energy: -21.911
flat angles C4'-P-C4' energy: -19.301
flat angles P-C4'-P energy: -11.866
tors. eta vs tors. theta energy: -26.053
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: 1
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -273.189645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.189645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.189645 (E_RNA)
where:
Base-Base interactions energy: -185.815
where: short stacking energy: -79.288
Base-Backbone interact. energy: -0.942
local terms energy: -86.432980
where:
bonds (distance) C4'-P energy: -12.944
bonds (distance) P-C4' energy: -17.983
flat angles C4'-P-C4' energy: -20.737
flat angles P-C4'-P energy: -8.707
tors. eta vs tors. theta energy: -26.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -268.183953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.183953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.183953 (E_RNA)
where:
Base-Base interactions energy: -185.072
where: short stacking energy: -79.539
Base-Backbone interact. energy: -0.090
local terms energy: -83.021203
where:
bonds (distance) C4'-P energy: -12.218
bonds (distance) P-C4' energy: -18.003
flat angles C4'-P-C4' energy: -17.741
flat angles P-C4'-P energy: -13.692
tors. eta vs tors. theta energy: -21.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 344
Temperature: 1.150000
Total energy: -260.996722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.996722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.996722 (E_RNA)
where:
Base-Base interactions energy: -173.566
where: short stacking energy: -64.725
Base-Backbone interact. energy: -0.071
local terms energy: -87.360273
where:
bonds (distance) C4'-P energy: -19.775
bonds (distance) P-C4' energy: -16.433
flat angles C4'-P-C4' energy: -17.748
flat angles P-C4'-P energy: -11.150
tors. eta vs tors. theta energy: -22.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -177.989096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.989096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.989096 (E_RNA)
where:
Base-Base interactions energy: -114.225
where: short stacking energy: -38.797
Base-Backbone interact. energy: 0.319
local terms energy: -64.082405
where:
bonds (distance) C4'-P energy: -11.344
bonds (distance) P-C4' energy: -18.784
flat angles C4'-P-C4' energy: -16.025
flat angles P-C4'-P energy: -1.004
tors. eta vs tors. theta energy: -16.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -191.990951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.990951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.990951 (E_RNA)
where:
Base-Base interactions energy: -122.388
where: short stacking energy: -53.479
Base-Backbone interact. energy: -0.693
local terms energy: -68.909269
where:
bonds (distance) C4'-P energy: -16.595
bonds (distance) P-C4' energy: -16.236
flat angles C4'-P-C4' energy: -13.020
flat angles P-C4'-P energy: -8.940
tors. eta vs tors. theta energy: -14.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -132.453117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.453117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.453117 (E_RNA)
where:
Base-Base interactions energy: -79.429
where: short stacking energy: -33.527
Base-Backbone interact. energy: -0.315
local terms energy: -52.709353
where:
bonds (distance) C4'-P energy: -16.518
bonds (distance) P-C4' energy: -20.392
flat angles C4'-P-C4' energy: -1.370
flat angles P-C4'-P energy: -10.359
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: 10, replica: 7
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -88.624983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.624983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.624983 (E_RNA)
where:
Base-Base interactions energy: -35.253
where: short stacking energy: -35.148
Base-Backbone interact. energy: -0.118
local terms energy: -53.254888
where:
bonds (distance) C4'-P energy: -13.786
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -12.561
flat angles P-C4'-P energy: -10.970
tors. eta vs tors. theta energy: -1.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -290.362311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.362311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.362311 (E_RNA)
where:
Base-Base interactions energy: -198.651
where: short stacking energy: -85.541
Base-Backbone interact. energy: -0.006
local terms energy: -91.705538
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -18.650
flat angles C4'-P-C4' energy: -17.327
flat angles P-C4'-P energy: -15.788
tors. eta vs tors. theta energy: -25.500
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: 2
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -288.808876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.808876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.808876 (E_RNA)
where:
Base-Base interactions energy: -194.453
where: short stacking energy: -82.738
Base-Backbone interact. energy: -0.486
local terms energy: -93.870086
where:
bonds (distance) C4'-P energy: -18.186
bonds (distance) P-C4' energy: -15.803
flat angles C4'-P-C4' energy: -20.226
flat angles P-C4'-P energy: -14.743
tors. eta vs tors. theta energy: -24.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -280.272675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.272675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.272675 (E_RNA)
where:
Base-Base interactions energy: -188.149
where: short stacking energy: -79.001
Base-Backbone interact. energy: -0.002
local terms energy: -92.121794
where:
bonds (distance) C4'-P energy: -15.418
bonds (distance) P-C4' energy: -21.522
flat angles C4'-P-C4' energy: -16.242
flat angles P-C4'-P energy: -13.169
tors. eta vs tors. theta energy: -25.772
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 345
Temperature: 1.050000
Total energy: -267.836206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.836206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.836206 (E_RNA)
where:
Base-Base interactions energy: -185.152
where: short stacking energy: -91.520
Base-Backbone interact. energy: -0.146
local terms energy: -82.538905
where:
bonds (distance) C4'-P energy: -12.860
bonds (distance) P-C4' energy: -17.192
flat angles C4'-P-C4' energy: -15.437
flat angles P-C4'-P energy: -10.841
tors. eta vs tors. theta energy: -26.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -269.126552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.126552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.126552 (E_RNA)
where:
Base-Base interactions energy: -182.850
where: short stacking energy: -75.055
Base-Backbone interact. energy: -1.072
local terms energy: -85.204434
where:
bonds (distance) C4'-P energy: -14.449
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -19.515
flat angles P-C4'-P energy: -11.254
tors. eta vs tors. theta energy: -23.619
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: 6, replica: 8
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -269.179169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.179169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.179169 (E_RNA)
where:
Base-Base interactions energy: -188.673
where: short stacking energy: -80.164
Base-Backbone interact. energy: -1.231
local terms energy: -79.274476
where:
bonds (distance) C4'-P energy: -11.798
bonds (distance) P-C4' energy: -13.411
flat angles C4'-P-C4' energy: -19.439
flat angles P-C4'-P energy: -9.143
tors. eta vs tors. theta energy: -25.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -169.115305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.115305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.115305 (E_RNA)
where:
Base-Base interactions energy: -100.355
where: short stacking energy: -40.248
Base-Backbone interact. energy: -0.539
local terms energy: -68.220909
where:
bonds (distance) C4'-P energy: -21.002
bonds (distance) P-C4' energy: -18.766
flat angles C4'-P-C4' energy: -15.955
flat angles P-C4'-P energy: -9.264
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: 8, replica: 10
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -110.178145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.178145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.178145 (E_RNA)
where:
Base-Base interactions energy: -41.558
where: short stacking energy: -41.448
Base-Backbone interact. energy: -0.186
local terms energy: -68.434486
where:
bonds (distance) C4'-P energy: -18.762
bonds (distance) P-C4' energy: -13.749
flat angles C4'-P-C4' energy: -14.359
flat angles P-C4'-P energy: -14.252
tors. eta vs tors. theta energy: -7.313
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: 6
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -124.204127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.204127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.204127 (E_RNA)
where:
Base-Base interactions energy: -69.053
where: short stacking energy: -35.525
Base-Backbone interact. energy: -0.433
local terms energy: -54.718183
where:
bonds (distance) C4'-P energy: -12.825
bonds (distance) P-C4' energy: -15.916
flat angles C4'-P-C4' energy: -16.986
flat angles P-C4'-P energy: -4.938
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: 7
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -100.108900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.108900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.108900 (E_RNA)
where:
Base-Base interactions energy: -33.286
where: short stacking energy: -33.286
Base-Backbone interact. energy: -0.350
local terms energy: -66.473012
where:
bonds (distance) C4'-P energy: -14.002
bonds (distance) P-C4' energy: -18.537
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -10.054
tors. eta vs tors. theta energy: -7.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -294.019764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.019764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.019764 (E_RNA)
where:
Base-Base interactions energy: -197.472
where: short stacking energy: -84.633
Base-Backbone interact. energy: -1.369
local terms energy: -95.178869
where:
bonds (distance) C4'-P energy: -19.838
bonds (distance) P-C4' energy: -16.697
flat angles C4'-P-C4' energy: -19.806
flat angles P-C4'-P energy: -15.878
tors. eta vs tors. theta energy: -22.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -290.572644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.572644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.572644 (E_RNA)
where:
Base-Base interactions energy: -197.874
where: short stacking energy: -84.412
Base-Backbone interact. energy: -0.390
local terms energy: -92.308398
where:
bonds (distance) C4'-P energy: -15.477
bonds (distance) P-C4' energy: -20.284
flat angles C4'-P-C4' energy: -19.033
flat angles P-C4'-P energy: -12.519
tors. eta vs tors. theta energy: -24.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -278.497199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.497199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.497199 (E_RNA)
where:
Base-Base interactions energy: -191.007
where: short stacking energy: -79.131
Base-Backbone interact. energy: -0.018
local terms energy: -87.472235
where:
bonds (distance) C4'-P energy: -15.832
bonds (distance) P-C4' energy: -18.166
flat angles C4'-P-C4' energy: -18.208
flat angles P-C4'-P energy: -12.912
tors. eta vs tors. theta energy: -22.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -272.202869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.202869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.202869 (E_RNA)
where:
Base-Base interactions energy: -186.702
where: short stacking energy: -74.470
Base-Backbone interact. energy: -0.376
local terms energy: -85.124887
where:
bonds (distance) C4'-P energy: -16.196
bonds (distance) P-C4' energy: -17.346
flat angles C4'-P-C4' energy: -14.436
flat angles P-C4'-P energy: -11.514
tors. eta vs tors. theta energy: -25.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -261.735495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.735495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.735495 (E_RNA)
where:
Base-Base interactions energy: -187.912
where: short stacking energy: -69.025
Base-Backbone interact. energy: -0.068
local terms energy: -73.755387
where:
bonds (distance) C4'-P energy: -17.910
bonds (distance) P-C4' energy: -13.540
flat angles C4'-P-C4' energy: -13.628
flat angles P-C4'-P energy: -9.870
tors. eta vs tors. theta energy: -18.807
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: 8
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -261.616582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.616582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.616582 (E_RNA)
where:
Base-Base interactions energy: -184.506
where: short stacking energy: -67.517
Base-Backbone interact. energy: -0.132
local terms energy: -76.978407
where:
bonds (distance) C4'-P energy: -18.825
bonds (distance) P-C4' energy: -15.088
flat angles C4'-P-C4' energy: -18.537
flat angles P-C4'-P energy: -8.177
tors. eta vs tors. theta energy: -16.352
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: 7, replica: 9
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -185.332503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.332503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.332503 (E_RNA)
where:
Base-Base interactions energy: -117.608
where: short stacking energy: -38.917
Base-Backbone interact. energy: -1.977
local terms energy: -65.747001
where:
bonds (distance) C4'-P energy: -16.390
bonds (distance) P-C4' energy: -18.427
flat angles C4'-P-C4' energy: -16.073
flat angles P-C4'-P energy: -10.824
tors. eta vs tors. theta energy: -4.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -113.666675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.666675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.666675 (E_RNA)
where:
Base-Base interactions energy: -48.767
where: short stacking energy: -38.091
Base-Backbone interact. energy: -0.110
local terms energy: -64.790021
where:
bonds (distance) C4'-P energy: -16.858
bonds (distance) P-C4' energy: -15.171
flat angles C4'-P-C4' energy: -15.103
flat angles P-C4'-P energy: -7.050
tors. eta vs tors. theta energy: -10.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -96.783556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.783556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.783556 (E_RNA)
where:
Base-Base interactions energy: -35.398
where: short stacking energy: -24.270
Base-Backbone interact. energy: -0.167
local terms energy: -61.218471
where:
bonds (distance) C4'-P energy: -14.245
bonds (distance) P-C4' energy: -18.096
flat angles C4'-P-C4' energy: -16.255
flat angles P-C4'-P energy: -10.800
tors. eta vs tors. theta energy: -1.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -86.973894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.973894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.973894 (E_RNA)
where:
Base-Base interactions energy: -28.972
where: short stacking energy: -28.972
Base-Backbone interact. energy: 1.753
local terms energy: -59.755595
where:
bonds (distance) C4'-P energy: -13.971
bonds (distance) P-C4' energy: -18.350
flat angles C4'-P-C4' energy: -18.123
flat angles P-C4'-P energy: -12.780
tors. eta vs tors. theta energy: 3.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -295.669042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.669042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.669042 (E_RNA)
where:
Base-Base interactions energy: -198.346
where: short stacking energy: -80.644
Base-Backbone interact. energy: -1.312
local terms energy: -96.010773
where:
bonds (distance) C4'-P energy: -18.717
bonds (distance) P-C4' energy: -20.915
flat angles C4'-P-C4' energy: -19.565
flat angles P-C4'-P energy: -9.984
tors. eta vs tors. theta energy: -26.831
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: 2, replica: 5
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -291.047845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.047845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.047845 (E_RNA)
where:
Base-Base interactions energy: -198.841
where: short stacking energy: -76.646
Base-Backbone interact. energy: -0.075
local terms energy: -92.131837
where:
bonds (distance) C4'-P energy: -19.498
bonds (distance) P-C4' energy: -19.274
flat angles C4'-P-C4' energy: -15.866
flat angles P-C4'-P energy: -12.225
tors. eta vs tors. theta energy: -25.270
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: 3, replica: 2
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -275.114508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.114508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.114508 (E_RNA)
where:
Base-Base interactions energy: -175.582
where: short stacking energy: -78.404
Base-Backbone interact. energy: -0.475
local terms energy: -99.057027
where:
bonds (distance) C4'-P energy: -14.383
bonds (distance) P-C4' energy: -21.973
flat angles C4'-P-C4' energy: -20.166
flat angles P-C4'-P energy: -14.476
tors. eta vs tors. theta energy: -28.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -263.648161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.648161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.648161 (E_RNA)
where:
Base-Base interactions energy: -182.606
where: short stacking energy: -70.516
Base-Backbone interact. energy: -0.865
local terms energy: -80.177156
where:
bonds (distance) C4'-P energy: -14.055
bonds (distance) P-C4' energy: -18.611
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -14.177
tors. eta vs tors. theta energy: -19.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -278.030790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.030790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.030790 (E_RNA)
where:
Base-Base interactions energy: -190.386
where: short stacking energy: -80.725
Base-Backbone interact. energy: -0.266
local terms energy: -87.378305
where:
bonds (distance) C4'-P energy: -15.214
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -17.079
flat angles P-C4'-P energy: -11.811
tors. eta vs tors. theta energy: -25.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -264.357883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.357883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.357883 (E_RNA)
where:
Base-Base interactions energy: -180.088
where: short stacking energy: -72.740
Base-Backbone interact. energy: -0.567
local terms energy: -83.702481
where:
bonds (distance) C4'-P energy: -15.409
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -19.375
flat angles P-C4'-P energy: -10.160
tors. eta vs tors. theta energy: -22.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -184.277371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.277371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.277371 (E_RNA)
where:
Base-Base interactions energy: -117.169
where: short stacking energy: -50.333
Base-Backbone interact. energy: -0.461
local terms energy: -66.648002
where:
bonds (distance) C4'-P energy: -10.071
bonds (distance) P-C4' energy: -21.031
flat angles C4'-P-C4' energy: -16.261
flat angles P-C4'-P energy: -12.640
tors. eta vs tors. theta energy: -6.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -97.021653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.021653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.021653 (E_RNA)
where:
Base-Base interactions energy: -39.120
where: short stacking energy: -29.896
Base-Backbone interact. energy: -0.617
local terms energy: -57.284913
where:
bonds (distance) C4'-P energy: -16.804
bonds (distance) P-C4' energy: -11.842
flat angles C4'-P-C4' energy: -17.341
flat angles P-C4'-P energy: -11.530
tors. eta vs tors. theta energy: 0.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -96.942060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.942060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.942060 (E_RNA)
where:
Base-Base interactions energy: -39.239
where: short stacking energy: -22.321
Base-Backbone interact. energy: -1.371
local terms energy: -56.331848
where:
bonds (distance) C4'-P energy: -12.620
bonds (distance) P-C4' energy: -19.738
flat angles C4'-P-C4' energy: -12.454
flat angles P-C4'-P energy: -11.725
tors. eta vs tors. theta energy: 0.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -94.343883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.343883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.343883 (E_RNA)
where:
Base-Base interactions energy: -34.436
where: short stacking energy: -16.397
Base-Backbone interact. energy: 0.129
local terms energy: -60.036997
where:
bonds (distance) C4'-P energy: -19.732
bonds (distance) P-C4' energy: -13.723
flat angles C4'-P-C4' energy: -13.505
flat angles P-C4'-P energy: -15.268
tors. eta vs tors. theta energy: 2.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -292.949720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.949720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.949720 (E_RNA)
where:
Base-Base interactions energy: -196.808
where: short stacking energy: -79.914
Base-Backbone interact. energy: -0.207
local terms energy: -95.933967
where:
bonds (distance) C4'-P energy: -18.228
bonds (distance) P-C4' energy: -19.652
flat angles C4'-P-C4' energy: -16.882
flat angles P-C4'-P energy: -17.704
tors. eta vs tors. theta energy: -23.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -281.683868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.683868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.683868 (E_RNA)
where:
Base-Base interactions energy: -185.975
where: short stacking energy: -82.434
Base-Backbone interact. energy: -0.260
local terms energy: -95.448781
where:
bonds (distance) C4'-P energy: -18.290
bonds (distance) P-C4' energy: -17.456
flat angles C4'-P-C4' energy: -21.156
flat angles P-C4'-P energy: -12.124
tors. eta vs tors. theta energy: -26.424
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: 1
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -279.213569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.213569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.213569 (E_RNA)
where:
Base-Base interactions energy: -192.768
where: short stacking energy: -74.024
Base-Backbone interact. energy: -0.410
local terms energy: -86.035994
where:
bonds (distance) C4'-P energy: -18.335
bonds (distance) P-C4' energy: -19.741
flat angles C4'-P-C4' energy: -17.897
flat angles P-C4'-P energy: -11.580
tors. eta vs tors. theta energy: -18.483
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -278.164898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.164898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.164898 (E_RNA)
where:
Base-Base interactions energy: -187.521
where: short stacking energy: -75.539
Base-Backbone interact. energy: -0.085
local terms energy: -90.559654
where:
bonds (distance) C4'-P energy: -21.047
bonds (distance) P-C4' energy: -17.554
flat angles C4'-P-C4' energy: -17.282
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -23.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -274.033141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.033141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.033141 (E_RNA)
where:
Base-Base interactions energy: -181.719
where: short stacking energy: -75.655
Base-Backbone interact. energy: -0.138
local terms energy: -92.175836
where:
bonds (distance) C4'-P energy: -15.537
bonds (distance) P-C4' energy: -21.215
flat angles C4'-P-C4' energy: -20.972
flat angles P-C4'-P energy: -15.541
tors. eta vs tors. theta energy: -18.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -259.412986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.412986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.412986 (E_RNA)
where:
Base-Base interactions energy: -172.152
where: short stacking energy: -65.460
Base-Backbone interact. energy: -0.336
local terms energy: -86.924358
where:
bonds (distance) C4'-P energy: -16.598
bonds (distance) P-C4' energy: -15.611
flat angles C4'-P-C4' energy: -18.587
flat angles P-C4'-P energy: -13.448
tors. eta vs tors. theta energy: -22.681
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: 9
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -172.253388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.253388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.253388 (E_RNA)
where:
Base-Base interactions energy: -103.484
where: short stacking energy: -53.321
Base-Backbone interact. energy: 0.130
local terms energy: -68.899248
where:
bonds (distance) C4'-P energy: -14.609
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -19.872
flat angles P-C4'-P energy: -10.789
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: 10
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -100.936269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.936269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.936269 (E_RNA)
where:
Base-Base interactions energy: -35.861
where: short stacking energy: -25.606
Base-Backbone interact. energy: 0.396
local terms energy: -65.471359
where:
bonds (distance) C4'-P energy: -20.111
bonds (distance) P-C4' energy: -18.847
flat angles C4'-P-C4' energy: -13.299
flat angles P-C4'-P energy: -11.536
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: 9, replica: 6
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -101.842922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.842922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.842922 (E_RNA)
where:
Base-Base interactions energy: -48.117
where: short stacking energy: -20.307
Base-Backbone interact. energy: -1.672
local terms energy: -52.053673
where:
bonds (distance) C4'-P energy: -9.905
bonds (distance) P-C4' energy: -21.243
flat angles C4'-P-C4' energy: -17.369
flat angles P-C4'-P energy: -10.568
tors. eta vs tors. theta energy: 7.031
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: 7
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -87.492277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.492277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.492277 (E_RNA)
where:
Base-Base interactions energy: -27.781
where: short stacking energy: -17.603
Base-Backbone interact. energy: 0.021
local terms energy: -59.732503
where:
bonds (distance) C4'-P energy: -12.694
bonds (distance) P-C4' energy: -22.929
flat angles C4'-P-C4' energy: -14.751
flat angles P-C4'-P energy: -12.436
tors. eta vs tors. theta energy: 3.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -288.314923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.314923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.314923 (E_RNA)
where:
Base-Base interactions energy: -191.218
where: short stacking energy: -79.386
Base-Backbone interact. energy: -0.154
local terms energy: -96.943625
where:
bonds (distance) C4'-P energy: -18.795
bonds (distance) P-C4' energy: -16.971
flat angles C4'-P-C4' energy: -21.474
flat angles P-C4'-P energy: -13.571
tors. eta vs tors. theta energy: -26.132
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: 1
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -290.550590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.550590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.550590 (E_RNA)
where:
Base-Base interactions energy: -201.243
where: short stacking energy: -77.031
Base-Backbone interact. energy: -0.627
local terms energy: -88.680084
where:
bonds (distance) C4'-P energy: -16.911
bonds (distance) P-C4' energy: -17.776
flat angles C4'-P-C4' energy: -17.917
flat angles P-C4'-P energy: -16.761
tors. eta vs tors. theta energy: -19.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -279.813946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.813946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.813946 (E_RNA)
where:
Base-Base interactions energy: -181.616
where: short stacking energy: -77.963
Base-Backbone interact. energy: -0.140
local terms energy: -98.057371
where:
bonds (distance) C4'-P energy: -17.019
bonds (distance) P-C4' energy: -20.165
flat angles C4'-P-C4' energy: -20.222
flat angles P-C4'-P energy: -12.420
tors. eta vs tors. theta energy: -28.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -272.829494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.829494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.829494 (E_RNA)
where:
Base-Base interactions energy: -179.638
where: short stacking energy: -72.859
Base-Backbone interact. energy: -0.089
local terms energy: -93.101909
where:
bonds (distance) C4'-P energy: -19.354
bonds (distance) P-C4' energy: -17.060
flat angles C4'-P-C4' energy: -18.472
flat angles P-C4'-P energy: -13.348
tors. eta vs tors. theta energy: -24.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -279.724655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.724655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.724655 (E_RNA)
where:
Base-Base interactions energy: -188.248
where: short stacking energy: -74.274
Base-Backbone interact. energy: -0.001
local terms energy: -91.475750
where:
bonds (distance) C4'-P energy: -15.745
bonds (distance) P-C4' energy: -18.806
flat angles C4'-P-C4' energy: -18.239
flat angles P-C4'-P energy: -11.748
tors. eta vs tors. theta energy: -26.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -268.240114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.240114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.240114 (E_RNA)
where:
Base-Base interactions energy: -186.678
where: short stacking energy: -84.136
Base-Backbone interact. energy: 0.276
local terms energy: -81.838654
where:
bonds (distance) C4'-P energy: -12.040
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -16.347
flat angles P-C4'-P energy: -11.298
tors. eta vs tors. theta energy: -25.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -185.199241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.199241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.199241 (E_RNA)
where:
Base-Base interactions energy: -120.398
where: short stacking energy: -52.191
Base-Backbone interact. energy: 1.762
local terms energy: -66.563559
where:
bonds (distance) C4'-P energy: -20.256
bonds (distance) P-C4' energy: -19.828
flat angles C4'-P-C4' energy: -16.043
flat angles P-C4'-P energy: -3.720
tors. eta vs tors. theta energy: -6.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -91.361524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.361524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.361524 (E_RNA)
where:
Base-Base interactions energy: -42.082
where: short stacking energy: -36.600
Base-Backbone interact. energy: -0.204
local terms energy: -49.075818
where:
bonds (distance) C4'-P energy: -15.615
bonds (distance) P-C4' energy: -14.987
flat angles C4'-P-C4' energy: -6.954
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -2.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -105.212181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.212181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.212181 (E_RNA)
where:
Base-Base interactions energy: -46.814
where: short stacking energy: -32.876
Base-Backbone interact. energy: -0.984
local terms energy: -57.413870
where:
bonds (distance) C4'-P energy: -12.743
bonds (distance) P-C4' energy: -19.013
flat angles C4'-P-C4' energy: -15.792
flat angles P-C4'-P energy: -6.032
tors. eta vs tors. theta energy: -3.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -83.245519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.245519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.245519 (E_RNA)
where:
Base-Base interactions energy: -22.387
where: short stacking energy: -22.069
Base-Backbone interact. energy: -0.387
local terms energy: -60.471339
where:
bonds (distance) C4'-P energy: -16.457
bonds (distance) P-C4' energy: -14.187
flat angles C4'-P-C4' energy: -11.053
flat angles P-C4'-P energy: -15.431
tors. eta vs tors. theta energy: -3.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -295.624388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.624388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.624388 (E_RNA)
where:
Base-Base interactions energy: -195.254
where: short stacking energy: -84.668
Base-Backbone interact. energy: -2.419
local terms energy: -97.951042
where:
bonds (distance) C4'-P energy: -16.692
bonds (distance) P-C4' energy: -19.272
flat angles C4'-P-C4' energy: -20.733
flat angles P-C4'-P energy: -13.652
tors. eta vs tors. theta energy: -27.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -288.777799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.777799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.777799 (E_RNA)
where:
Base-Base interactions energy: -195.803
where: short stacking energy: -79.136
Base-Backbone interact. energy: -0.102
local terms energy: -92.873572
where:
bonds (distance) C4'-P energy: -14.857
bonds (distance) P-C4' energy: -20.413
flat angles C4'-P-C4' energy: -20.972
flat angles P-C4'-P energy: -12.339
tors. eta vs tors. theta energy: -24.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -274.687752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.687752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.687752 (E_RNA)
where:
Base-Base interactions energy: -183.921
where: short stacking energy: -73.779
Base-Backbone interact. energy: 0.379
local terms energy: -91.145294
where:
bonds (distance) C4'-P energy: -19.052
bonds (distance) P-C4' energy: -18.826
flat angles C4'-P-C4' energy: -21.085
flat angles P-C4'-P energy: -10.787
tors. eta vs tors. theta energy: -21.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -273.881312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.881312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.881312 (E_RNA)
where:
Base-Base interactions energy: -184.703
where: short stacking energy: -73.553
Base-Backbone interact. energy: -0.594
local terms energy: -88.585167
where:
bonds (distance) C4'-P energy: -19.713
bonds (distance) P-C4' energy: -12.785
flat angles C4'-P-C4' energy: -19.289
flat angles P-C4'-P energy: -12.930
tors. eta vs tors. theta energy: -23.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -272.585784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.585784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.585784 (E_RNA)
where:
Base-Base interactions energy: -192.902
where: short stacking energy: -77.708
Base-Backbone interact. energy: -0.174
local terms energy: -79.509607
where:
bonds (distance) C4'-P energy: -13.826
bonds (distance) P-C4' energy: -12.424
flat angles C4'-P-C4' energy: -20.914
flat angles P-C4'-P energy: -11.935
tors. eta vs tors. theta energy: -20.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -272.061302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.061302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.061302 (E_RNA)
where:
Base-Base interactions energy: -174.874
where: short stacking energy: -68.282
Base-Backbone interact. energy: -0.493
local terms energy: -96.693843
where:
bonds (distance) C4'-P energy: -17.388
bonds (distance) P-C4' energy: -22.078
flat angles C4'-P-C4' energy: -16.481
flat angles P-C4'-P energy: -14.200
tors. eta vs tors. theta energy: -26.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -185.839737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.839737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.839737 (E_RNA)
where:
Base-Base interactions energy: -118.456
where: short stacking energy: -52.787
Base-Backbone interact. energy: -0.800
local terms energy: -66.583895
where:
bonds (distance) C4'-P energy: -13.478
bonds (distance) P-C4' energy: -13.833
flat angles C4'-P-C4' energy: -14.363
flat angles P-C4'-P energy: -15.198
tors. eta vs tors. theta energy: -9.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -116.085153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.085153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.085153 (E_RNA)
where:
Base-Base interactions energy: -63.088
where: short stacking energy: -38.735
Base-Backbone interact. energy: -0.118
local terms energy: -52.878403
where:
bonds (distance) C4'-P energy: -10.073
bonds (distance) P-C4' energy: -17.090
flat angles C4'-P-C4' energy: -16.265
flat angles P-C4'-P energy: -9.123
tors. eta vs tors. theta energy: -0.328
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: 9, replica: 7
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -91.092385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.092385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.092385 (E_RNA)
where:
Base-Base interactions energy: -35.613
where: short stacking energy: -35.613
Base-Backbone interact. energy: 0.394
local terms energy: -55.873382
where:
bonds (distance) C4'-P energy: -9.002
bonds (distance) P-C4' energy: -17.796
flat angles C4'-P-C4' energy: -16.363
flat angles P-C4'-P energy: -6.807
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: 10, replica: 10
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -93.795124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.795124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.795124 (E_RNA)
where:
Base-Base interactions energy: -43.347
where: short stacking energy: -39.511
Base-Backbone interact. energy: -0.189
local terms energy: -50.258562
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -10.176
flat angles P-C4'-P energy: -8.872
tors. eta vs tors. theta energy: -0.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -293.906257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.906257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.906257 (E_RNA)
where:
Base-Base interactions energy: -190.386
where: short stacking energy: -76.948
Base-Backbone interact. energy: -0.787
local terms energy: -102.732832
where:
bonds (distance) C4'-P energy: -22.082
bonds (distance) P-C4' energy: -19.891
flat angles C4'-P-C4' energy: -20.103
flat angles P-C4'-P energy: -16.805
tors. eta vs tors. theta energy: -23.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -295.914362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.914362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.914362 (E_RNA)
where:
Base-Base interactions energy: -208.958
where: short stacking energy: -89.243
Base-Backbone interact. energy: -0.038
local terms energy: -86.918631
where:
bonds (distance) C4'-P energy: -19.154
bonds (distance) P-C4' energy: -13.173
flat angles C4'-P-C4' energy: -18.668
flat angles P-C4'-P energy: -11.951
tors. eta vs tors. theta energy: -23.973
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: 351
Temperature: 1.000000
Total energy: -287.352832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.352832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.352832 (E_RNA)
where:
Base-Base interactions energy: -194.968
where: short stacking energy: -84.075
Base-Backbone interact. energy: -0.024
local terms energy: -92.360759
where:
bonds (distance) C4'-P energy: -16.461
bonds (distance) P-C4' energy: -18.897
flat angles C4'-P-C4' energy: -19.633
flat angles P-C4'-P energy: -11.509
tors. eta vs tors. theta energy: -25.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 351
Temperature: 1.050000
Total energy: -271.163243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.163243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.163243 (E_RNA)
where:
Base-Base interactions energy: -186.354
where: short stacking energy: -72.632
Base-Backbone interact. energy: -0.631
local terms energy: -84.178165
where:
bonds (distance) C4'-P energy: -16.174
bonds (distance) P-C4' energy: -15.415
flat angles C4'-P-C4' energy: -19.954
flat angles P-C4'-P energy: -11.485
tors. eta vs tors. theta energy: -21.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -272.246767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.246767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.246767 (E_RNA)
where:
Base-Base interactions energy: -188.220
where: short stacking energy: -75.153
Base-Backbone interact. energy: -0.200
local terms energy: -83.827210
where:
bonds (distance) C4'-P energy: -19.055
bonds (distance) P-C4' energy: -15.149
flat angles C4'-P-C4' energy: -16.995
flat angles P-C4'-P energy: -10.365
tors. eta vs tors. theta energy: -22.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -262.525121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.525121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.525121 (E_RNA)
where:
Base-Base interactions energy: -173.612
where: short stacking energy: -74.881
Base-Backbone interact. energy: -0.421
local terms energy: -88.491380
where:
bonds (distance) C4'-P energy: -16.049
bonds (distance) P-C4' energy: -17.439
flat angles C4'-P-C4' energy: -19.606
flat angles P-C4'-P energy: -11.723
tors. eta vs tors. theta energy: -23.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -189.200948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.200948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.200948 (E_RNA)
where:
Base-Base interactions energy: -117.044
where: short stacking energy: -53.170
Base-Backbone interact. energy: 0.339
local terms energy: -72.495731
where:
bonds (distance) C4'-P energy: -17.044
bonds (distance) P-C4' energy: -18.760
flat angles C4'-P-C4' energy: -17.299
flat angles P-C4'-P energy: -9.960
tors. eta vs tors. theta energy: -9.432
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -106.556687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.556687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.556687 (E_RNA)
where:
Base-Base interactions energy: -51.726
where: short stacking energy: -30.271
Base-Backbone interact. energy: -0.187
local terms energy: -54.643735
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -17.825
flat angles C4'-P-C4' energy: -11.760
flat angles P-C4'-P energy: -10.213
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: 9, replica: 7
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -88.894030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.894030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.894030 (E_RNA)
where:
Base-Base interactions energy: -41.524
where: short stacking energy: -37.218
Base-Backbone interact. energy: -0.160
local terms energy: -47.210927
where:
bonds (distance) C4'-P energy: -14.078
bonds (distance) P-C4' energy: -13.763
flat angles C4'-P-C4' energy: -15.316
flat angles P-C4'-P energy: -1.929
tors. eta vs tors. theta energy: -2.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -85.599663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.599663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.599663 (E_RNA)
where:
Base-Base interactions energy: -28.435
where: short stacking energy: -21.980
Base-Backbone interact. energy: 0.019
local terms energy: -57.183668
where:
bonds (distance) C4'-P energy: -15.849
bonds (distance) P-C4' energy: -18.890
flat angles C4'-P-C4' energy: -13.989
flat angles P-C4'-P energy: -10.010
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: 1
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -284.685090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.685090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.685090 (E_RNA)
where:
Base-Base interactions energy: -187.384
where: short stacking energy: -80.399
Base-Backbone interact. energy: -0.007
local terms energy: -97.293935
where:
bonds (distance) C4'-P energy: -19.747
bonds (distance) P-C4' energy: -15.671
flat angles C4'-P-C4' energy: -21.420
flat angles P-C4'-P energy: -11.782
tors. eta vs tors. theta energy: -28.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -284.227788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.227788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.227788 (E_RNA)
where:
Base-Base interactions energy: -191.973
where: short stacking energy: -79.782
Base-Backbone interact. energy: -0.630
local terms energy: -91.625093
where:
bonds (distance) C4'-P energy: -14.449
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -21.119
flat angles P-C4'-P energy: -12.323
tors. eta vs tors. theta energy: -24.905
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: 3, replica: 4
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -281.291528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.291528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.291528 (E_RNA)
where:
Base-Base interactions energy: -193.337
where: short stacking energy: -82.097
Base-Backbone interact. energy: -0.006
local terms energy: -87.948169
where:
bonds (distance) C4'-P energy: -16.304
bonds (distance) P-C4' energy: -19.893
flat angles C4'-P-C4' energy: -17.393
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: -24.533
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: 8
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -270.687065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.687065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.687065 (E_RNA)
where:
Base-Base interactions energy: -183.002
where: short stacking energy: -74.203
Base-Backbone interact. energy: -0.331
local terms energy: -87.353619
where:
bonds (distance) C4'-P energy: -15.318
bonds (distance) P-C4' energy: -18.305
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: -14.700
tors. eta vs tors. theta energy: -23.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -270.303766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.303766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.303766 (E_RNA)
where:
Base-Base interactions energy: -176.418
where: short stacking energy: -75.510
Base-Backbone interact. energy: -0.159
local terms energy: -93.726347
where:
bonds (distance) C4'-P energy: -17.681
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -21.037
flat angles P-C4'-P energy: -10.855
tors. eta vs tors. theta energy: -26.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -268.242353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.242353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.242353 (E_RNA)
where:
Base-Base interactions energy: -176.350
where: short stacking energy: -84.829
Base-Backbone interact. energy: 1.798
local terms energy: -93.690232
where:
bonds (distance) C4'-P energy: -18.361
bonds (distance) P-C4' energy: -15.192
flat angles C4'-P-C4' energy: -20.382
flat angles P-C4'-P energy: -13.732
tors. eta vs tors. theta energy: -26.024
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: 7, replica: 9
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -206.188904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.188904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.188904 (E_RNA)
where:
Base-Base interactions energy: -131.915
where: short stacking energy: -56.307
Base-Backbone interact. energy: -1.068
local terms energy: -73.205286
where:
bonds (distance) C4'-P energy: -12.407
bonds (distance) P-C4' energy: -19.777
flat angles C4'-P-C4' energy: -19.186
flat angles P-C4'-P energy: -7.181
tors. eta vs tors. theta energy: -14.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -103.126329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.126329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.126329 (E_RNA)
where:
Base-Base interactions energy: -41.150
where: short stacking energy: -40.870
Base-Backbone interact. energy: -0.457
local terms energy: -61.519175
where:
bonds (distance) C4'-P energy: -13.707
bonds (distance) P-C4' energy: -18.580
flat angles C4'-P-C4' energy: -14.437
flat angles P-C4'-P energy: -8.989
tors. eta vs tors. theta energy: -5.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -104.017813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.017813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.017813 (E_RNA)
where:
Base-Base interactions energy: -45.637
where: short stacking energy: -39.560
Base-Backbone interact. energy: -0.136
local terms energy: -58.245341
where:
bonds (distance) C4'-P energy: -17.393
bonds (distance) P-C4' energy: -19.792
flat angles C4'-P-C4' energy: -10.561
flat angles P-C4'-P energy: -6.241
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: 10, replica: 7
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -98.022943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.022943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.022943 (E_RNA)
where:
Base-Base interactions energy: -43.050
where: short stacking energy: -43.050
Base-Backbone interact. energy: -0.038
local terms energy: -54.934932
where:
bonds (distance) C4'-P energy: -14.808
bonds (distance) P-C4' energy: -14.410
flat angles C4'-P-C4' energy: -11.899
flat angles P-C4'-P energy: -2.682
tors. eta vs tors. theta energy: -11.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -284.595031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.595031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.595031 (E_RNA)
where:
Base-Base interactions energy: -189.090
where: short stacking energy: -83.179
Base-Backbone interact. energy: -0.439
local terms energy: -95.065964
where:
bonds (distance) C4'-P energy: -20.920
bonds (distance) P-C4' energy: -15.170
flat angles C4'-P-C4' energy: -19.296
flat angles P-C4'-P energy: -16.256
tors. eta vs tors. theta energy: -23.424
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: 4
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -287.363046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.363046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.363046 (E_RNA)
where:
Base-Base interactions energy: -198.316
where: short stacking energy: -82.643
Base-Backbone interact. energy: -0.017
local terms energy: -89.030713
where:
bonds (distance) C4'-P energy: -15.966
bonds (distance) P-C4' energy: -17.608
flat angles C4'-P-C4' energy: -19.212
flat angles P-C4'-P energy: -13.943
tors. eta vs tors. theta energy: -22.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -283.697089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.697089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.697089 (E_RNA)
where:
Base-Base interactions energy: -190.287
where: short stacking energy: -78.013
Base-Backbone interact. energy: -1.752
local terms energy: -91.658872
where:
bonds (distance) C4'-P energy: -16.899
bonds (distance) P-C4' energy: -19.429
flat angles C4'-P-C4' energy: -17.288
flat angles P-C4'-P energy: -10.829
tors. eta vs tors. theta energy: -27.213
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: 5
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -270.485744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.485744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.485744 (E_RNA)
where:
Base-Base interactions energy: -183.786
where: short stacking energy: -83.789
Base-Backbone interact. energy: -0.811
local terms energy: -85.888753
where:
bonds (distance) C4'-P energy: -15.876
bonds (distance) P-C4' energy: -16.552
flat angles C4'-P-C4' energy: -17.384
flat angles P-C4'-P energy: -12.025
tors. eta vs tors. theta energy: -24.053
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: 8
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -258.680958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.680958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.680958 (E_RNA)
where:
Base-Base interactions energy: -179.202
where: short stacking energy: -69.546
Base-Backbone interact. energy: 1.253
local terms energy: -80.731868
where:
bonds (distance) C4'-P energy: -18.138
bonds (distance) P-C4' energy: -17.892
flat angles C4'-P-C4' energy: -11.873
flat angles P-C4'-P energy: -15.057
tors. eta vs tors. theta energy: -17.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 353
Temperature: 1.150000
Total energy: -267.957950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.957950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.957950 (E_RNA)
where:
Base-Base interactions energy: -183.368
where: short stacking energy: -76.255
Base-Backbone interact. energy: -1.842
local terms energy: -82.747753
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -17.606
flat angles C4'-P-C4' energy: -18.981
flat angles P-C4'-P energy: -8.222
tors. eta vs tors. theta energy: -23.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -196.539761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.539761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.539761 (E_RNA)
where:
Base-Base interactions energy: -135.282
where: short stacking energy: -48.258
Base-Backbone interact. energy: -0.033
local terms energy: -61.225064
where:
bonds (distance) C4'-P energy: -11.219
bonds (distance) P-C4' energy: -18.033
flat angles C4'-P-C4' energy: -12.708
flat angles P-C4'-P energy: -6.438
tors. eta vs tors. theta energy: -12.828
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: 8, replica: 10
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -126.849079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.849079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.849079 (E_RNA)
where:
Base-Base interactions energy: -55.989
where: short stacking energy: -35.840
Base-Backbone interact. energy: -0.018
local terms energy: -70.842249
where:
bonds (distance) C4'-P energy: -18.663
bonds (distance) P-C4' energy: -17.450
flat angles C4'-P-C4' energy: -13.193
flat angles P-C4'-P energy: -11.498
tors. eta vs tors. theta energy: -10.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -90.883796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.883796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.883796 (E_RNA)
where:
Base-Base interactions energy: -39.181
where: short stacking energy: -29.811
Base-Backbone interact. energy: 0.701
local terms energy: -52.403594
where:
bonds (distance) C4'-P energy: -15.310
bonds (distance) P-C4' energy: -14.555
flat angles C4'-P-C4' energy: -15.795
flat angles P-C4'-P energy: -6.341
tors. eta vs tors. theta energy: -0.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -91.637701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.637701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.637701 (E_RNA)
where:
Base-Base interactions energy: -40.237
where: short stacking energy: -40.237
Base-Backbone interact. energy: -0.017
local terms energy: -51.384204
where:
bonds (distance) C4'-P energy: -14.803
bonds (distance) P-C4' energy: -10.949
flat angles C4'-P-C4' energy: -13.387
flat angles P-C4'-P energy: -7.613
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: 1, replica: 4
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -301.136687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.136687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.136687 (E_RNA)
where:
Base-Base interactions energy: -199.944
where: short stacking energy: -84.047
Base-Backbone interact. energy: -0.087
local terms energy: -101.105061
where:
bonds (distance) C4'-P energy: -19.838
bonds (distance) P-C4' energy: -16.888
flat angles C4'-P-C4' energy: -22.975
flat angles P-C4'-P energy: -11.493
tors. eta vs tors. theta energy: -29.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -289.807385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.807385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.807385 (E_RNA)
where:
Base-Base interactions energy: -192.081
where: short stacking energy: -80.236
Base-Backbone interact. energy: -0.002
local terms energy: -97.723861
where:
bonds (distance) C4'-P energy: -18.895
bonds (distance) P-C4' energy: -20.132
flat angles C4'-P-C4' energy: -19.416
flat angles P-C4'-P energy: -14.931
tors. eta vs tors. theta energy: -24.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -287.315708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.315708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.315708 (E_RNA)
where:
Base-Base interactions energy: -197.874
where: short stacking energy: -83.312
Base-Backbone interact. energy: -0.002
local terms energy: -89.439301
where:
bonds (distance) C4'-P energy: -16.807
bonds (distance) P-C4' energy: -17.240
flat angles C4'-P-C4' energy: -17.068
flat angles P-C4'-P energy: -13.173
tors. eta vs tors. theta energy: -25.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -278.995484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.995484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.995484 (E_RNA)
where:
Base-Base interactions energy: -194.370
where: short stacking energy: -72.946
Base-Backbone interact. energy: -0.013
local terms energy: -84.612430
where:
bonds (distance) C4'-P energy: -9.794
bonds (distance) P-C4' energy: -18.930
flat angles C4'-P-C4' energy: -15.551
flat angles P-C4'-P energy: -15.925
tors. eta vs tors. theta energy: -24.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -272.181098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.181098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.181098 (E_RNA)
where:
Base-Base interactions energy: -184.058
where: short stacking energy: -78.524
Base-Backbone interact. energy: -0.872
local terms energy: -87.250868
where:
bonds (distance) C4'-P energy: -14.332
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -18.379
flat angles P-C4'-P energy: -11.273
tors. eta vs tors. theta energy: -25.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -262.604352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.604352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.604352 (E_RNA)
where:
Base-Base interactions energy: -183.530
where: short stacking energy: -64.339
Base-Backbone interact. energy: -0.050
local terms energy: -79.024575
where:
bonds (distance) C4'-P energy: -17.230
bonds (distance) P-C4' energy: -17.293
flat angles C4'-P-C4' energy: -17.310
flat angles P-C4'-P energy: -5.337
tors. eta vs tors. theta energy: -21.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -245.426535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.426535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.426535 (E_RNA)
where:
Base-Base interactions energy: -166.154
where: short stacking energy: -69.288
Base-Backbone interact. energy: -0.048
local terms energy: -79.224876
where:
bonds (distance) C4'-P energy: -13.653
bonds (distance) P-C4' energy: -18.088
flat angles C4'-P-C4' energy: -20.430
flat angles P-C4'-P energy: -9.642
tors. eta vs tors. theta energy: -17.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -100.302758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.302758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.302758 (E_RNA)
where:
Base-Base interactions energy: -42.292
where: short stacking energy: -41.169
Base-Backbone interact. energy: -0.427
local terms energy: -57.584278
where:
bonds (distance) C4'-P energy: -16.978
bonds (distance) P-C4' energy: -15.884
flat angles C4'-P-C4' energy: -10.130
flat angles P-C4'-P energy: -12.331
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: 9, replica: 7
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -88.060234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.060234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.060234 (E_RNA)
where:
Base-Base interactions energy: -28.293
where: short stacking energy: -28.293
Base-Backbone interact. energy: -0.550
local terms energy: -59.217213
where:
bonds (distance) C4'-P energy: -8.718
bonds (distance) P-C4' energy: -19.537
flat angles C4'-P-C4' energy: -16.743
flat angles P-C4'-P energy: -10.656
tors. eta vs tors. theta energy: -3.563
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: 6
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -91.866109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.866109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.866109 (E_RNA)
where:
Base-Base interactions energy: -35.408
where: short stacking energy: -34.855
Base-Backbone interact. energy: -0.090
local terms energy: -56.368946
where:
bonds (distance) C4'-P energy: -15.317
bonds (distance) P-C4' energy: -20.112
flat angles C4'-P-C4' energy: -8.547
flat angles P-C4'-P energy: -13.630
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: 1, replica: 4
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -288.011151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.011151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.011151 (E_RNA)
where:
Base-Base interactions energy: -186.997
where: short stacking energy: -75.747
Base-Backbone interact. energy: -0.364
local terms energy: -100.650239
where:
bonds (distance) C4'-P energy: -18.724
bonds (distance) P-C4' energy: -20.560
flat angles C4'-P-C4' energy: -20.379
flat angles P-C4'-P energy: -16.664
tors. eta vs tors. theta energy: -24.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -290.725978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.725978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.725978 (E_RNA)
where:
Base-Base interactions energy: -201.242
where: short stacking energy: -89.271
Base-Backbone interact. energy: -0.832
local terms energy: -88.652091
where:
bonds (distance) C4'-P energy: -13.919
bonds (distance) P-C4' energy: -14.673
flat angles C4'-P-C4' energy: -20.571
flat angles P-C4'-P energy: -13.235
tors. eta vs tors. theta energy: -26.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -275.788336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.788336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.788336 (E_RNA)
where:
Base-Base interactions energy: -184.565
where: short stacking energy: -76.532
Base-Backbone interact. energy: -1.153
local terms energy: -90.070234
where:
bonds (distance) C4'-P energy: -19.619
bonds (distance) P-C4' energy: -19.231
flat angles C4'-P-C4' energy: -19.976
flat angles P-C4'-P energy: -11.305
tors. eta vs tors. theta energy: -19.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -268.235039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.235039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.235039 (E_RNA)
where:
Base-Base interactions energy: -182.457
where: short stacking energy: -78.070
Base-Backbone interact. energy: -0.903
local terms energy: -84.874959
where:
bonds (distance) C4'-P energy: -12.007
bonds (distance) P-C4' energy: -17.901
flat angles C4'-P-C4' energy: -18.287
flat angles P-C4'-P energy: -12.431
tors. eta vs tors. theta energy: -24.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -272.094289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.094289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.094289 (E_RNA)
where:
Base-Base interactions energy: -178.184
where: short stacking energy: -74.080
Base-Backbone interact. energy: -0.043
local terms energy: -93.867765
where:
bonds (distance) C4'-P energy: -18.314
bonds (distance) P-C4' energy: -19.217
flat angles C4'-P-C4' energy: -20.360
flat angles P-C4'-P energy: -9.480
tors. eta vs tors. theta energy: -26.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -274.294752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.294752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.294752 (E_RNA)
where:
Base-Base interactions energy: -190.134
where: short stacking energy: -72.810
Base-Backbone interact. energy: -0.913
local terms energy: -83.248087
where:
bonds (distance) C4'-P energy: -16.787
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -15.184
flat angles P-C4'-P energy: -13.371
tors. eta vs tors. theta energy: -20.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -250.855307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.855307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.855307 (E_RNA)
where:
Base-Base interactions energy: -163.858
where: short stacking energy: -73.618
Base-Backbone interact. energy: -0.161
local terms energy: -86.836411
where:
bonds (distance) C4'-P energy: -17.032
bonds (distance) P-C4' energy: -20.365
flat angles C4'-P-C4' energy: -22.013
flat angles P-C4'-P energy: -6.492
tors. eta vs tors. theta energy: -20.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -96.245208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.245208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.245208 (E_RNA)
where:
Base-Base interactions energy: -37.750
where: short stacking energy: -37.750
Base-Backbone interact. energy: -0.096
local terms energy: -58.399677
where:
bonds (distance) C4'-P energy: -11.666
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -15.156
flat angles P-C4'-P energy: -12.232
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: 9, replica: 10
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -101.102163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.102163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.102163 (E_RNA)
where:
Base-Base interactions energy: -36.788
where: short stacking energy: -23.028
Base-Backbone interact. energy: -0.164
local terms energy: -64.149874
where:
bonds (distance) C4'-P energy: -18.688
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -13.467
flat angles P-C4'-P energy: -10.951
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: 10, replica: 6
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -92.564459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.564459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.564459 (E_RNA)
where:
Base-Base interactions energy: -34.529
where: short stacking energy: -25.114
Base-Backbone interact. energy: -0.177
local terms energy: -57.858548
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -21.859
flat angles C4'-P-C4' energy: -11.644
flat angles P-C4'-P energy: -7.886
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: 1
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -296.117778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.117778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.117778 (E_RNA)
where:
Base-Base interactions energy: -203.405
where: short stacking energy: -87.562
Base-Backbone interact. energy: -0.107
local terms energy: -92.605054
where:
bonds (distance) C4'-P energy: -15.332
bonds (distance) P-C4' energy: -22.579
flat angles C4'-P-C4' energy: -18.454
flat angles P-C4'-P energy: -9.967
tors. eta vs tors. theta energy: -26.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -286.939201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.939201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.939201 (E_RNA)
where:
Base-Base interactions energy: -188.973
where: short stacking energy: -69.856
Base-Backbone interact. energy: -0.069
local terms energy: -97.897665
where:
bonds (distance) C4'-P energy: -19.979
bonds (distance) P-C4' energy: -21.225
flat angles C4'-P-C4' energy: -20.056
flat angles P-C4'-P energy: -11.612
tors. eta vs tors. theta energy: -25.026
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: 3, replica: 2
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -282.952033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.952033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.952033 (E_RNA)
where:
Base-Base interactions energy: -194.620
where: short stacking energy: -82.584
Base-Backbone interact. energy: -0.899
local terms energy: -87.433000
where:
bonds (distance) C4'-P energy: -10.637
bonds (distance) P-C4' energy: -18.798
flat angles C4'-P-C4' energy: -17.961
flat angles P-C4'-P energy: -14.975
tors. eta vs tors. theta energy: -25.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -270.500236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.500236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.500236 (E_RNA)
where:
Base-Base interactions energy: -180.415
where: short stacking energy: -81.954
Base-Backbone interact. energy: -0.007
local terms energy: -90.078489
where:
bonds (distance) C4'-P energy: -17.048
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -17.013
flat angles P-C4'-P energy: -14.351
tors. eta vs tors. theta energy: -25.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -265.956706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.956706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.956706 (E_RNA)
where:
Base-Base interactions energy: -179.697
where: short stacking energy: -70.281
Base-Backbone interact. energy: -0.386
local terms energy: -85.873783
where:
bonds (distance) C4'-P energy: -14.556
bonds (distance) P-C4' energy: -19.841
flat angles C4'-P-C4' energy: -17.411
flat angles P-C4'-P energy: -9.940
tors. eta vs tors. theta energy: -24.126
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: 5
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -254.447332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.447332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.447332 (E_RNA)
where:
Base-Base interactions energy: -178.563
where: short stacking energy: -71.981
Base-Backbone interact. energy: -0.405
local terms energy: -75.479753
where:
bonds (distance) C4'-P energy: -12.046
bonds (distance) P-C4' energy: -16.236
flat angles C4'-P-C4' energy: -13.079
flat angles P-C4'-P energy: -14.356
tors. eta vs tors. theta energy: -19.762
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: 9
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -269.309171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.309171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.309171 (E_RNA)
where:
Base-Base interactions energy: -175.552
where: short stacking energy: -68.560
Base-Backbone interact. energy: -1.404
local terms energy: -92.352636
where:
bonds (distance) C4'-P energy: -18.939
bonds (distance) P-C4' energy: -18.728
flat angles C4'-P-C4' energy: -18.783
flat angles P-C4'-P energy: -13.548
tors. eta vs tors. theta energy: -22.354
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: 7
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -94.816441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.816441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.816441 (E_RNA)
where:
Base-Base interactions energy: -32.756
where: short stacking energy: -32.756
Base-Backbone interact. energy: -0.009
local terms energy: -62.051157
where:
bonds (distance) C4'-P energy: -14.172
bonds (distance) P-C4' energy: -17.972
flat angles C4'-P-C4' energy: -11.760
flat angles P-C4'-P energy: -15.242
tors. eta vs tors. theta energy: -2.907
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: 9, replica: 6
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -99.724998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.724998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.724998 (E_RNA)
where:
Base-Base interactions energy: -41.931
where: short stacking energy: -41.931
Base-Backbone interact. energy: -0.506
local terms energy: -57.287663
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -20.272
flat angles C4'-P-C4' energy: -17.136
flat angles P-C4'-P energy: -3.816
tors. eta vs tors. theta energy: -2.561
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: 10, replica: 10
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -91.849102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.849102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.849102 (E_RNA)
where:
Base-Base interactions energy: -34.637
where: short stacking energy: -32.248
Base-Backbone interact. energy: -0.202
local terms energy: -57.009913
where:
bonds (distance) C4'-P energy: -11.264
bonds (distance) P-C4' energy: -18.868
flat angles C4'-P-C4' energy: -11.633
flat angles P-C4'-P energy: -14.679
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: 1
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -296.182739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.182739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.182739 (E_RNA)
where:
Base-Base interactions energy: -193.886
where: short stacking energy: -76.977
Base-Backbone interact. energy: -0.297
local terms energy: -101.999518
where:
bonds (distance) C4'-P energy: -19.109
bonds (distance) P-C4' energy: -21.496
flat angles C4'-P-C4' energy: -22.605
flat angles P-C4'-P energy: -12.596
tors. eta vs tors. theta energy: -26.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -290.095458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.095458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.095458 (E_RNA)
where:
Base-Base interactions energy: -202.241
where: short stacking energy: -85.145
Base-Backbone interact. energy: 0.738
local terms energy: -88.592262
where:
bonds (distance) C4'-P energy: -10.592
bonds (distance) P-C4' energy: -19.766
flat angles C4'-P-C4' energy: -17.965
flat angles P-C4'-P energy: -13.186
tors. eta vs tors. theta energy: -27.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -281.528341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.528341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.528341 (E_RNA)
where:
Base-Base interactions energy: -191.835
where: short stacking energy: -79.943
Base-Backbone interact. energy: -0.177
local terms energy: -89.515998
where:
bonds (distance) C4'-P energy: -20.145
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -17.153
flat angles P-C4'-P energy: -14.615
tors. eta vs tors. theta energy: -24.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -278.650229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.650229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.650229 (E_RNA)
where:
Base-Base interactions energy: -184.203
where: short stacking energy: -78.852
Base-Backbone interact. energy: -0.015
local terms energy: -94.432822
where:
bonds (distance) C4'-P energy: -16.998
bonds (distance) P-C4' energy: -17.900
flat angles C4'-P-C4' energy: -20.530
flat angles P-C4'-P energy: -12.864
tors. eta vs tors. theta energy: -26.142
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: 8
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -274.542181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.542181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.542181 (E_RNA)
where:
Base-Base interactions energy: -190.770
where: short stacking energy: -79.714
Base-Backbone interact. energy: -0.616
local terms energy: -83.156178
where:
bonds (distance) C4'-P energy: -10.937
bonds (distance) P-C4' energy: -16.807
flat angles C4'-P-C4' energy: -20.672
flat angles P-C4'-P energy: -11.376
tors. eta vs tors. theta energy: -23.364
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: 9
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -265.415982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.415982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.415982 (E_RNA)
where:
Base-Base interactions energy: -176.731
where: short stacking energy: -77.539
Base-Backbone interact. energy: -0.372
local terms energy: -88.313226
where:
bonds (distance) C4'-P energy: -16.125
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -17.579
flat angles P-C4'-P energy: -12.269
tors. eta vs tors. theta energy: -25.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -268.342094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.342094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.342094 (E_RNA)
where:
Base-Base interactions energy: -174.347
where: short stacking energy: -71.581
Base-Backbone interact. energy: -0.043
local terms energy: -93.952248
where:
bonds (distance) C4'-P energy: -18.726
bonds (distance) P-C4' energy: -16.939
flat angles C4'-P-C4' energy: -21.399
flat angles P-C4'-P energy: -14.787
tors. eta vs tors. theta energy: -22.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -98.327875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.327875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.327875 (E_RNA)
where:
Base-Base interactions energy: -31.033
where: short stacking energy: -22.495
Base-Backbone interact. energy: -0.044
local terms energy: -67.251126
where:
bonds (distance) C4'-P energy: -17.486
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -16.357
flat angles P-C4'-P energy: -10.729
tors. eta vs tors. theta energy: -5.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -95.715201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.715201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.715201 (E_RNA)
where:
Base-Base interactions energy: -36.600
where: short stacking energy: -33.970
Base-Backbone interact. energy: 0.402
local terms energy: -59.517234
where:
bonds (distance) C4'-P energy: -13.873
bonds (distance) P-C4' energy: -17.839
flat angles C4'-P-C4' energy: -11.107
flat angles P-C4'-P energy: -10.773
tors. eta vs tors. theta energy: -5.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -96.429151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.429151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.429151 (E_RNA)
where:
Base-Base interactions energy: -34.688
where: short stacking energy: -20.008
Base-Backbone interact. energy: -0.359
local terms energy: -61.382727
where:
bonds (distance) C4'-P energy: -15.633
bonds (distance) P-C4' energy: -18.378
flat angles C4'-P-C4' energy: -13.717
flat angles P-C4'-P energy: -8.652
tors. eta vs tors. theta energy: -5.004
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: 1, replica: 2
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -293.330342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.330342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.330342 (E_RNA)
where:
Base-Base interactions energy: -200.904
where: short stacking energy: -79.587
Base-Backbone interact. energy: -0.475
local terms energy: -91.951115
where:
bonds (distance) C4'-P energy: -14.217
bonds (distance) P-C4' energy: -18.703
flat angles C4'-P-C4' energy: -21.130
flat angles P-C4'-P energy: -14.906
tors. eta vs tors. theta energy: -22.995
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: 1
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -296.734304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.734304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.734304 (E_RNA)
where:
Base-Base interactions energy: -194.680
where: short stacking energy: -81.750
Base-Backbone interact. energy: -1.104
local terms energy: -100.949889
where:
bonds (distance) C4'-P energy: -17.811
bonds (distance) P-C4' energy: -17.722
flat angles C4'-P-C4' energy: -23.072
flat angles P-C4'-P energy: -15.975
tors. eta vs tors. theta energy: -26.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -283.721318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.721318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.721318 (E_RNA)
where:
Base-Base interactions energy: -182.349
where: short stacking energy: -70.179
Base-Backbone interact. energy: -0.649
local terms energy: -100.723762
where:
bonds (distance) C4'-P energy: -19.723
bonds (distance) P-C4' energy: -19.305
flat angles C4'-P-C4' energy: -19.097
flat angles P-C4'-P energy: -16.629
tors. eta vs tors. theta energy: -25.970
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: 3
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -295.021579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.021579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.021579 (E_RNA)
where:
Base-Base interactions energy: -198.453
where: short stacking energy: -81.014
Base-Backbone interact. energy: -1.764
local terms energy: -94.803804
where:
bonds (distance) C4'-P energy: -19.689
bonds (distance) P-C4' energy: -19.482
flat angles C4'-P-C4' energy: -18.000
flat angles P-C4'-P energy: -16.240
tors. eta vs tors. theta energy: -21.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -271.470930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.470930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.470930 (E_RNA)
where:
Base-Base interactions energy: -185.978
where: short stacking energy: -74.634
Base-Backbone interact. energy: 3.575
local terms energy: -89.067145
where:
bonds (distance) C4'-P energy: -17.710
bonds (distance) P-C4' energy: -17.923
flat angles C4'-P-C4' energy: -18.349
flat angles P-C4'-P energy: -9.475
tors. eta vs tors. theta energy: -25.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -259.039782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.039782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.039782 (E_RNA)
where:
Base-Base interactions energy: -175.032
where: short stacking energy: -74.487
Base-Backbone interact. energy: -0.104
local terms energy: -83.903916
where:
bonds (distance) C4'-P energy: -17.123
bonds (distance) P-C4' energy: -13.473
flat angles C4'-P-C4' energy: -15.668
flat angles P-C4'-P energy: -15.905
tors. eta vs tors. theta energy: -21.735
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: 5
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -253.203194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.203194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.203194 (E_RNA)
where:
Base-Base interactions energy: -178.190
where: short stacking energy: -78.180
Base-Backbone interact. energy: -0.065
local terms energy: -74.947782
where:
bonds (distance) C4'-P energy: -16.521
bonds (distance) P-C4' energy: -12.226
flat angles C4'-P-C4' energy: -17.300
flat angles P-C4'-P energy: -11.238
tors. eta vs tors. theta energy: -17.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -91.721513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.721513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.721513 (E_RNA)
where:
Base-Base interactions energy: -31.920
where: short stacking energy: -29.017
Base-Backbone interact. energy: -0.112
local terms energy: -59.689626
where:
bonds (distance) C4'-P energy: -20.491
bonds (distance) P-C4' energy: -13.984
flat angles C4'-P-C4' energy: -16.610
flat angles P-C4'-P energy: -5.718
tors. eta vs tors. theta energy: -2.887
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: 10
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -92.623600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.623600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.623600 (E_RNA)
where:
Base-Base interactions energy: -38.524
where: short stacking energy: -30.133
Base-Backbone interact. energy: 1.087
local terms energy: -55.186301
where:
bonds (distance) C4'-P energy: -15.972
bonds (distance) P-C4' energy: -14.229
flat angles C4'-P-C4' energy: -7.941
flat angles P-C4'-P energy: -8.321
tors. eta vs tors. theta energy: -8.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -106.880225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.880225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.880225 (E_RNA)
where:
Base-Base interactions energy: -42.862
where: short stacking energy: -42.862
Base-Backbone interact. energy: -0.089
local terms energy: -63.929405
where:
bonds (distance) C4'-P energy: -17.553
bonds (distance) P-C4' energy: -14.854
flat angles C4'-P-C4' energy: -13.463
flat angles P-C4'-P energy: -11.076
tors. eta vs tors. theta energy: -6.983
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: 1, replica: 2
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -292.496309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.496309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.496309 (E_RNA)
where:
Base-Base interactions energy: -196.626
where: short stacking energy: -81.750
Base-Backbone interact. energy: -0.002
local terms energy: -95.867991
where:
bonds (distance) C4'-P energy: -18.459
bonds (distance) P-C4' energy: -18.872
flat angles C4'-P-C4' energy: -18.498
flat angles P-C4'-P energy: -14.915
tors. eta vs tors. theta energy: -25.125
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: 4
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -292.758974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.758974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.758974 (E_RNA)
where:
Base-Base interactions energy: -197.705
where: short stacking energy: -88.950
Base-Backbone interact. energy: -1.453
local terms energy: -93.600353
where:
bonds (distance) C4'-P energy: -13.860
bonds (distance) P-C4' energy: -19.188
flat angles C4'-P-C4' energy: -20.587
flat angles P-C4'-P energy: -14.990
tors. eta vs tors. theta energy: -24.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -279.309577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.309577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.309577 (E_RNA)
where:
Base-Base interactions energy: -184.776
where: short stacking energy: -82.115
Base-Backbone interact. energy: -0.446
local terms energy: -94.087492
where:
bonds (distance) C4'-P energy: -21.337
bonds (distance) P-C4' energy: -19.319
flat angles C4'-P-C4' energy: -19.177
flat angles P-C4'-P energy: -11.850
tors. eta vs tors. theta energy: -22.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -272.649150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.649150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.649150 (E_RNA)
where:
Base-Base interactions energy: -182.259
where: short stacking energy: -77.743
Base-Backbone interact. energy: -0.053
local terms energy: -90.336920
where:
bonds (distance) C4'-P energy: -21.046
bonds (distance) P-C4' energy: -14.502
flat angles C4'-P-C4' energy: -19.477
flat angles P-C4'-P energy: -12.450
tors. eta vs tors. theta energy: -22.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -270.666866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.666866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.666866 (E_RNA)
where:
Base-Base interactions energy: -187.935
where: short stacking energy: -69.923
Base-Backbone interact. energy: -0.413
local terms energy: -82.318618
where:
bonds (distance) C4'-P energy: -16.598
bonds (distance) P-C4' energy: -18.248
flat angles C4'-P-C4' energy: -11.068
flat angles P-C4'-P energy: -13.172
tors. eta vs tors. theta energy: -23.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -276.359302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.359302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.359302 (E_RNA)
where:
Base-Base interactions energy: -184.750
where: short stacking energy: -72.046
Base-Backbone interact. energy: -0.759
local terms energy: -90.849781
where:
bonds (distance) C4'-P energy: -17.723
bonds (distance) P-C4' energy: -19.016
flat angles C4'-P-C4' energy: -16.200
flat angles P-C4'-P energy: -15.449
tors. eta vs tors. theta energy: -22.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -239.577414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.577414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.577414 (E_RNA)
where:
Base-Base interactions energy: -153.742
where: short stacking energy: -65.730
Base-Backbone interact. energy: -0.247
local terms energy: -85.588584
where:
bonds (distance) C4'-P energy: -21.767
bonds (distance) P-C4' energy: -17.613
flat angles C4'-P-C4' energy: -13.474
flat angles P-C4'-P energy: -13.076
tors. eta vs tors. theta energy: -19.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -95.350934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.350934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.350934 (E_RNA)
where:
Base-Base interactions energy: -42.061
where: short stacking energy: -25.198
Base-Backbone interact. energy: -1.365
local terms energy: -51.924723
where:
bonds (distance) C4'-P energy: -14.544
bonds (distance) P-C4' energy: -17.253
flat angles C4'-P-C4' energy: -13.987
flat angles P-C4'-P energy: -8.703
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: 9, replica: 6
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -92.567304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.567304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.567304 (E_RNA)
where:
Base-Base interactions energy: -35.457
where: short stacking energy: -16.889
Base-Backbone interact. energy: -0.189
local terms energy: -56.922006
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -18.697
flat angles C4'-P-C4' energy: -15.439
flat angles P-C4'-P energy: -5.563
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: 10, replica: 7
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -80.982587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.982587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.982587 (E_RNA)
where:
Base-Base interactions energy: -24.877
where: short stacking energy: -21.560
Base-Backbone interact. energy: -0.463
local terms energy: -55.642282
where:
bonds (distance) C4'-P energy: -9.841
bonds (distance) P-C4' energy: -15.242
flat angles C4'-P-C4' energy: -15.606
flat angles P-C4'-P energy: -11.461
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: 1, replica: 4
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -297.132949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.132949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.132949 (E_RNA)
where:
Base-Base interactions energy: -201.839
where: short stacking energy: -87.039
Base-Backbone interact. energy: -1.238
local terms energy: -94.055362
where:
bonds (distance) C4'-P energy: -17.491
bonds (distance) P-C4' energy: -18.733
flat angles C4'-P-C4' energy: -18.540
flat angles P-C4'-P energy: -12.652
tors. eta vs tors. theta energy: -26.640
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: 2
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -284.895529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.895529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.895529 (E_RNA)
where:
Base-Base interactions energy: -187.543
where: short stacking energy: -79.417
Base-Backbone interact. energy: -0.651
local terms energy: -96.702188
where:
bonds (distance) C4'-P energy: -18.910
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -18.695
flat angles P-C4'-P energy: -13.358
tors. eta vs tors. theta energy: -27.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -280.899416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.899416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.899416 (E_RNA)
where:
Base-Base interactions energy: -186.779
where: short stacking energy: -87.669
Base-Backbone interact. energy: -0.056
local terms energy: -94.064246
where:
bonds (distance) C4'-P energy: -20.282
bonds (distance) P-C4' energy: -14.656
flat angles C4'-P-C4' energy: -20.152
flat angles P-C4'-P energy: -13.909
tors. eta vs tors. theta energy: -25.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -272.826362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.826362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.826362 (E_RNA)
where:
Base-Base interactions energy: -188.956
where: short stacking energy: -79.043
Base-Backbone interact. energy: -0.001
local terms energy: -83.869119
where:
bonds (distance) C4'-P energy: -11.591
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -18.085
flat angles P-C4'-P energy: -10.542
tors. eta vs tors. theta energy: -26.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -262.661308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.661308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.661308 (E_RNA)
where:
Base-Base interactions energy: -189.349
where: short stacking energy: -76.100
Base-Backbone interact. energy: 0.970
local terms energy: -74.282850
where:
bonds (distance) C4'-P energy: -20.123
bonds (distance) P-C4' energy: -6.512
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -12.708
tors. eta vs tors. theta energy: -20.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -267.184020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.184020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.184020 (E_RNA)
where:
Base-Base interactions energy: -179.166
where: short stacking energy: -81.564
Base-Backbone interact. energy: -0.306
local terms energy: -87.712848
where:
bonds (distance) C4'-P energy: -18.508
bonds (distance) P-C4' energy: -13.190
flat angles C4'-P-C4' energy: -19.502
flat angles P-C4'-P energy: -10.859
tors. eta vs tors. theta energy: -25.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -249.474792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.474792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.474792 (E_RNA)
where:
Base-Base interactions energy: -165.793
where: short stacking energy: -69.816
Base-Backbone interact. energy: -0.753
local terms energy: -82.928711
where:
bonds (distance) C4'-P energy: -18.704
bonds (distance) P-C4' energy: -17.242
flat angles C4'-P-C4' energy: -17.407
flat angles P-C4'-P energy: -10.274
tors. eta vs tors. theta energy: -19.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -101.641665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.641665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.641665 (E_RNA)
where:
Base-Base interactions energy: -38.137
where: short stacking energy: -30.096
Base-Backbone interact. energy: -0.139
local terms energy: -63.366062
where:
bonds (distance) C4'-P energy: -16.460
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -16.876
flat angles P-C4'-P energy: -9.734
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: 9, replica: 7
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -105.113542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.113542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.113542 (E_RNA)
where:
Base-Base interactions energy: -35.902
where: short stacking energy: -35.643
Base-Backbone interact. energy: -0.110
local terms energy: -69.100860
where:
bonds (distance) C4'-P energy: -17.668
bonds (distance) P-C4' energy: -19.844
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -9.782
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: 10, replica: 6
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -86.196064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.196064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.196064 (E_RNA)
where:
Base-Base interactions energy: -24.875
where: short stacking energy: -25.489
Base-Backbone interact. energy: -0.365
local terms energy: -60.956345
where:
bonds (distance) C4'-P energy: -18.175
bonds (distance) P-C4' energy: -19.148
flat angles C4'-P-C4' energy: -10.957
flat angles P-C4'-P energy: -12.593
tors. eta vs tors. theta energy: -0.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -290.413958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.413958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.413958 (E_RNA)
where:
Base-Base interactions energy: -197.937
where: short stacking energy: -83.178
Base-Backbone interact. energy: -0.003
local terms energy: -92.473972
where:
bonds (distance) C4'-P energy: -16.935
bonds (distance) P-C4' energy: -19.332
flat angles C4'-P-C4' energy: -20.437
flat angles P-C4'-P energy: -9.515
tors. eta vs tors. theta energy: -26.255
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -288.770935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.770935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.770935 (E_RNA)
where:
Base-Base interactions energy: -192.414
where: short stacking energy: -77.519
Base-Backbone interact. energy: -0.002
local terms energy: -96.354595
where:
bonds (distance) C4'-P energy: -16.245
bonds (distance) P-C4' energy: -19.160
flat angles C4'-P-C4' energy: -20.399
flat angles P-C4'-P energy: -16.704
tors. eta vs tors. theta energy: -23.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -279.806764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.806764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.806764 (E_RNA)
where:
Base-Base interactions energy: -187.883
where: short stacking energy: -77.096
Base-Backbone interact. energy: -0.702
local terms energy: -91.221584
where:
bonds (distance) C4'-P energy: -16.923
bonds (distance) P-C4' energy: -18.308
flat angles C4'-P-C4' energy: -20.655
flat angles P-C4'-P energy: -13.548
tors. eta vs tors. theta energy: -21.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -282.996877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.996877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.996877 (E_RNA)
where:
Base-Base interactions energy: -182.938
where: short stacking energy: -76.842
Base-Backbone interact. energy: -1.474
local terms energy: -98.585027
where:
bonds (distance) C4'-P energy: -19.933
bonds (distance) P-C4' energy: -19.371
flat angles C4'-P-C4' energy: -17.903
flat angles P-C4'-P energy: -13.370
tors. eta vs tors. theta energy: -28.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -272.171213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.171213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.171213 (E_RNA)
where:
Base-Base interactions energy: -185.223
where: short stacking energy: -79.364
Base-Backbone interact. energy: -0.528
local terms energy: -86.420242
where:
bonds (distance) C4'-P energy: -15.668
bonds (distance) P-C4' energy: -18.554
flat angles C4'-P-C4' energy: -20.102
flat angles P-C4'-P energy: -12.935
tors. eta vs tors. theta energy: -19.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -277.279443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.279443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.279443 (E_RNA)
where:
Base-Base interactions energy: -188.390
where: short stacking energy: -70.741
Base-Backbone interact. energy: -0.357
local terms energy: -88.532831
where:
bonds (distance) C4'-P energy: -18.489
bonds (distance) P-C4' energy: -17.257
flat angles C4'-P-C4' energy: -18.221
flat angles P-C4'-P energy: -13.413
tors. eta vs tors. theta energy: -21.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -247.287368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.287368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.287368 (E_RNA)
where:
Base-Base interactions energy: -162.021
where: short stacking energy: -66.009
Base-Backbone interact. energy: -1.292
local terms energy: -83.974484
where:
bonds (distance) C4'-P energy: -18.872
bonds (distance) P-C4' energy: -19.150
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -9.246
tors. eta vs tors. theta energy: -21.679
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: 10
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -103.730129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.730129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.730129 (E_RNA)
where:
Base-Base interactions energy: -45.254
where: short stacking energy: -31.383
Base-Backbone interact. energy: -1.216
local terms energy: -57.260494
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -19.721
flat angles C4'-P-C4' energy: -19.365
flat angles P-C4'-P energy: -2.969
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: 361
Temperature: 1.300000
Total energy: -91.324875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.324875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.324875 (E_RNA)
where:
Base-Base interactions energy: -32.227
where: short stacking energy: -30.509
Base-Backbone interact. energy: 1.123
local terms energy: -60.220252
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -15.589
flat angles C4'-P-C4' energy: -15.710
flat angles P-C4'-P energy: -10.922
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: 10, replica: 6
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -94.042597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.042597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.042597 (E_RNA)
where:
Base-Base interactions energy: -43.866
where: short stacking energy: -22.696
Base-Backbone interact. energy: 0.453
local terms energy: -50.629772
where:
bonds (distance) C4'-P energy: -11.264
bonds (distance) P-C4' energy: -16.535
flat angles C4'-P-C4' energy: -18.056
flat angles P-C4'-P energy: -8.435
tors. eta vs tors. theta energy: 3.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -295.430653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.430653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.430653 (E_RNA)
where:
Base-Base interactions energy: -205.835
where: short stacking energy: -82.587
Base-Backbone interact. energy: -0.009
local terms energy: -89.587273
where:
bonds (distance) C4'-P energy: -16.965
bonds (distance) P-C4' energy: -17.497
flat angles C4'-P-C4' energy: -19.170
flat angles P-C4'-P energy: -10.716
tors. eta vs tors. theta energy: -25.240
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: 4
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -281.817625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.817625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.817625 (E_RNA)
where:
Base-Base interactions energy: -187.442
where: short stacking energy: -79.556
Base-Backbone interact. energy: 1.243
local terms energy: -95.618253
where:
bonds (distance) C4'-P energy: -20.529
bonds (distance) P-C4' energy: -16.670
flat angles C4'-P-C4' energy: -19.370
flat angles P-C4'-P energy: -14.613
tors. eta vs tors. theta energy: -24.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -284.154113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.154113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.154113 (E_RNA)
where:
Base-Base interactions energy: -190.829
where: short stacking energy: -79.341
Base-Backbone interact. energy: -1.352
local terms energy: -91.972985
where:
bonds (distance) C4'-P energy: -17.434
bonds (distance) P-C4' energy: -16.761
flat angles C4'-P-C4' energy: -21.001
flat angles P-C4'-P energy: -13.097
tors. eta vs tors. theta energy: -23.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -278.408911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.408911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.408911 (E_RNA)
where:
Base-Base interactions energy: -192.985
where: short stacking energy: -75.895
Base-Backbone interact. energy: -1.682
local terms energy: -83.741588
where:
bonds (distance) C4'-P energy: -14.499
bonds (distance) P-C4' energy: -20.874
flat angles C4'-P-C4' energy: -18.056
flat angles P-C4'-P energy: -10.392
tors. eta vs tors. theta energy: -19.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -268.972578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.972578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.972578 (E_RNA)
where:
Base-Base interactions energy: -183.815
where: short stacking energy: -76.627
Base-Backbone interact. energy: -0.422
local terms energy: -84.735643
where:
bonds (distance) C4'-P energy: -15.806
bonds (distance) P-C4' energy: -17.483
flat angles C4'-P-C4' energy: -15.838
flat angles P-C4'-P energy: -14.564
tors. eta vs tors. theta energy: -21.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -255.054519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.054519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.054519 (E_RNA)
where:
Base-Base interactions energy: -175.419
where: short stacking energy: -73.639
Base-Backbone interact. energy: -0.013
local terms energy: -79.622660
where:
bonds (distance) C4'-P energy: -12.208
bonds (distance) P-C4' energy: -14.726
flat angles C4'-P-C4' energy: -19.272
flat angles P-C4'-P energy: -12.861
tors. eta vs tors. theta energy: -20.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -252.500920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.500920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.500920 (E_RNA)
where:
Base-Base interactions energy: -163.810
where: short stacking energy: -74.367
Base-Backbone interact. energy: -0.860
local terms energy: -87.831190
where:
bonds (distance) C4'-P energy: -17.703
bonds (distance) P-C4' energy: -20.799
flat angles C4'-P-C4' energy: -16.852
flat angles P-C4'-P energy: -12.316
tors. eta vs tors. theta energy: -20.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -104.630485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.630485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.630485 (E_RNA)
where:
Base-Base interactions energy: -57.052
where: short stacking energy: -33.738
Base-Backbone interact. energy: -0.248
local terms energy: -47.330147
where:
bonds (distance) C4'-P energy: -13.915
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -9.061
flat angles P-C4'-P energy: -10.641
tors. eta vs tors. theta energy: 1.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -97.772822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.772822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.772822 (E_RNA)
where:
Base-Base interactions energy: -26.245
where: short stacking energy: -24.061
Base-Backbone interact. energy: -0.153
local terms energy: -71.374837
where:
bonds (distance) C4'-P energy: -15.923
bonds (distance) P-C4' energy: -22.325
flat angles C4'-P-C4' energy: -15.854
flat angles P-C4'-P energy: -14.249
tors. eta vs tors. theta energy: -3.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -82.179114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.179114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.179114 (E_RNA)
where:
Base-Base interactions energy: -29.987
where: short stacking energy: -29.051
Base-Backbone interact. energy: -0.029
local terms energy: -52.163585
where:
bonds (distance) C4'-P energy: -10.517
bonds (distance) P-C4' energy: -17.981
flat angles C4'-P-C4' energy: -17.616
flat angles P-C4'-P energy: -4.813
tors. eta vs tors. theta energy: -1.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -289.859154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.859154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.859154 (E_RNA)
where:
Base-Base interactions energy: -191.509
where: short stacking energy: -87.327
Base-Backbone interact. energy: -1.229
local terms energy: -97.120549
where:
bonds (distance) C4'-P energy: -18.009
bonds (distance) P-C4' energy: -18.224
flat angles C4'-P-C4' energy: -19.400
flat angles P-C4'-P energy: -15.878
tors. eta vs tors. theta energy: -25.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -290.027163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.027163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.027163 (E_RNA)
where:
Base-Base interactions energy: -191.933
where: short stacking energy: -76.806
Base-Backbone interact. energy: -0.468
local terms energy: -97.625440
where:
bonds (distance) C4'-P energy: -20.013
bonds (distance) P-C4' energy: -17.560
flat angles C4'-P-C4' energy: -18.029
flat angles P-C4'-P energy: -17.349
tors. eta vs tors. theta energy: -24.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -286.908766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.908766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.908766 (E_RNA)
where:
Base-Base interactions energy: -197.505
where: short stacking energy: -81.798
Base-Backbone interact. energy: -0.010
local terms energy: -89.393720
where:
bonds (distance) C4'-P energy: -14.845
bonds (distance) P-C4' energy: -19.013
flat angles C4'-P-C4' energy: -18.349
flat angles P-C4'-P energy: -13.112
tors. eta vs tors. theta energy: -24.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -280.915153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.915153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.915153 (E_RNA)
where:
Base-Base interactions energy: -194.441
where: short stacking energy: -80.496
Base-Backbone interact. energy: -0.712
local terms energy: -85.762817
where:
bonds (distance) C4'-P energy: -12.709
bonds (distance) P-C4' energy: -21.775
flat angles C4'-P-C4' energy: -18.088
flat angles P-C4'-P energy: -11.598
tors. eta vs tors. theta energy: -21.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 363
Temperature: 1.100000
Total energy: -272.250929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.250929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.250929 (E_RNA)
where:
Base-Base interactions energy: -185.339
where: short stacking energy: -79.890
Base-Backbone interact. energy: -0.800
local terms energy: -86.112151
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -15.236
flat angles C4'-P-C4' energy: -20.755
flat angles P-C4'-P energy: -12.149
tors. eta vs tors. theta energy: -22.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -258.945403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.945403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.945403 (E_RNA)
where:
Base-Base interactions energy: -184.028
where: short stacking energy: -68.456
Base-Backbone interact. energy: 0.715
local terms energy: -75.632298
where:
bonds (distance) C4'-P energy: -13.624
bonds (distance) P-C4' energy: -14.493
flat angles C4'-P-C4' energy: -13.089
flat angles P-C4'-P energy: -14.458
tors. eta vs tors. theta energy: -19.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -252.845150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.845150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.845150 (E_RNA)
where:
Base-Base interactions energy: -171.659
where: short stacking energy: -67.157
Base-Backbone interact. energy: -0.007
local terms energy: -81.180070
where:
bonds (distance) C4'-P energy: -11.253
bonds (distance) P-C4' energy: -18.615
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -12.371
tors. eta vs tors. theta energy: -22.598
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: 8, replica: 6
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -104.688760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.688760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.688760 (E_RNA)
where:
Base-Base interactions energy: -54.663
where: short stacking energy: -28.365
Base-Backbone interact. energy: -0.298
local terms energy: -49.728027
where:
bonds (distance) C4'-P energy: -11.584
bonds (distance) P-C4' energy: -12.030
flat angles C4'-P-C4' energy: -13.439
flat angles P-C4'-P energy: -10.976
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: 9, replica: 10
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -98.741500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.741500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.741500 (E_RNA)
where:
Base-Base interactions energy: -29.761
where: short stacking energy: -30.561
Base-Backbone interact. energy: -0.240
local terms energy: -68.740326
where:
bonds (distance) C4'-P energy: -16.312
bonds (distance) P-C4' energy: -19.463
flat angles C4'-P-C4' energy: -9.586
flat angles P-C4'-P energy: -16.667
tors. eta vs tors. theta energy: -6.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -99.217725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.217725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.217725 (E_RNA)
where:
Base-Base interactions energy: -41.400
where: short stacking energy: -36.825
Base-Backbone interact. energy: -0.191
local terms energy: -57.626899
where:
bonds (distance) C4'-P energy: -12.432
bonds (distance) P-C4' energy: -14.836
flat angles C4'-P-C4' energy: -14.942
flat angles P-C4'-P energy: -9.681
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: 1, replica: 1
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -290.584078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.584078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.584078 (E_RNA)
where:
Base-Base interactions energy: -195.382
where: short stacking energy: -87.273
Base-Backbone interact. energy: -0.160
local terms energy: -95.041927
where:
bonds (distance) C4'-P energy: -16.834
bonds (distance) P-C4' energy: -19.315
flat angles C4'-P-C4' energy: -20.459
flat angles P-C4'-P energy: -16.413
tors. eta vs tors. theta energy: -22.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -276.410131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.410131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.410131 (E_RNA)
where:
Base-Base interactions energy: -184.809
where: short stacking energy: -85.952
Base-Backbone interact. energy: -0.739
local terms energy: -90.861699
where:
bonds (distance) C4'-P energy: -17.655
bonds (distance) P-C4' energy: -17.172
flat angles C4'-P-C4' energy: -17.882
flat angles P-C4'-P energy: -12.591
tors. eta vs tors. theta energy: -25.561
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: 364
Temperature: 1.000000
Total energy: -285.887090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.887090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.887090 (E_RNA)
where:
Base-Base interactions energy: -194.370
where: short stacking energy: -74.010
Base-Backbone interact. energy: -1.017
local terms energy: -90.500233
where:
bonds (distance) C4'-P energy: -13.071
bonds (distance) P-C4' energy: -17.621
flat angles C4'-P-C4' energy: -19.201
flat angles P-C4'-P energy: -15.014
tors. eta vs tors. theta energy: -25.593
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: 364
Temperature: 1.050000
Total energy: -279.038414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.038414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.038414 (E_RNA)
where:
Base-Base interactions energy: -184.114
where: short stacking energy: -81.772
Base-Backbone interact. energy: -0.004
local terms energy: -94.920859
where:
bonds (distance) C4'-P energy: -17.057
bonds (distance) P-C4' energy: -18.231
flat angles C4'-P-C4' energy: -18.152
flat angles P-C4'-P energy: -15.765
tors. eta vs tors. theta energy: -25.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -269.881808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.881808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.881808 (E_RNA)
where:
Base-Base interactions energy: -180.398
where: short stacking energy: -69.269
Base-Backbone interact. energy: -0.003
local terms energy: -89.480927
where:
bonds (distance) C4'-P energy: -13.421
bonds (distance) P-C4' energy: -20.553
flat angles C4'-P-C4' energy: -17.545
flat angles P-C4'-P energy: -15.811
tors. eta vs tors. theta energy: -22.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -261.993461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.993461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.993461 (E_RNA)
where:
Base-Base interactions energy: -173.292
where: short stacking energy: -75.144
Base-Backbone interact. energy: -0.013
local terms energy: -88.688149
where:
bonds (distance) C4'-P energy: -15.132
bonds (distance) P-C4' energy: -19.734
flat angles C4'-P-C4' energy: -16.526
flat angles P-C4'-P energy: -12.967
tors. eta vs tors. theta energy: -24.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -267.085374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.085374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.085374 (E_RNA)
where:
Base-Base interactions energy: -184.559
where: short stacking energy: -79.495
Base-Backbone interact. energy: -0.003
local terms energy: -82.523916
where:
bonds (distance) C4'-P energy: -16.353
bonds (distance) P-C4' energy: -14.316
flat angles C4'-P-C4' energy: -15.910
flat angles P-C4'-P energy: -9.940
tors. eta vs tors. theta energy: -26.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -94.849721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.849721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.849721 (E_RNA)
where:
Base-Base interactions energy: -31.549
where: short stacking energy: -24.344
Base-Backbone interact. energy: -0.286
local terms energy: -63.014694
where:
bonds (distance) C4'-P energy: -17.013
bonds (distance) P-C4' energy: -13.464
flat angles C4'-P-C4' energy: -16.897
flat angles P-C4'-P energy: -16.384
tors. eta vs tors. theta energy: 0.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -101.863788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.863788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.863788 (E_RNA)
where:
Base-Base interactions energy: -36.901
where: short stacking energy: -35.158
Base-Backbone interact. energy: -0.075
local terms energy: -64.887863
where:
bonds (distance) C4'-P energy: -15.972
bonds (distance) P-C4' energy: -19.605
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -6.633
tors. eta vs tors. theta energy: -8.044
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: 10
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -91.674854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.674854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.674854 (E_RNA)
where:
Base-Base interactions energy: -32.810
where: short stacking energy: -30.247
Base-Backbone interact. energy: 2.236
local terms energy: -61.100698
where:
bonds (distance) C4'-P energy: -13.462
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -14.081
flat angles P-C4'-P energy: -12.906
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: 1, replica: 1
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -291.671530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.671530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.671530 (E_RNA)
where:
Base-Base interactions energy: -203.415
where: short stacking energy: -83.678
Base-Backbone interact. energy: -0.183
local terms energy: -88.073149
where:
bonds (distance) C4'-P energy: -16.455
bonds (distance) P-C4' energy: -16.940
flat angles C4'-P-C4' energy: -19.815
flat angles P-C4'-P energy: -10.664
tors. eta vs tors. theta energy: -24.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -284.712972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.712972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.712972 (E_RNA)
where:
Base-Base interactions energy: -192.043
where: short stacking energy: -85.651
Base-Backbone interact. energy: -0.108
local terms energy: -92.562235
where:
bonds (distance) C4'-P energy: -18.732
bonds (distance) P-C4' energy: -18.516
flat angles C4'-P-C4' energy: -19.848
flat angles P-C4'-P energy: -11.157
tors. eta vs tors. theta energy: -24.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -287.265900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.265900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.265900 (E_RNA)
where:
Base-Base interactions energy: -191.560
where: short stacking energy: -74.813
Base-Backbone interact. energy: -0.909
local terms energy: -94.797478
where:
bonds (distance) C4'-P energy: -17.503
bonds (distance) P-C4' energy: -22.585
flat angles C4'-P-C4' energy: -18.205
flat angles P-C4'-P energy: -13.186
tors. eta vs tors. theta energy: -23.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 365
Temperature: 1.050000
Total energy: -279.153910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.153910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.153910 (E_RNA)
where:
Base-Base interactions energy: -191.940
where: short stacking energy: -77.512
Base-Backbone interact. energy: -0.092
local terms energy: -87.122402
where:
bonds (distance) C4'-P energy: -16.591
bonds (distance) P-C4' energy: -18.543
flat angles C4'-P-C4' energy: -21.315
flat angles P-C4'-P energy: -7.376
tors. eta vs tors. theta energy: -23.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -255.080710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.080710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.080710 (E_RNA)
where:
Base-Base interactions energy: -165.006
where: short stacking energy: -66.234
Base-Backbone interact. energy: -0.322
local terms energy: -89.752413
where:
bonds (distance) C4'-P energy: -21.341
bonds (distance) P-C4' energy: -18.783
flat angles C4'-P-C4' energy: -16.207
flat angles P-C4'-P energy: -13.883
tors. eta vs tors. theta energy: -19.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -263.482984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.482984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.482984 (E_RNA)
where:
Base-Base interactions energy: -175.323
where: short stacking energy: -69.382
Base-Backbone interact. energy: -0.178
local terms energy: -87.981658
where:
bonds (distance) C4'-P energy: -17.993
bonds (distance) P-C4' energy: -13.630
flat angles C4'-P-C4' energy: -21.072
flat angles P-C4'-P energy: -14.203
tors. eta vs tors. theta energy: -21.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -264.229500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.229500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.229500 (E_RNA)
where:
Base-Base interactions energy: -178.634
where: short stacking energy: -70.369
Base-Backbone interact. energy: -0.812
local terms energy: -84.783228
where:
bonds (distance) C4'-P energy: -18.228
bonds (distance) P-C4' energy: -15.966
flat angles C4'-P-C4' energy: -16.955
flat angles P-C4'-P energy: -9.158
tors. eta vs tors. theta energy: -24.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -106.842178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.842178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.842178 (E_RNA)
where:
Base-Base interactions energy: -51.146
where: short stacking energy: -31.741
Base-Backbone interact. energy: -0.165
local terms energy: -55.531872
where:
bonds (distance) C4'-P energy: -12.896
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -16.181
flat angles P-C4'-P energy: -9.602
tors. eta vs tors. theta energy: -0.912
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: 9, replica: 7
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -88.380372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.380372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.380372 (E_RNA)
where:
Base-Base interactions energy: -38.476
where: short stacking energy: -32.535
Base-Backbone interact. energy: -0.537
local terms energy: -49.367995
where:
bonds (distance) C4'-P energy: -11.733
bonds (distance) P-C4' energy: -16.369
flat angles C4'-P-C4' energy: -15.509
flat angles P-C4'-P energy: -9.895
tors. eta vs tors. theta energy: 4.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -84.386516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.386516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.386516 (E_RNA)
where:
Base-Base interactions energy: -43.810
where: short stacking energy: -22.345
Base-Backbone interact. energy: 0.140
local terms energy: -40.716579
where:
bonds (distance) C4'-P energy: -14.873
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -4.755
flat angles P-C4'-P energy: -5.401
tors. eta vs tors. theta energy: 0.254
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: 1, replica: 2
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -288.977010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.977010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.977010 (E_RNA)
where:
Base-Base interactions energy: -196.109
where: short stacking energy: -82.641
Base-Backbone interact. energy: -0.149
local terms energy: -92.718668
where:
bonds (distance) C4'-P energy: -16.612
bonds (distance) P-C4' energy: -18.352
flat angles C4'-P-C4' energy: -19.559
flat angles P-C4'-P energy: -9.178
tors. eta vs tors. theta energy: -29.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -295.224225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.224225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.224225 (E_RNA)
where:
Base-Base interactions energy: -199.508
where: short stacking energy: -84.367
Base-Backbone interact. energy: -0.022
local terms energy: -95.694076
where:
bonds (distance) C4'-P energy: -19.077
bonds (distance) P-C4' energy: -20.287
flat angles C4'-P-C4' energy: -16.507
flat angles P-C4'-P energy: -14.256
tors. eta vs tors. theta energy: -25.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -280.521629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.521629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.521629 (E_RNA)
where:
Base-Base interactions energy: -185.283
where: short stacking energy: -83.738
Base-Backbone interact. energy: -1.076
local terms energy: -94.163473
where:
bonds (distance) C4'-P energy: -20.761
bonds (distance) P-C4' energy: -19.392
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -14.509
tors. eta vs tors. theta energy: -23.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 366
Temperature: 1.050000
Total energy: -278.000015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.000015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.000015 (E_RNA)
where:
Base-Base interactions energy: -191.907
where: short stacking energy: -77.377
Base-Backbone interact. energy: -2.056
local terms energy: -84.037039
where:
bonds (distance) C4'-P energy: -17.434
bonds (distance) P-C4' energy: -12.559
flat angles C4'-P-C4' energy: -18.551
flat angles P-C4'-P energy: -11.596
tors. eta vs tors. theta energy: -23.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -276.171141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.171141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.171141 (E_RNA)
where:
Base-Base interactions energy: -192.029
where: short stacking energy: -75.871
Base-Backbone interact. energy: -0.003
local terms energy: -84.139110
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -15.351
flat angles C4'-P-C4' energy: -16.346
flat angles P-C4'-P energy: -10.433
tors. eta vs tors. theta energy: -25.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -254.274553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.274553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.274553 (E_RNA)
where:
Base-Base interactions energy: -168.986
where: short stacking energy: -61.624
Base-Backbone interact. energy: -0.951
local terms energy: -84.337929
where:
bonds (distance) C4'-P energy: -18.546
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -19.605
flat angles P-C4'-P energy: -10.601
tors. eta vs tors. theta energy: -18.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -261.276052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.276052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.276052 (E_RNA)
where:
Base-Base interactions energy: -176.759
where: short stacking energy: -72.662
Base-Backbone interact. energy: -0.636
local terms energy: -83.880478
where:
bonds (distance) C4'-P energy: -19.453
bonds (distance) P-C4' energy: -13.250
flat angles C4'-P-C4' energy: -16.797
flat angles P-C4'-P energy: -8.271
tors. eta vs tors. theta energy: -26.109
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: 8, replica: 6
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -109.491734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.491734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.491734 (E_RNA)
where:
Base-Base interactions energy: -40.689
where: short stacking energy: -36.919
Base-Backbone interact. energy: -0.412
local terms energy: -68.391198
where:
bonds (distance) C4'-P energy: -18.161
bonds (distance) P-C4' energy: -18.495
flat angles C4'-P-C4' energy: -14.686
flat angles P-C4'-P energy: -8.434
tors. eta vs tors. theta energy: -8.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -100.993760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.993760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.993760 (E_RNA)
where:
Base-Base interactions energy: -46.008
where: short stacking energy: -26.964
Base-Backbone interact. energy: -0.185
local terms energy: -54.800708
where:
bonds (distance) C4'-P energy: -12.847
bonds (distance) P-C4' energy: -19.400
flat angles C4'-P-C4' energy: -11.735
flat angles P-C4'-P energy: -9.746
tors. eta vs tors. theta energy: -1.072
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: 10
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -87.501646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.501646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.501646 (E_RNA)
where:
Base-Base interactions energy: -28.845
where: short stacking energy: -24.381
Base-Backbone interact. energy: -0.119
local terms energy: -58.537488
where:
bonds (distance) C4'-P energy: -17.138
bonds (distance) P-C4' energy: -15.384
flat angles C4'-P-C4' energy: -11.923
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: -3.588
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: 2
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -292.954453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.954453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.954453 (E_RNA)
where:
Base-Base interactions energy: -197.664
where: short stacking energy: -83.499
Base-Backbone interact. energy: -1.727
local terms energy: -93.563675
where:
bonds (distance) C4'-P energy: -14.750
bonds (distance) P-C4' energy: -21.237
flat angles C4'-P-C4' energy: -18.457
flat angles P-C4'-P energy: -13.015
tors. eta vs tors. theta energy: -26.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -284.932890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.932890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.932890 (E_RNA)
where:
Base-Base interactions energy: -196.846
where: short stacking energy: -82.231
Base-Backbone interact. energy: -0.925
local terms energy: -87.161034
where:
bonds (distance) C4'-P energy: -17.520
bonds (distance) P-C4' energy: -13.700
flat angles C4'-P-C4' energy: -20.390
flat angles P-C4'-P energy: -14.215
tors. eta vs tors. theta energy: -21.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -276.597829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.597829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.597829 (E_RNA)
where:
Base-Base interactions energy: -187.198
where: short stacking energy: -78.699
Base-Backbone interact. energy: -0.001
local terms energy: -89.398981
where:
bonds (distance) C4'-P energy: -17.532
bonds (distance) P-C4' energy: -15.777
flat angles C4'-P-C4' energy: -17.750
flat angles P-C4'-P energy: -11.755
tors. eta vs tors. theta energy: -26.585
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: 5
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -275.488144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.488144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.488144 (E_RNA)
where:
Base-Base interactions energy: -187.752
where: short stacking energy: -73.861
Base-Backbone interact. energy: -0.875
local terms energy: -86.861084
where:
bonds (distance) C4'-P energy: -11.757
bonds (distance) P-C4' energy: -18.019
flat angles C4'-P-C4' energy: -20.539
flat angles P-C4'-P energy: -11.097
tors. eta vs tors. theta energy: -25.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -266.464784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.464784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.464784 (E_RNA)
where:
Base-Base interactions energy: -181.301
where: short stacking energy: -77.072
Base-Backbone interact. energy: -0.656
local terms energy: -84.507640
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -19.088
flat angles C4'-P-C4' energy: -17.352
flat angles P-C4'-P energy: -9.674
tors. eta vs tors. theta energy: -23.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -265.732960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.732960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.732960 (E_RNA)
where:
Base-Base interactions energy: -180.858
where: short stacking energy: -74.841
Base-Backbone interact. energy: -0.021
local terms energy: -84.854251
where:
bonds (distance) C4'-P energy: -10.664
bonds (distance) P-C4' energy: -20.877
flat angles C4'-P-C4' energy: -18.641
flat angles P-C4'-P energy: -14.923
tors. eta vs tors. theta energy: -19.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -246.309753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.309753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.309753 (E_RNA)
where:
Base-Base interactions energy: -158.991
where: short stacking energy: -64.269
Base-Backbone interact. energy: -0.375
local terms energy: -86.943244
where:
bonds (distance) C4'-P energy: -19.664
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -18.910
flat angles P-C4'-P energy: -12.070
tors. eta vs tors. theta energy: -20.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -109.606428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.606428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.606428 (E_RNA)
where:
Base-Base interactions energy: -43.934
where: short stacking energy: -43.735
Base-Backbone interact. energy: 1.375
local terms energy: -67.047596
where:
bonds (distance) C4'-P energy: -19.457
bonds (distance) P-C4' energy: -20.298
flat angles C4'-P-C4' energy: -11.690
flat angles P-C4'-P energy: -3.303
tors. eta vs tors. theta energy: -12.299
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: 9, replica: 6
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -93.096464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.096464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.096464 (E_RNA)
where:
Base-Base interactions energy: -38.932
where: short stacking energy: -38.684
Base-Backbone interact. energy: -0.326
local terms energy: -53.837788
where:
bonds (distance) C4'-P energy: -12.747
bonds (distance) P-C4' energy: -11.338
flat angles C4'-P-C4' energy: -14.722
flat angles P-C4'-P energy: -13.004
tors. eta vs tors. theta energy: -2.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -90.419020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.419020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.419020 (E_RNA)
where:
Base-Base interactions energy: -30.320
where: short stacking energy: -24.293
Base-Backbone interact. energy: -0.144
local terms energy: -59.955378
where:
bonds (distance) C4'-P energy: -14.170
bonds (distance) P-C4' energy: -15.542
flat angles C4'-P-C4' energy: -14.728
flat angles P-C4'-P energy: -14.356
tors. eta vs tors. theta energy: -1.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -295.470567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.470567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.470567 (E_RNA)
where:
Base-Base interactions energy: -195.645
where: short stacking energy: -75.319
Base-Backbone interact. energy: -0.305
local terms energy: -99.520849
where:
bonds (distance) C4'-P energy: -14.779
bonds (distance) P-C4' energy: -20.774
flat angles C4'-P-C4' energy: -21.788
flat angles P-C4'-P energy: -15.056
tors. eta vs tors. theta energy: -27.124
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: 2
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -290.124739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.124739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.124739 (E_RNA)
where:
Base-Base interactions energy: -193.454
where: short stacking energy: -82.294
Base-Backbone interact. energy: -0.402
local terms energy: -96.268498
where:
bonds (distance) C4'-P energy: -20.471
bonds (distance) P-C4' energy: -14.312
flat angles C4'-P-C4' energy: -21.234
flat angles P-C4'-P energy: -13.828
tors. eta vs tors. theta energy: -26.423
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: 3, replica: 5
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -280.042093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.042093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.042093 (E_RNA)
where:
Base-Base interactions energy: -189.604
where: short stacking energy: -75.225
Base-Backbone interact. energy: -0.413
local terms energy: -90.024272
where:
bonds (distance) C4'-P energy: -20.525
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -19.732
flat angles P-C4'-P energy: -8.044
tors. eta vs tors. theta energy: -26.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -277.231174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.231174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.231174 (E_RNA)
where:
Base-Base interactions energy: -187.332
where: short stacking energy: -75.204
Base-Backbone interact. energy: -0.422
local terms energy: -89.477089
where:
bonds (distance) C4'-P energy: -16.854
bonds (distance) P-C4' energy: -15.380
flat angles C4'-P-C4' energy: -18.233
flat angles P-C4'-P energy: -11.613
tors. eta vs tors. theta energy: -27.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -269.730890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.730890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.730890 (E_RNA)
where:
Base-Base interactions energy: -191.587
where: short stacking energy: -79.450
Base-Backbone interact. energy: -0.470
local terms energy: -77.674352
where:
bonds (distance) C4'-P energy: -11.914
bonds (distance) P-C4' energy: -15.319
flat angles C4'-P-C4' energy: -17.977
flat angles P-C4'-P energy: -5.226
tors. eta vs tors. theta energy: -27.239
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: 8
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -258.868461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.868461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.868461 (E_RNA)
where:
Base-Base interactions energy: -176.135
where: short stacking energy: -67.703
Base-Backbone interact. energy: -0.081
local terms energy: -82.652521
where:
bonds (distance) C4'-P energy: -14.245
bonds (distance) P-C4' energy: -12.262
flat angles C4'-P-C4' energy: -18.751
flat angles P-C4'-P energy: -12.469
tors. eta vs tors. theta energy: -24.925
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: 7, replica: 4
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -250.248473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.248473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.248473 (E_RNA)
where:
Base-Base interactions energy: -169.874
where: short stacking energy: -53.332
Base-Backbone interact. energy: -0.253
local terms energy: -80.121803
where:
bonds (distance) C4'-P energy: -14.423
bonds (distance) P-C4' energy: -19.055
flat angles C4'-P-C4' energy: -20.966
flat angles P-C4'-P energy: -14.015
tors. eta vs tors. theta energy: -11.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -105.014244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.014244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.014244 (E_RNA)
where:
Base-Base interactions energy: -43.080
where: short stacking energy: -38.513
Base-Backbone interact. energy: -0.035
local terms energy: -61.899610
where:
bonds (distance) C4'-P energy: -19.147
bonds (distance) P-C4' energy: -16.008
flat angles C4'-P-C4' energy: -13.148
flat angles P-C4'-P energy: -9.846
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: 9, replica: 10
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -84.925813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.925813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.925813 (E_RNA)
where:
Base-Base interactions energy: -39.080
where: short stacking energy: -39.080
Base-Backbone interact. energy: -0.028
local terms energy: -45.818033
where:
bonds (distance) C4'-P energy: -14.529
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: 4.867
flat angles P-C4'-P energy: -11.795
tors. eta vs tors. theta energy: -6.475
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: 6
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -85.448379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.448379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.448379 (E_RNA)
where:
Base-Base interactions energy: -36.563
where: short stacking energy: -36.057
Base-Backbone interact. energy: 0.897
local terms energy: -49.782647
where:
bonds (distance) C4'-P energy: -16.377
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -13.919
flat angles P-C4'-P energy: -5.477
tors. eta vs tors. theta energy: 0.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -291.971514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.971514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.971514 (E_RNA)
where:
Base-Base interactions energy: -200.278
where: short stacking energy: -82.404
Base-Backbone interact. energy: -0.651
local terms energy: -91.042435
where:
bonds (distance) C4'-P energy: -15.735
bonds (distance) P-C4' energy: -19.738
flat angles C4'-P-C4' energy: -19.495
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: -26.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -294.709269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.709269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.709269 (E_RNA)
where:
Base-Base interactions energy: -194.055
where: short stacking energy: -83.065
Base-Backbone interact. energy: -0.786
local terms energy: -99.868344
where:
bonds (distance) C4'-P energy: -16.121
bonds (distance) P-C4' energy: -20.151
flat angles C4'-P-C4' energy: -19.643
flat angles P-C4'-P energy: -15.410
tors. eta vs tors. theta energy: -28.544
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: 2
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -287.904409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.904409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.904409 (E_RNA)
where:
Base-Base interactions energy: -200.694
where: short stacking energy: -73.205
Base-Backbone interact. energy: -0.931
local terms energy: -86.279035
where:
bonds (distance) C4'-P energy: -15.914
bonds (distance) P-C4' energy: -14.529
flat angles C4'-P-C4' energy: -19.953
flat angles P-C4'-P energy: -11.523
tors. eta vs tors. theta energy: -24.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -281.703820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.703820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.703820 (E_RNA)
where:
Base-Base interactions energy: -188.477
where: short stacking energy: -80.107
Base-Backbone interact. energy: -1.246
local terms energy: -91.981412
where:
bonds (distance) C4'-P energy: -17.893
bonds (distance) P-C4' energy: -17.867
flat angles C4'-P-C4' energy: -18.199
flat angles P-C4'-P energy: -13.857
tors. eta vs tors. theta energy: -24.165
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: 369
Temperature: 1.100000
Total energy: -266.245616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.245616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.245616 (E_RNA)
where:
Base-Base interactions energy: -178.872
where: short stacking energy: -78.533
Base-Backbone interact. energy: -0.860
local terms energy: -86.514435
where:
bonds (distance) C4'-P energy: -12.222
bonds (distance) P-C4' energy: -20.601
flat angles C4'-P-C4' energy: -20.239
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -22.102
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: 8
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -266.734539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.734539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.734539 (E_RNA)
where:
Base-Base interactions energy: -183.522
where: short stacking energy: -73.994
Base-Backbone interact. energy: -0.798
local terms energy: -82.414845
where:
bonds (distance) C4'-P energy: -15.666
bonds (distance) P-C4' energy: -18.590
flat angles C4'-P-C4' energy: -17.319
flat angles P-C4'-P energy: -7.866
tors. eta vs tors. theta energy: -22.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -247.356363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.356363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.356363 (E_RNA)
where:
Base-Base interactions energy: -176.816
where: short stacking energy: -62.719
Base-Backbone interact. energy: 1.747
local terms energy: -72.286579
where:
bonds (distance) C4'-P energy: -14.158
bonds (distance) P-C4' energy: -15.533
flat angles C4'-P-C4' energy: -16.163
flat angles P-C4'-P energy: -9.783
tors. eta vs tors. theta energy: -16.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -132.213999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.213999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.213999 (E_RNA)
where:
Base-Base interactions energy: -84.893
where: short stacking energy: -41.952
Base-Backbone interact. energy: -0.177
local terms energy: -47.143297
where:
bonds (distance) C4'-P energy: -15.669
bonds (distance) P-C4' energy: -12.477
flat angles C4'-P-C4' energy: -15.275
flat angles P-C4'-P energy: 3.127
tors. eta vs tors. theta energy: -6.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -102.685961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.685961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.685961 (E_RNA)
where:
Base-Base interactions energy: -30.609
where: short stacking energy: -29.817
Base-Backbone interact. energy: -1.927
local terms energy: -70.150742
where:
bonds (distance) C4'-P energy: -15.014
bonds (distance) P-C4' energy: -20.937
flat angles C4'-P-C4' energy: -17.094
flat angles P-C4'-P energy: -8.844
tors. eta vs tors. theta energy: -8.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -98.118329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.118329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.118329 (E_RNA)
where:
Base-Base interactions energy: -35.080
where: short stacking energy: -35.080
Base-Backbone interact. energy: -0.869
local terms energy: -62.168743
where:
bonds (distance) C4'-P energy: -11.582
bonds (distance) P-C4' energy: -20.483
flat angles C4'-P-C4' energy: -15.494
flat angles P-C4'-P energy: -11.096
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: 5
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -290.510638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.510638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.510638 (E_RNA)
where:
Base-Base interactions energy: -197.603
where: short stacking energy: -80.690
Base-Backbone interact. energy: -0.041
local terms energy: -92.866248
where:
bonds (distance) C4'-P energy: -17.959
bonds (distance) P-C4' energy: -18.171
flat angles C4'-P-C4' energy: -19.760
flat angles P-C4'-P energy: -12.218
tors. eta vs tors. theta energy: -24.759
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: 3
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -287.214181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.214181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.214181 (E_RNA)
where:
Base-Base interactions energy: -196.303
where: short stacking energy: -80.893
Base-Backbone interact. energy: -0.003
local terms energy: -90.908766
where:
bonds (distance) C4'-P energy: -13.153
bonds (distance) P-C4' energy: -19.318
flat angles C4'-P-C4' energy: -21.082
flat angles P-C4'-P energy: -11.714
tors. eta vs tors. theta energy: -25.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -280.177980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.177980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.177980 (E_RNA)
where:
Base-Base interactions energy: -188.252
where: short stacking energy: -75.631
Base-Backbone interact. energy: -0.036
local terms energy: -91.889896
where:
bonds (distance) C4'-P energy: -16.952
bonds (distance) P-C4' energy: -18.002
flat angles C4'-P-C4' energy: -15.491
flat angles P-C4'-P energy: -16.571
tors. eta vs tors. theta energy: -24.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -282.296663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.296663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.296663 (E_RNA)
where:
Base-Base interactions energy: -194.584
where: short stacking energy: -83.983
Base-Backbone interact. energy: -0.135
local terms energy: -87.577674
where:
bonds (distance) C4'-P energy: -17.319
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -18.136
flat angles P-C4'-P energy: -13.484
tors. eta vs tors. theta energy: -24.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -270.907742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.907742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.907742 (E_RNA)
where:
Base-Base interactions energy: -175.826
where: short stacking energy: -74.246
Base-Backbone interact. energy: -1.291
local terms energy: -93.790822
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -19.480
flat angles C4'-P-C4' energy: -17.987
flat angles P-C4'-P energy: -13.036
tors. eta vs tors. theta energy: -28.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -264.054312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.054312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.054312 (E_RNA)
where:
Base-Base interactions energy: -178.037
where: short stacking energy: -64.677
Base-Backbone interact. energy: -0.715
local terms energy: -85.302460
where:
bonds (distance) C4'-P energy: -15.247
bonds (distance) P-C4' energy: -19.017
flat angles C4'-P-C4' energy: -16.870
flat angles P-C4'-P energy: -13.808
tors. eta vs tors. theta energy: -20.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -243.646740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.646740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.646740 (E_RNA)
where:
Base-Base interactions energy: -162.639
where: short stacking energy: -64.969
Base-Backbone interact. energy: 0.790
local terms energy: -81.798385
where:
bonds (distance) C4'-P energy: -11.724
bonds (distance) P-C4' energy: -18.844
flat angles C4'-P-C4' energy: -19.048
flat angles P-C4'-P energy: -13.628
tors. eta vs tors. theta energy: -18.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -121.441494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.441494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.441494 (E_RNA)
where:
Base-Base interactions energy: -49.633
where: short stacking energy: -33.434
Base-Backbone interact. energy: -0.236
local terms energy: -71.572008
where:
bonds (distance) C4'-P energy: -13.102
bonds (distance) P-C4' energy: -19.570
flat angles C4'-P-C4' energy: -18.142
flat angles P-C4'-P energy: -13.934
tors. eta vs tors. theta energy: -6.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -93.658985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.658985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.658985 (E_RNA)
where:
Base-Base interactions energy: -48.630
where: short stacking energy: -23.400
Base-Backbone interact. energy: 0.008
local terms energy: -45.037526
where:
bonds (distance) C4'-P energy: -14.501
bonds (distance) P-C4' energy: -11.965
flat angles C4'-P-C4' energy: -15.252
flat angles P-C4'-P energy: -3.234
tors. eta vs tors. theta energy: -0.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -89.231736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.231736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.231736 (E_RNA)
where:
Base-Base interactions energy: -36.551
where: short stacking energy: -36.551
Base-Backbone interact. energy: -0.343
local terms energy: -52.336855
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -10.565
flat angles C4'-P-C4' energy: -13.204
flat angles P-C4'-P energy: -8.517
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: 1, replica: 5
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -291.687916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.687916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.687916 (E_RNA)
where:
Base-Base interactions energy: -197.930
where: short stacking energy: -85.729
Base-Backbone interact. energy: -0.026
local terms energy: -93.732047
where:
bonds (distance) C4'-P energy: -12.796
bonds (distance) P-C4' energy: -16.860
flat angles C4'-P-C4' energy: -22.542
flat angles P-C4'-P energy: -13.473
tors. eta vs tors. theta energy: -28.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -289.637089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.637089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.637089 (E_RNA)
where:
Base-Base interactions energy: -191.771
where: short stacking energy: -86.840
Base-Backbone interact. energy: -0.352
local terms energy: -97.514435
where:
bonds (distance) C4'-P energy: -16.788
bonds (distance) P-C4' energy: -18.551
flat angles C4'-P-C4' energy: -21.447
flat angles P-C4'-P energy: -14.262
tors. eta vs tors. theta energy: -26.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -285.768172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.768172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.768172 (E_RNA)
where:
Base-Base interactions energy: -183.076
where: short stacking energy: -85.776
Base-Backbone interact. energy: -0.028
local terms energy: -102.664747
where:
bonds (distance) C4'-P energy: -21.237
bonds (distance) P-C4' energy: -20.690
flat angles C4'-P-C4' energy: -19.897
flat angles P-C4'-P energy: -11.877
tors. eta vs tors. theta energy: -28.964
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: 4, replica: 8
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -277.534293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.534293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.534293 (E_RNA)
where:
Base-Base interactions energy: -185.059
where: short stacking energy: -78.211
Base-Backbone interact. energy: -0.448
local terms energy: -92.027779
where:
bonds (distance) C4'-P energy: -18.618
bonds (distance) P-C4' energy: -18.411
flat angles C4'-P-C4' energy: -18.055
flat angles P-C4'-P energy: -11.405
tors. eta vs tors. theta energy: -25.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 371
Temperature: 1.100000
Total energy: -271.453740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.453740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.453740 (E_RNA)
where:
Base-Base interactions energy: -189.803
where: short stacking energy: -72.728
Base-Backbone interact. energy: 1.026
local terms energy: -82.676406
where:
bonds (distance) C4'-P energy: -18.186
bonds (distance) P-C4' energy: -17.279
flat angles C4'-P-C4' energy: -16.538
flat angles P-C4'-P energy: -11.065
tors. eta vs tors. theta energy: -19.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -275.338919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.338919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.338919 (E_RNA)
where:
Base-Base interactions energy: -184.424
where: short stacking energy: -78.186
Base-Backbone interact. energy: 2.265
local terms energy: -93.180142
where:
bonds (distance) C4'-P energy: -17.039
bonds (distance) P-C4' energy: -15.649
flat angles C4'-P-C4' energy: -16.912
flat angles P-C4'-P energy: -16.148
tors. eta vs tors. theta energy: -27.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -251.775430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.775430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.775430 (E_RNA)
where:
Base-Base interactions energy: -170.295
where: short stacking energy: -69.989
Base-Backbone interact. energy: -0.214
local terms energy: -81.266633
where:
bonds (distance) C4'-P energy: -16.621
bonds (distance) P-C4' energy: -11.248
flat angles C4'-P-C4' energy: -19.322
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -22.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -102.628250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.628250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.628250 (E_RNA)
where:
Base-Base interactions energy: -51.275
where: short stacking energy: -32.301
Base-Backbone interact. energy: -0.136
local terms energy: -51.216490
where:
bonds (distance) C4'-P energy: -13.984
bonds (distance) P-C4' energy: -11.950
flat angles C4'-P-C4' energy: -14.232
flat angles P-C4'-P energy: -9.831
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: 9, replica: 6
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -96.464807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.464807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.464807 (E_RNA)
where:
Base-Base interactions energy: -37.696
where: short stacking energy: -25.300
Base-Backbone interact. energy: -0.086
local terms energy: -58.682261
where:
bonds (distance) C4'-P energy: -17.672
bonds (distance) P-C4' energy: -19.829
flat angles C4'-P-C4' energy: -13.888
flat angles P-C4'-P energy: -2.787
tors. eta vs tors. theta energy: -4.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -87.294069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.294069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.294069 (E_RNA)
where:
Base-Base interactions energy: -28.883
where: short stacking energy: -28.883
Base-Backbone interact. energy: -0.464
local terms energy: -57.947626
where:
bonds (distance) C4'-P energy: -19.669
bonds (distance) P-C4' energy: -10.656
flat angles C4'-P-C4' energy: -20.581
flat angles P-C4'-P energy: -8.549
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: 1, replica: 1
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -287.172191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.172191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.172191 (E_RNA)
where:
Base-Base interactions energy: -195.744
where: short stacking energy: -72.706
Base-Backbone interact. energy: -0.158
local terms energy: -91.269670
where:
bonds (distance) C4'-P energy: -19.163
bonds (distance) P-C4' energy: -19.308
flat angles C4'-P-C4' energy: -22.452
flat angles P-C4'-P energy: -12.582
tors. eta vs tors. theta energy: -17.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -290.018129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.018129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.018129 (E_RNA)
where:
Base-Base interactions energy: -198.630
where: short stacking energy: -80.121
Base-Backbone interact. energy: -1.155
local terms energy: -90.232823
where:
bonds (distance) C4'-P energy: -17.972
bonds (distance) P-C4' energy: -15.468
flat angles C4'-P-C4' energy: -18.112
flat angles P-C4'-P energy: -12.496
tors. eta vs tors. theta energy: -26.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -268.943817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.943817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.943817 (E_RNA)
where:
Base-Base interactions energy: -176.744
where: short stacking energy: -72.583
Base-Backbone interact. energy: -0.017
local terms energy: -92.182529
where:
bonds (distance) C4'-P energy: -16.112
bonds (distance) P-C4' energy: -17.789
flat angles C4'-P-C4' energy: -19.863
flat angles P-C4'-P energy: -15.242
tors. eta vs tors. theta energy: -23.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -285.153201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.153201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.153201 (E_RNA)
where:
Base-Base interactions energy: -193.038
where: short stacking energy: -75.913
Base-Backbone interact. energy: -0.179
local terms energy: -91.936331
where:
bonds (distance) C4'-P energy: -17.971
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -18.957
flat angles P-C4'-P energy: -14.413
tors. eta vs tors. theta energy: -23.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -275.162050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.162050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.162050 (E_RNA)
where:
Base-Base interactions energy: -182.341
where: short stacking energy: -71.705
Base-Backbone interact. energy: -1.225
local terms energy: -91.596509
where:
bonds (distance) C4'-P energy: -17.214
bonds (distance) P-C4' energy: -19.432
flat angles C4'-P-C4' energy: -16.595
flat angles P-C4'-P energy: -14.678
tors. eta vs tors. theta energy: -23.678
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: 6, replica: 2
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -271.136233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.136233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.136233 (E_RNA)
where:
Base-Base interactions energy: -181.497
where: short stacking energy: -62.572
Base-Backbone interact. energy: -0.107
local terms energy: -89.532094
where:
bonds (distance) C4'-P energy: -21.035
bonds (distance) P-C4' energy: -21.690
flat angles C4'-P-C4' energy: -15.876
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: -22.810
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: 4
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -217.825675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.825675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.825675 (E_RNA)
where:
Base-Base interactions energy: -138.905
where: short stacking energy: -54.518
Base-Backbone interact. energy: 1.342
local terms energy: -80.262625
where:
bonds (distance) C4'-P energy: -16.532
bonds (distance) P-C4' energy: -21.211
flat angles C4'-P-C4' energy: -17.211
flat angles P-C4'-P energy: -7.491
tors. eta vs tors. theta energy: -17.817
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: 8, replica: 10
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -104.049632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.049632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.049632 (E_RNA)
where:
Base-Base interactions energy: -36.656
where: short stacking energy: -35.474
Base-Backbone interact. energy: -0.408
local terms energy: -66.985753
where:
bonds (distance) C4'-P energy: -16.075
bonds (distance) P-C4' energy: -20.940
flat angles C4'-P-C4' energy: -13.681
flat angles P-C4'-P energy: -11.674
tors. eta vs tors. theta energy: -4.616
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: 7
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -93.277304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.277304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.277304 (E_RNA)
where:
Base-Base interactions energy: -35.767
where: short stacking energy: -30.471
Base-Backbone interact. energy: -0.347
local terms energy: -57.163981
where:
bonds (distance) C4'-P energy: -17.844
bonds (distance) P-C4' energy: -11.547
flat angles C4'-P-C4' energy: -11.585
flat angles P-C4'-P energy: -15.004
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: 6
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -82.731772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.731772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.731772 (E_RNA)
where:
Base-Base interactions energy: -23.704
where: short stacking energy: -23.704
Base-Backbone interact. energy: -0.477
local terms energy: -58.551259
where:
bonds (distance) C4'-P energy: -15.977
bonds (distance) P-C4' energy: -20.190
flat angles C4'-P-C4' energy: -12.266
flat angles P-C4'-P energy: -12.839
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: 1, replica: 1
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -284.602139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.602139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.602139 (E_RNA)
where:
Base-Base interactions energy: -184.058
where: short stacking energy: -75.514
Base-Backbone interact. energy: -0.145
local terms energy: -100.399370
where:
bonds (distance) C4'-P energy: -19.398
bonds (distance) P-C4' energy: -19.385
flat angles C4'-P-C4' energy: -20.437
flat angles P-C4'-P energy: -16.330
tors. eta vs tors. theta energy: -24.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -278.666627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.666627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.666627 (E_RNA)
where:
Base-Base interactions energy: -185.162
where: short stacking energy: -86.009
Base-Backbone interact. energy: -2.406
local terms energy: -91.098963
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -20.900
flat angles C4'-P-C4' energy: -19.993
flat angles P-C4'-P energy: -10.951
tors. eta vs tors. theta energy: -24.729
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: 5
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -285.982469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.982469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.982469 (E_RNA)
where:
Base-Base interactions energy: -185.533
where: short stacking energy: -79.654
Base-Backbone interact. energy: -0.246
local terms energy: -100.203641
where:
bonds (distance) C4'-P energy: -21.222
bonds (distance) P-C4' energy: -18.768
flat angles C4'-P-C4' energy: -20.613
flat angles P-C4'-P energy: -14.110
tors. eta vs tors. theta energy: -25.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -277.094535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.094535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.094535 (E_RNA)
where:
Base-Base interactions energy: -190.345
where: short stacking energy: -79.692
Base-Backbone interact. energy: -0.921
local terms energy: -85.828542
where:
bonds (distance) C4'-P energy: -17.347
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -17.725
flat angles P-C4'-P energy: -10.208
tors. eta vs tors. theta energy: -23.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -276.585102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.585102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.585102 (E_RNA)
where:
Base-Base interactions energy: -187.773
where: short stacking energy: -77.090
Base-Backbone interact. energy: -0.046
local terms energy: -88.766023
where:
bonds (distance) C4'-P energy: -13.667
bonds (distance) P-C4' energy: -20.691
flat angles C4'-P-C4' energy: -19.915
flat angles P-C4'-P energy: -12.857
tors. eta vs tors. theta energy: -21.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -267.771132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.771132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.771132 (E_RNA)
where:
Base-Base interactions energy: -179.840
where: short stacking energy: -69.654
Base-Backbone interact. energy: -0.018
local terms energy: -87.913198
where:
bonds (distance) C4'-P energy: -20.103
bonds (distance) P-C4' energy: -18.283
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -11.871
tors. eta vs tors. theta energy: -21.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -225.564741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.564741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.564741 (E_RNA)
where:
Base-Base interactions energy: -142.595
where: short stacking energy: -63.329
Base-Backbone interact. energy: -1.794
local terms energy: -81.175153
where:
bonds (distance) C4'-P energy: -17.867
bonds (distance) P-C4' energy: -15.207
flat angles C4'-P-C4' energy: -19.933
flat angles P-C4'-P energy: -11.025
tors. eta vs tors. theta energy: -17.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -101.847164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.847164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.847164 (E_RNA)
where:
Base-Base interactions energy: -47.866
where: short stacking energy: -31.648
Base-Backbone interact. energy: 3.487
local terms energy: -57.468121
where:
bonds (distance) C4'-P energy: -15.707
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -13.402
flat angles P-C4'-P energy: -8.142
tors. eta vs tors. theta energy: -5.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -97.293393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.293393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.293393 (E_RNA)
where:
Base-Base interactions energy: -36.349
where: short stacking energy: -27.862
Base-Backbone interact. energy: -0.494
local terms energy: -60.451131
where:
bonds (distance) C4'-P energy: -16.807
bonds (distance) P-C4' energy: -12.450
flat angles C4'-P-C4' energy: -17.597
flat angles P-C4'-P energy: -12.380
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: 10, replica: 6
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -85.944991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.944991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.944991 (E_RNA)
where:
Base-Base interactions energy: -25.946
where: short stacking energy: -25.828
Base-Backbone interact. energy: -0.095
local terms energy: -59.903560
where:
bonds (distance) C4'-P energy: -20.203
bonds (distance) P-C4' energy: -15.146
flat angles C4'-P-C4' energy: -16.806
flat angles P-C4'-P energy: -10.605
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: 1, replica: 1
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -289.377121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.377121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.377121 (E_RNA)
where:
Base-Base interactions energy: -191.730
where: short stacking energy: -74.075
Base-Backbone interact. energy: -0.180
local terms energy: -97.467261
where:
bonds (distance) C4'-P energy: -16.886
bonds (distance) P-C4' energy: -21.958
flat angles C4'-P-C4' energy: -21.713
flat angles P-C4'-P energy: -12.112
tors. eta vs tors. theta energy: -24.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -289.936226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.936226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.936226 (E_RNA)
where:
Base-Base interactions energy: -191.596
where: short stacking energy: -81.022
Base-Backbone interact. energy: -0.024
local terms energy: -98.315941
where:
bonds (distance) C4'-P energy: -18.022
bonds (distance) P-C4' energy: -21.169
flat angles C4'-P-C4' energy: -19.270
flat angles P-C4'-P energy: -12.322
tors. eta vs tors. theta energy: -27.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -276.418174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.418174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.418174 (E_RNA)
where:
Base-Base interactions energy: -177.754
where: short stacking energy: -80.822
Base-Backbone interact. energy: -0.095
local terms energy: -98.569228
where:
bonds (distance) C4'-P energy: -17.425
bonds (distance) P-C4' energy: -20.383
flat angles C4'-P-C4' energy: -22.152
flat angles P-C4'-P energy: -14.186
tors. eta vs tors. theta energy: -24.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -273.734952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.734952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.734952 (E_RNA)
where:
Base-Base interactions energy: -185.227
where: short stacking energy: -78.474
Base-Backbone interact. energy: -0.017
local terms energy: -88.490851
where:
bonds (distance) C4'-P energy: -12.783
bonds (distance) P-C4' energy: -19.049
flat angles C4'-P-C4' energy: -18.046
flat angles P-C4'-P energy: -11.982
tors. eta vs tors. theta energy: -26.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -273.201071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.201071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.201071 (E_RNA)
where:
Base-Base interactions energy: -193.442
where: short stacking energy: -77.644
Base-Backbone interact. energy: -0.232
local terms energy: -79.526886
where:
bonds (distance) C4'-P energy: -14.240
bonds (distance) P-C4' energy: -14.517
flat angles C4'-P-C4' energy: -19.332
flat angles P-C4'-P energy: -12.520
tors. eta vs tors. theta energy: -18.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -272.072423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.072423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.072423 (E_RNA)
where:
Base-Base interactions energy: -185.514
where: short stacking energy: -72.798
Base-Backbone interact. energy: -0.084
local terms energy: -86.473994
where:
bonds (distance) C4'-P energy: -13.192
bonds (distance) P-C4' energy: -20.569
flat angles C4'-P-C4' energy: -21.716
flat angles P-C4'-P energy: -12.302
tors. eta vs tors. theta energy: -18.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -167.639225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.639225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.639225 (E_RNA)
where:
Base-Base interactions energy: -106.772
where: short stacking energy: -39.627
Base-Backbone interact. energy: 0.530
local terms energy: -61.396955
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -12.001
flat angles P-C4'-P energy: -10.564
tors. eta vs tors. theta energy: -7.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -116.191199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.191199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.191199 (E_RNA)
where:
Base-Base interactions energy: -47.387
where: short stacking energy: -46.698
Base-Backbone interact. energy: -0.127
local terms energy: -68.677383
where:
bonds (distance) C4'-P energy: -19.702
bonds (distance) P-C4' energy: -17.099
flat angles C4'-P-C4' energy: -14.819
flat angles P-C4'-P energy: -13.580
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: 9, replica: 6
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -113.090970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.090970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.090970 (E_RNA)
where:
Base-Base interactions energy: -48.866
where: short stacking energy: -44.693
Base-Backbone interact. energy: -0.133
local terms energy: -64.092702
where:
bonds (distance) C4'-P energy: -13.583
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -15.819
flat angles P-C4'-P energy: -8.696
tors. eta vs tors. theta energy: -8.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -100.462069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.462069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.462069 (E_RNA)
where:
Base-Base interactions energy: -46.530
where: short stacking energy: -19.467
Base-Backbone interact. energy: 0.870
local terms energy: -54.801719
where:
bonds (distance) C4'-P energy: -14.491
bonds (distance) P-C4' energy: -14.610
flat angles C4'-P-C4' energy: -16.295
flat angles P-C4'-P energy: -10.992
tors. eta vs tors. theta energy: 1.586
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: 1, replica: 1
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -288.120292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.120292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.120292 (E_RNA)
where:
Base-Base interactions energy: -193.441
where: short stacking energy: -70.630
Base-Backbone interact. energy: -0.310
local terms energy: -94.369014
where:
bonds (distance) C4'-P energy: -21.999
bonds (distance) P-C4' energy: -19.921
flat angles C4'-P-C4' energy: -19.330
flat angles P-C4'-P energy: -15.985
tors. eta vs tors. theta energy: -17.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -290.665046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.665046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.665046 (E_RNA)
where:
Base-Base interactions energy: -195.066
where: short stacking energy: -86.256
Base-Backbone interact. energy: -0.000
local terms energy: -95.598633
where:
bonds (distance) C4'-P energy: -16.889
bonds (distance) P-C4' energy: -17.493
flat angles C4'-P-C4' energy: -20.523
flat angles P-C4'-P energy: -15.312
tors. eta vs tors. theta energy: -25.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -280.669781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.669781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.669781 (E_RNA)
where:
Base-Base interactions energy: -196.000
where: short stacking energy: -75.461
Base-Backbone interact. energy: -0.386
local terms energy: -84.284396
where:
bonds (distance) C4'-P energy: -14.870
bonds (distance) P-C4' energy: -20.180
flat angles C4'-P-C4' energy: -15.922
flat angles P-C4'-P energy: -7.406
tors. eta vs tors. theta energy: -25.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -275.117762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.117762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.117762 (E_RNA)
where:
Base-Base interactions energy: -187.841
where: short stacking energy: -79.003
Base-Backbone interact. energy: -0.127
local terms energy: -87.149957
where:
bonds (distance) C4'-P energy: -15.788
bonds (distance) P-C4' energy: -15.540
flat angles C4'-P-C4' energy: -21.880
flat angles P-C4'-P energy: -12.724
tors. eta vs tors. theta energy: -21.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -275.714564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.714564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.714564 (E_RNA)
where:
Base-Base interactions energy: -191.613
where: short stacking energy: -76.633
Base-Backbone interact. energy: -0.014
local terms energy: -84.087638
where:
bonds (distance) C4'-P energy: -17.372
bonds (distance) P-C4' energy: -16.941
flat angles C4'-P-C4' energy: -14.540
flat angles P-C4'-P energy: -10.787
tors. eta vs tors. theta energy: -24.447
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: 375
Temperature: 1.150000
Total energy: -272.334528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.334528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.334528 (E_RNA)
where:
Base-Base interactions energy: -190.403
where: short stacking energy: -79.071
Base-Backbone interact. energy: -0.503
local terms energy: -81.428117
where:
bonds (distance) C4'-P energy: -16.149
bonds (distance) P-C4' energy: -12.267
flat angles C4'-P-C4' energy: -20.878
flat angles P-C4'-P energy: -7.210
tors. eta vs tors. theta energy: -24.924
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: 4
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -180.956375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.956375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.956375 (E_RNA)
where:
Base-Base interactions energy: -115.400
where: short stacking energy: -51.409
Base-Backbone interact. energy: -0.094
local terms energy: -65.462941
where:
bonds (distance) C4'-P energy: -13.312
bonds (distance) P-C4' energy: -15.959
flat angles C4'-P-C4' energy: -17.017
flat angles P-C4'-P energy: -12.787
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: 8, replica: 7
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -151.303876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.303876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.303876 (E_RNA)
where:
Base-Base interactions energy: -79.255
where: short stacking energy: -47.133
Base-Backbone interact. energy: 0.669
local terms energy: -72.718113
where:
bonds (distance) C4'-P energy: -18.930
bonds (distance) P-C4' energy: -15.193
flat angles C4'-P-C4' energy: -17.380
flat angles P-C4'-P energy: -10.598
tors. eta vs tors. theta energy: -10.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -95.757425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.757425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.757425 (E_RNA)
where:
Base-Base interactions energy: -30.473
where: short stacking energy: -25.520
Base-Backbone interact. energy: 0.813
local terms energy: -66.097431
where:
bonds (distance) C4'-P energy: -15.825
bonds (distance) P-C4' energy: -19.746
flat angles C4'-P-C4' energy: -16.265
flat angles P-C4'-P energy: -12.463
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: 10, replica: 10
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -83.640558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.640558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.640558 (E_RNA)
where:
Base-Base interactions energy: -32.430
where: short stacking energy: -29.813
Base-Backbone interact. energy: -0.165
local terms energy: -51.044963
where:
bonds (distance) C4'-P energy: -11.017
bonds (distance) P-C4' energy: -19.350
flat angles C4'-P-C4' energy: -11.222
flat angles P-C4'-P energy: -6.200
tors. eta vs tors. theta energy: -3.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -281.695849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.695849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.695849 (E_RNA)
where:
Base-Base interactions energy: -191.532
where: short stacking energy: -72.272
Base-Backbone interact. energy: -0.149
local terms energy: -90.015040
where:
bonds (distance) C4'-P energy: -16.205
bonds (distance) P-C4' energy: -20.675
flat angles C4'-P-C4' energy: -18.688
flat angles P-C4'-P energy: -13.045
tors. eta vs tors. theta energy: -21.402
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -284.220005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.220005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.220005 (E_RNA)
where:
Base-Base interactions energy: -195.312
where: short stacking energy: -74.601
Base-Backbone interact. energy: -0.070
local terms energy: -88.837717
where:
bonds (distance) C4'-P energy: -17.044
bonds (distance) P-C4' energy: -18.801
flat angles C4'-P-C4' energy: -18.357
flat angles P-C4'-P energy: -14.641
tors. eta vs tors. theta energy: -19.994
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: 9
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -285.886571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.886571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.886571 (E_RNA)
where:
Base-Base interactions energy: -196.675
where: short stacking energy: -77.785
Base-Backbone interact. energy: -0.797
local terms energy: -88.414294
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -14.749
flat angles C4'-P-C4' energy: -18.457
flat angles P-C4'-P energy: -14.445
tors. eta vs tors. theta energy: -25.363
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: 5
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -278.717216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.717216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.717216 (E_RNA)
where:
Base-Base interactions energy: -190.671
where: short stacking energy: -71.603
Base-Backbone interact. energy: -0.042
local terms energy: -88.004249
where:
bonds (distance) C4'-P energy: -12.908
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -18.345
flat angles P-C4'-P energy: -15.533
tors. eta vs tors. theta energy: -25.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -272.710986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.710986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.710986 (E_RNA)
where:
Base-Base interactions energy: -182.518
where: short stacking energy: -77.973
Base-Backbone interact. energy: -0.007
local terms energy: -90.186179
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -19.721
flat angles C4'-P-C4' energy: -21.071
flat angles P-C4'-P energy: -9.456
tors. eta vs tors. theta energy: -25.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -264.152466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.152466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.152466 (E_RNA)
where:
Base-Base interactions energy: -183.335
where: short stacking energy: -66.181
Base-Backbone interact. energy: -0.992
local terms energy: -79.824709
where:
bonds (distance) C4'-P energy: -14.473
bonds (distance) P-C4' energy: -17.170
flat angles C4'-P-C4' energy: -19.256
flat angles P-C4'-P energy: -11.402
tors. eta vs tors. theta energy: -17.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -252.307574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.307574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.307574 (E_RNA)
where:
Base-Base interactions energy: -171.689
where: short stacking energy: -64.266
Base-Backbone interact. energy: -0.475
local terms energy: -80.143337
where:
bonds (distance) C4'-P energy: -15.492
bonds (distance) P-C4' energy: -12.453
flat angles C4'-P-C4' energy: -17.823
flat angles P-C4'-P energy: -14.237
tors. eta vs tors. theta energy: -20.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -138.531393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.531393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.531393 (E_RNA)
where:
Base-Base interactions energy: -75.127
where: short stacking energy: -38.195
Base-Backbone interact. energy: -0.475
local terms energy: -62.929706
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -17.111
flat angles C4'-P-C4' energy: -14.800
flat angles P-C4'-P energy: -7.261
tors. eta vs tors. theta energy: -8.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -86.570556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.570556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.570556 (E_RNA)
where:
Base-Base interactions energy: -30.079
where: short stacking energy: -23.077
Base-Backbone interact. energy: -0.536
local terms energy: -55.955607
where:
bonds (distance) C4'-P energy: -11.686
bonds (distance) P-C4' energy: -17.515
flat angles C4'-P-C4' energy: -17.861
flat angles P-C4'-P energy: -8.148
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: 10, replica: 10
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -91.880463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.880463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.880463 (E_RNA)
where:
Base-Base interactions energy: -34.826
where: short stacking energy: -23.765
Base-Backbone interact. energy: -0.814
local terms energy: -56.240146
where:
bonds (distance) C4'-P energy: -19.164
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -16.416
flat angles P-C4'-P energy: -4.628
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: 1, replica: 1
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -276.957020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.957020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.957020 (E_RNA)
where:
Base-Base interactions energy: -184.810
where: short stacking energy: -78.920
Base-Backbone interact. energy: -0.148
local terms energy: -91.998401
where:
bonds (distance) C4'-P energy: -16.244
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -20.323
flat angles P-C4'-P energy: -16.286
tors. eta vs tors. theta energy: -22.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -291.402073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.402073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.402073 (E_RNA)
where:
Base-Base interactions energy: -198.584
where: short stacking energy: -81.006
Base-Backbone interact. energy: -0.772
local terms energy: -92.046202
where:
bonds (distance) C4'-P energy: -15.664
bonds (distance) P-C4' energy: -18.490
flat angles C4'-P-C4' energy: -19.876
flat angles P-C4'-P energy: -13.312
tors. eta vs tors. theta energy: -24.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -280.673808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.673808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.673808 (E_RNA)
where:
Base-Base interactions energy: -192.522
where: short stacking energy: -77.226
Base-Backbone interact. energy: -0.710
local terms energy: -87.441587
where:
bonds (distance) C4'-P energy: -16.374
bonds (distance) P-C4' energy: -18.216
flat angles C4'-P-C4' energy: -20.249
flat angles P-C4'-P energy: -11.020
tors. eta vs tors. theta energy: -21.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -282.395377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.395377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.395377 (E_RNA)
where:
Base-Base interactions energy: -190.613
where: short stacking energy: -81.637
Base-Backbone interact. energy: -0.196
local terms energy: -91.585844
where:
bonds (distance) C4'-P energy: -16.781
bonds (distance) P-C4' energy: -16.303
flat angles C4'-P-C4' energy: -18.768
flat angles P-C4'-P energy: -11.850
tors. eta vs tors. theta energy: -27.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -279.387782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.387782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.387782 (E_RNA)
where:
Base-Base interactions energy: -183.876
where: short stacking energy: -76.664
Base-Backbone interact. energy: 0.003
local terms energy: -95.514423
where:
bonds (distance) C4'-P energy: -20.522
bonds (distance) P-C4' energy: -21.289
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -13.140
tors. eta vs tors. theta energy: -23.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -270.424129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.424129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.424129 (E_RNA)
where:
Base-Base interactions energy: -182.461
where: short stacking energy: -73.858
Base-Backbone interact. energy: -0.023
local terms energy: -87.940962
where:
bonds (distance) C4'-P energy: -18.344
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -15.816
flat angles P-C4'-P energy: -12.793
tors. eta vs tors. theta energy: -25.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -254.671496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.671496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.671496 (E_RNA)
where:
Base-Base interactions energy: -159.618
where: short stacking energy: -70.609
Base-Backbone interact. energy: -0.511
local terms energy: -94.542473
where:
bonds (distance) C4'-P energy: -14.465
bonds (distance) P-C4' energy: -21.619
flat angles C4'-P-C4' energy: -20.209
flat angles P-C4'-P energy: -15.948
tors. eta vs tors. theta energy: -22.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -102.672868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.672868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.672868 (E_RNA)
where:
Base-Base interactions energy: -33.183
where: short stacking energy: -33.183
Base-Backbone interact. energy: -0.124
local terms energy: -69.366049
where:
bonds (distance) C4'-P energy: -16.240
bonds (distance) P-C4' energy: -19.061
flat angles C4'-P-C4' energy: -19.210
flat angles P-C4'-P energy: -11.078
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: 9, replica: 7
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -104.811825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.811825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.811825 (E_RNA)
where:
Base-Base interactions energy: -52.115
where: short stacking energy: -33.681
Base-Backbone interact. energy: -0.191
local terms energy: -52.505854
where:
bonds (distance) C4'-P energy: -15.802
bonds (distance) P-C4' energy: -18.588
flat angles C4'-P-C4' energy: -17.630
flat angles P-C4'-P energy: 0.001
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: 10
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -79.551081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.551081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.551081 (E_RNA)
where:
Base-Base interactions energy: -20.986
where: short stacking energy: -20.986
Base-Backbone interact. energy: -0.184
local terms energy: -58.381431
where:
bonds (distance) C4'-P energy: -17.363
bonds (distance) P-C4' energy: -19.528
flat angles C4'-P-C4' energy: -10.616
flat angles P-C4'-P energy: -8.020
tors. eta vs tors. theta energy: -2.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -302.727745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.727745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.727745 (E_RNA)
where:
Base-Base interactions energy: -211.868
where: short stacking energy: -90.656
Base-Backbone interact. energy: -0.016
local terms energy: -90.843727
where:
bonds (distance) C4'-P energy: -16.053
bonds (distance) P-C4' energy: -16.641
flat angles C4'-P-C4' energy: -20.136
flat angles P-C4'-P energy: -9.671
tors. eta vs tors. theta energy: -28.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -277.985356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.985356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.985356 (E_RNA)
where:
Base-Base interactions energy: -186.858
where: short stacking energy: -77.610
Base-Backbone interact. energy: 0.215
local terms energy: -91.342486
where:
bonds (distance) C4'-P energy: -17.812
bonds (distance) P-C4' energy: -19.294
flat angles C4'-P-C4' energy: -19.663
flat angles P-C4'-P energy: -15.794
tors. eta vs tors. theta energy: -18.780
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: 2
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -286.277622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.277622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.277622 (E_RNA)
where:
Base-Base interactions energy: -198.505
where: short stacking energy: -81.347
Base-Backbone interact. energy: -0.422
local terms energy: -87.350942
where:
bonds (distance) C4'-P energy: -11.935
bonds (distance) P-C4' energy: -19.502
flat angles C4'-P-C4' energy: -21.254
flat angles P-C4'-P energy: -12.125
tors. eta vs tors. theta energy: -22.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -276.514184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.514184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.514184 (E_RNA)
where:
Base-Base interactions energy: -190.170
where: short stacking energy: -82.919
Base-Backbone interact. energy: -0.665
local terms energy: -85.678709
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -11.161
flat angles C4'-P-C4' energy: -19.347
flat angles P-C4'-P energy: -13.668
tors. eta vs tors. theta energy: -25.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -280.541633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.541633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.541633 (E_RNA)
where:
Base-Base interactions energy: -191.358
where: short stacking energy: -75.585
Base-Backbone interact. energy: 0.397
local terms energy: -89.580785
where:
bonds (distance) C4'-P energy: -17.308
bonds (distance) P-C4' energy: -20.682
flat angles C4'-P-C4' energy: -17.960
flat angles P-C4'-P energy: -10.099
tors. eta vs tors. theta energy: -23.531
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: 4
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -263.940105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.940105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.940105 (E_RNA)
where:
Base-Base interactions energy: -186.841
where: short stacking energy: -72.255
Base-Backbone interact. energy: -0.375
local terms energy: -76.723958
where:
bonds (distance) C4'-P energy: -9.663
bonds (distance) P-C4' energy: -18.313
flat angles C4'-P-C4' energy: -20.305
flat angles P-C4'-P energy: -8.871
tors. eta vs tors. theta energy: -19.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -255.416687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.416687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.416687 (E_RNA)
where:
Base-Base interactions energy: -169.787
where: short stacking energy: -73.215
Base-Backbone interact. energy: -0.010
local terms energy: -85.619902
where:
bonds (distance) C4'-P energy: -13.645
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -16.815
flat angles P-C4'-P energy: -16.103
tors. eta vs tors. theta energy: -23.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -101.526013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.526013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.526013 (E_RNA)
where:
Base-Base interactions energy: -45.664
where: short stacking energy: -42.614
Base-Backbone interact. energy: -0.108
local terms energy: -55.754207
where:
bonds (distance) C4'-P energy: -8.857
bonds (distance) P-C4' energy: -13.614
flat angles C4'-P-C4' energy: -20.849
flat angles P-C4'-P energy: -9.018
tors. eta vs tors. theta energy: -3.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -87.146534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.146534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.146534 (E_RNA)
where:
Base-Base interactions energy: -30.533
where: short stacking energy: -29.976
Base-Backbone interact. energy: -0.356
local terms energy: -56.257709
where:
bonds (distance) C4'-P energy: -12.765
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -10.227
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: -4.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -88.869740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.869740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.869740 (E_RNA)
where:
Base-Base interactions energy: -19.243
where: short stacking energy: -19.243
Base-Backbone interact. energy: -1.824
local terms energy: -67.802474
where:
bonds (distance) C4'-P energy: -22.103
bonds (distance) P-C4' energy: -16.844
flat angles C4'-P-C4' energy: -13.514
flat angles P-C4'-P energy: -13.280
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: 1, replica: 9
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -295.141014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.141014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.141014 (E_RNA)
where:
Base-Base interactions energy: -199.974
where: short stacking energy: -83.668
Base-Backbone interact. energy: -0.008
local terms energy: -95.158909
where:
bonds (distance) C4'-P energy: -18.787
bonds (distance) P-C4' energy: -19.192
flat angles C4'-P-C4' energy: -17.807
flat angles P-C4'-P energy: -10.322
tors. eta vs tors. theta energy: -29.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 379
Temperature: 0.950000
Total energy: -291.278873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.278873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.278873 (E_RNA)
where:
Base-Base interactions energy: -194.121
where: short stacking energy: -83.308
Base-Backbone interact. energy: 0.890
local terms energy: -98.047650
where:
bonds (distance) C4'-P energy: -17.829
bonds (distance) P-C4' energy: -19.587
flat angles C4'-P-C4' energy: -21.727
flat angles P-C4'-P energy: -12.633
tors. eta vs tors. theta energy: -26.271
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: 1
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -272.669742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.669742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.669742 (E_RNA)
where:
Base-Base interactions energy: -187.720
where: short stacking energy: -78.189
Base-Backbone interact. energy: -0.163
local terms energy: -84.786523
where:
bonds (distance) C4'-P energy: -17.258
bonds (distance) P-C4' energy: -12.419
flat angles C4'-P-C4' energy: -19.807
flat angles P-C4'-P energy: -13.228
tors. eta vs tors. theta energy: -22.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -277.843253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.843253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.843253 (E_RNA)
where:
Base-Base interactions energy: -187.115
where: short stacking energy: -80.123
Base-Backbone interact. energy: -0.366
local terms energy: -90.362529
where:
bonds (distance) C4'-P energy: -14.712
bonds (distance) P-C4' energy: -18.149
flat angles C4'-P-C4' energy: -17.835
flat angles P-C4'-P energy: -13.421
tors. eta vs tors. theta energy: -26.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -261.684478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.684478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.684478 (E_RNA)
where:
Base-Base interactions energy: -172.338
where: short stacking energy: -72.230
Base-Backbone interact. energy: -0.142
local terms energy: -89.204217
where:
bonds (distance) C4'-P energy: -15.625
bonds (distance) P-C4' energy: -19.408
flat angles C4'-P-C4' energy: -15.278
flat angles P-C4'-P energy: -12.837
tors. eta vs tors. theta energy: -26.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -258.818519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.818519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.818519 (E_RNA)
where:
Base-Base interactions energy: -181.269
where: short stacking energy: -76.499
Base-Backbone interact. energy: -0.013
local terms energy: -77.536424
where:
bonds (distance) C4'-P energy: -14.721
bonds (distance) P-C4' energy: -12.409
flat angles C4'-P-C4' energy: -19.632
flat angles P-C4'-P energy: -10.093
tors. eta vs tors. theta energy: -20.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -261.117214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.117214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.117214 (E_RNA)
where:
Base-Base interactions energy: -181.631
where: short stacking energy: -74.444
Base-Backbone interact. energy: -0.125
local terms energy: -79.360693
where:
bonds (distance) C4'-P energy: -17.041
bonds (distance) P-C4' energy: -12.230
flat angles C4'-P-C4' energy: -16.918
flat angles P-C4'-P energy: -12.479
tors. eta vs tors. theta energy: -20.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -114.286362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.286362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.286362 (E_RNA)
where:
Base-Base interactions energy: -61.905
where: short stacking energy: -32.099
Base-Backbone interact. energy: -0.178
local terms energy: -52.203497
where:
bonds (distance) C4'-P energy: -14.676
bonds (distance) P-C4' energy: -17.295
flat angles C4'-P-C4' energy: -7.473
flat angles P-C4'-P energy: -8.757
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: 9, replica: 6
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -95.031848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.031848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.031848 (E_RNA)
where:
Base-Base interactions energy: -32.361
where: short stacking energy: -31.980
Base-Backbone interact. energy: -0.061
local terms energy: -62.609580
where:
bonds (distance) C4'-P energy: -16.307
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -15.287
flat angles P-C4'-P energy: -9.351
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: 10, replica: 7
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -80.231855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.231855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.231855 (E_RNA)
where:
Base-Base interactions energy: -24.744
where: short stacking energy: -20.110
Base-Backbone interact. energy: 0.272
local terms energy: -55.759264
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -12.576
flat angles C4'-P-C4' energy: -14.889
flat angles P-C4'-P energy: -8.903
tors. eta vs tors. theta energy: -3.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -295.718981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.718981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.718981 (E_RNA)
where:
Base-Base interactions energy: -192.617
where: short stacking energy: -75.182
Base-Backbone interact. energy: -0.034
local terms energy: -103.067713
where:
bonds (distance) C4'-P energy: -18.360
bonds (distance) P-C4' energy: -21.697
flat angles C4'-P-C4' energy: -19.672
flat angles P-C4'-P energy: -15.580
tors. eta vs tors. theta energy: -27.759
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: 9
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -283.843190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.843190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.843190 (E_RNA)
where:
Base-Base interactions energy: -192.644
where: short stacking energy: -77.469
Base-Backbone interact. energy: -0.014
local terms energy: -91.185639
where:
bonds (distance) C4'-P energy: -16.757
bonds (distance) P-C4' energy: -17.545
flat angles C4'-P-C4' energy: -18.898
flat angles P-C4'-P energy: -13.538
tors. eta vs tors. theta energy: -24.447
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: 5
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -281.120897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.120897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.120897 (E_RNA)
where:
Base-Base interactions energy: -198.145
where: short stacking energy: -68.795
Base-Backbone interact. energy: 0.056
local terms energy: -83.031825
where:
bonds (distance) C4'-P energy: -17.715
bonds (distance) P-C4' energy: -16.773
flat angles C4'-P-C4' energy: -20.416
flat angles P-C4'-P energy: -11.188
tors. eta vs tors. theta energy: -16.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -277.202888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.202888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.202888 (E_RNA)
where:
Base-Base interactions energy: -190.502
where: short stacking energy: -67.597
Base-Backbone interact. energy: -0.374
local terms energy: -86.327005
where:
bonds (distance) C4'-P energy: -15.293
bonds (distance) P-C4' energy: -20.013
flat angles C4'-P-C4' energy: -17.588
flat angles P-C4'-P energy: -14.956
tors. eta vs tors. theta energy: -18.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -279.926602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.926602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.926602 (E_RNA)
where:
Base-Base interactions energy: -188.286
where: short stacking energy: -78.933
Base-Backbone interact. energy: -0.016
local terms energy: -91.624981
where:
bonds (distance) C4'-P energy: -17.938
bonds (distance) P-C4' energy: -18.862
flat angles C4'-P-C4' energy: -16.405
flat angles P-C4'-P energy: -14.799
tors. eta vs tors. theta energy: -23.621
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: 8
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -259.428031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.428031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.428031 (E_RNA)
where:
Base-Base interactions energy: -174.346
where: short stacking energy: -66.166
Base-Backbone interact. energy: 1.294
local terms energy: -86.376280
where:
bonds (distance) C4'-P energy: -15.946
bonds (distance) P-C4' energy: -19.847
flat angles C4'-P-C4' energy: -15.878
flat angles P-C4'-P energy: -10.940
tors. eta vs tors. theta energy: -23.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -245.560242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.560242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.560242 (E_RNA)
where:
Base-Base interactions energy: -167.595
where: short stacking energy: -73.358
Base-Backbone interact. energy: -0.048
local terms energy: -77.917297
where:
bonds (distance) C4'-P energy: -13.613
bonds (distance) P-C4' energy: -10.481
flat angles C4'-P-C4' energy: -18.891
flat angles P-C4'-P energy: -15.062
tors. eta vs tors. theta energy: -19.869
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: 10
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -115.485715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.485715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.485715 (E_RNA)
where:
Base-Base interactions energy: -60.036
where: short stacking energy: -35.524
Base-Backbone interact. energy: -0.460
local terms energy: -54.990407
where:
bonds (distance) C4'-P energy: -13.393
bonds (distance) P-C4' energy: -15.723
flat angles C4'-P-C4' energy: -10.660
flat angles P-C4'-P energy: -10.319
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: 7
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -101.991641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.991641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.991641 (E_RNA)
where:
Base-Base interactions energy: -41.075
where: short stacking energy: -26.296
Base-Backbone interact. energy: -0.148
local terms energy: -60.768446
where:
bonds (distance) C4'-P energy: -14.047
bonds (distance) P-C4' energy: -18.165
flat angles C4'-P-C4' energy: -9.478
flat angles P-C4'-P energy: -11.158
tors. eta vs tors. theta energy: -7.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -98.713777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.713777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.713777 (E_RNA)
where:
Base-Base interactions energy: -41.470
where: short stacking energy: -41.470
Base-Backbone interact. energy: -0.109
local terms energy: -57.134533
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -11.195
flat angles C4'-P-C4' energy: -13.404
flat angles P-C4'-P energy: -9.416
tors. eta vs tors. theta energy: -7.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -285.787081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.787081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.787081 (E_RNA)
where:
Base-Base interactions energy: -187.297
where: short stacking energy: -76.815
Base-Backbone interact. energy: -0.002
local terms energy: -98.488078
where:
bonds (distance) C4'-P energy: -20.521
bonds (distance) P-C4' energy: -18.648
flat angles C4'-P-C4' energy: -20.959
flat angles P-C4'-P energy: -14.686
tors. eta vs tors. theta energy: -23.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -289.115773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.115773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.115773 (E_RNA)
where:
Base-Base interactions energy: -198.418
where: short stacking energy: -68.607
Base-Backbone interact. energy: 0.900
local terms energy: -91.597231
where:
bonds (distance) C4'-P energy: -18.067
bonds (distance) P-C4' energy: -14.587
flat angles C4'-P-C4' energy: -21.954
flat angles P-C4'-P energy: -13.636
tors. eta vs tors. theta energy: -23.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -280.019511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.019511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.019511 (E_RNA)
where:
Base-Base interactions energy: -184.591
where: short stacking energy: -77.611
Base-Backbone interact. energy: -0.008
local terms energy: -95.420168
where:
bonds (distance) C4'-P energy: -20.191
bonds (distance) P-C4' energy: -17.432
flat angles C4'-P-C4' energy: -21.028
flat angles P-C4'-P energy: -11.274
tors. eta vs tors. theta energy: -25.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -279.512897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.512897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.512897 (E_RNA)
where:
Base-Base interactions energy: -195.891
where: short stacking energy: -80.765
Base-Backbone interact. energy: -0.013
local terms energy: -83.608366
where:
bonds (distance) C4'-P energy: -14.378
bonds (distance) P-C4' energy: -18.638
flat angles C4'-P-C4' energy: -14.487
flat angles P-C4'-P energy: -11.548
tors. eta vs tors. theta energy: -24.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -259.581565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.581565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.581565 (E_RNA)
where:
Base-Base interactions energy: -171.125
where: short stacking energy: -70.365
Base-Backbone interact. energy: -0.732
local terms energy: -87.724403
where:
bonds (distance) C4'-P energy: -17.358
bonds (distance) P-C4' energy: -16.611
flat angles C4'-P-C4' energy: -16.796
flat angles P-C4'-P energy: -14.835
tors. eta vs tors. theta energy: -22.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -271.758168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.758168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.758168 (E_RNA)
where:
Base-Base interactions energy: -181.072
where: short stacking energy: -80.315
Base-Backbone interact. energy: -0.973
local terms energy: -89.713283
where:
bonds (distance) C4'-P energy: -13.286
bonds (distance) P-C4' energy: -21.553
flat angles C4'-P-C4' energy: -16.682
flat angles P-C4'-P energy: -11.212
tors. eta vs tors. theta energy: -26.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -241.782420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.782420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.782420 (E_RNA)
where:
Base-Base interactions energy: -156.975
where: short stacking energy: -67.085
Base-Backbone interact. energy: -0.167
local terms energy: -84.640169
where:
bonds (distance) C4'-P energy: -16.826
bonds (distance) P-C4' energy: -19.607
flat angles C4'-P-C4' energy: -18.980
flat angles P-C4'-P energy: -9.572
tors. eta vs tors. theta energy: -19.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -122.636089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.636089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.636089 (E_RNA)
where:
Base-Base interactions energy: -59.763
where: short stacking energy: -46.569
Base-Backbone interact. energy: -0.189
local terms energy: -62.684031
where:
bonds (distance) C4'-P energy: -16.849
bonds (distance) P-C4' energy: -22.184
flat angles C4'-P-C4' energy: -6.967
flat angles P-C4'-P energy: -4.678
tors. eta vs tors. theta energy: -12.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -109.747084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.747084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.747084 (E_RNA)
where:
Base-Base interactions energy: -55.700
where: short stacking energy: -32.913
Base-Backbone interact. energy: -0.080
local terms energy: -53.967541
where:
bonds (distance) C4'-P energy: -7.592
bonds (distance) P-C4' energy: -21.156
flat angles C4'-P-C4' energy: -15.504
flat angles P-C4'-P energy: -10.269
tors. eta vs tors. theta energy: 0.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -87.679391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.679391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.679391 (E_RNA)
where:
Base-Base interactions energy: -29.170
where: short stacking energy: -29.170
Base-Backbone interact. energy: -0.075
local terms energy: -58.434451
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -17.572
flat angles C4'-P-C4' energy: -13.502
flat angles P-C4'-P energy: -10.301
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: 1, replica: 5
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -289.847042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.847042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.847042 (E_RNA)
where:
Base-Base interactions energy: -190.237
where: short stacking energy: -83.464
Base-Backbone interact. energy: -0.019
local terms energy: -99.590827
where:
bonds (distance) C4'-P energy: -20.264
bonds (distance) P-C4' energy: -20.862
flat angles C4'-P-C4' energy: -18.754
flat angles P-C4'-P energy: -13.186
tors. eta vs tors. theta energy: -26.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -291.417365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.417365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.417365 (E_RNA)
where:
Base-Base interactions energy: -194.949
where: short stacking energy: -83.743
Base-Backbone interact. energy: -0.447
local terms energy: -96.022128
where:
bonds (distance) C4'-P energy: -17.645
bonds (distance) P-C4' energy: -19.033
flat angles C4'-P-C4' energy: -18.608
flat angles P-C4'-P energy: -14.999
tors. eta vs tors. theta energy: -25.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -285.792905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.792905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.792905 (E_RNA)
where:
Base-Base interactions energy: -195.932
where: short stacking energy: -79.852
Base-Backbone interact. energy: -0.042
local terms energy: -89.819284
where:
bonds (distance) C4'-P energy: -15.898
bonds (distance) P-C4' energy: -21.307
flat angles C4'-P-C4' energy: -20.542
flat angles P-C4'-P energy: -11.563
tors. eta vs tors. theta energy: -20.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -277.120997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.120997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.120997 (E_RNA)
where:
Base-Base interactions energy: -189.617
where: short stacking energy: -83.662
Base-Backbone interact. energy: -0.505
local terms energy: -86.998716
where:
bonds (distance) C4'-P energy: -17.317
bonds (distance) P-C4' energy: -13.643
flat angles C4'-P-C4' energy: -20.879
flat angles P-C4'-P energy: -10.619
tors. eta vs tors. theta energy: -24.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -271.540689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.540689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.540689 (E_RNA)
where:
Base-Base interactions energy: -178.916
where: short stacking energy: -78.663
Base-Backbone interact. energy: -0.007
local terms energy: -92.617461
where:
bonds (distance) C4'-P energy: -18.269
bonds (distance) P-C4' energy: -16.220
flat angles C4'-P-C4' energy: -20.742
flat angles P-C4'-P energy: -13.599
tors. eta vs tors. theta energy: -23.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -265.144860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.144860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.144860 (E_RNA)
where:
Base-Base interactions energy: -183.283
where: short stacking energy: -68.398
Base-Backbone interact. energy: -0.257
local terms energy: -81.605147
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -17.415
flat angles C4'-P-C4' energy: -18.343
flat angles P-C4'-P energy: -11.276
tors. eta vs tors. theta energy: -20.665
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: 4
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -252.280348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.280348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.280348 (E_RNA)
where:
Base-Base interactions energy: -166.150
where: short stacking energy: -59.883
Base-Backbone interact. energy: -0.624
local terms energy: -85.506141
where:
bonds (distance) C4'-P energy: -17.251
bonds (distance) P-C4' energy: -18.046
flat angles C4'-P-C4' energy: -19.167
flat angles P-C4'-P energy: -13.435
tors. eta vs tors. theta energy: -17.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -103.809074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.809074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.809074 (E_RNA)
where:
Base-Base interactions energy: -42.012
where: short stacking energy: -31.965
Base-Backbone interact. energy: -0.694
local terms energy: -61.103134
where:
bonds (distance) C4'-P energy: -13.348
bonds (distance) P-C4' energy: -18.774
flat angles C4'-P-C4' energy: -17.158
flat angles P-C4'-P energy: -12.564
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: 9, replica: 10
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -88.048123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.048123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.048123 (E_RNA)
where:
Base-Base interactions energy: -31.950
where: short stacking energy: -22.260
Base-Backbone interact. energy: 0.386
local terms energy: -56.484270
where:
bonds (distance) C4'-P energy: -13.545
bonds (distance) P-C4' energy: -15.399
flat angles C4'-P-C4' energy: -15.893
flat angles P-C4'-P energy: -7.616
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: 10, replica: 6
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -94.182864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.182864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.182864 (E_RNA)
where:
Base-Base interactions energy: -25.751
where: short stacking energy: -21.410
Base-Backbone interact. energy: -0.212
local terms energy: -68.219866
where:
bonds (distance) C4'-P energy: -17.511
bonds (distance) P-C4' energy: -17.594
flat angles C4'-P-C4' energy: -18.825
flat angles P-C4'-P energy: -7.477
tors. eta vs tors. theta energy: -6.813
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: 5
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -301.227916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.227916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.227916 (E_RNA)
where:
Base-Base interactions energy: -202.629
where: short stacking energy: -89.438
Base-Backbone interact. energy: -0.564
local terms energy: -98.034678
where:
bonds (distance) C4'-P energy: -14.750
bonds (distance) P-C4' energy: -18.350
flat angles C4'-P-C4' energy: -20.320
flat angles P-C4'-P energy: -15.697
tors. eta vs tors. theta energy: -28.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -293.592739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.592739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.592739 (E_RNA)
where:
Base-Base interactions energy: -202.062
where: short stacking energy: -76.505
Base-Backbone interact. energy: -0.810
local terms energy: -90.720896
where:
bonds (distance) C4'-P energy: -18.875
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -19.562
flat angles P-C4'-P energy: -14.105
tors. eta vs tors. theta energy: -21.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -284.244226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.244226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.244226 (E_RNA)
where:
Base-Base interactions energy: -191.506
where: short stacking energy: -72.969
Base-Backbone interact. energy: -0.608
local terms energy: -92.130163
where:
bonds (distance) C4'-P energy: -19.322
bonds (distance) P-C4' energy: -19.644
flat angles C4'-P-C4' energy: -19.922
flat angles P-C4'-P energy: -6.980
tors. eta vs tors. theta energy: -26.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 383
Temperature: 1.050000
Total energy: -276.831070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.831070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.831070 (E_RNA)
where:
Base-Base interactions energy: -196.135
where: short stacking energy: -84.706
Base-Backbone interact. energy: -0.078
local terms energy: -80.617895
where:
bonds (distance) C4'-P energy: -12.540
bonds (distance) P-C4' energy: -15.383
flat angles C4'-P-C4' energy: -17.416
flat angles P-C4'-P energy: -9.118
tors. eta vs tors. theta energy: -26.160
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: 8
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -271.382198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.382198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.382198 (E_RNA)
where:
Base-Base interactions energy: -180.981
where: short stacking energy: -78.782
Base-Backbone interact. energy: -2.767
local terms energy: -87.633396
where:
bonds (distance) C4'-P energy: -17.048
bonds (distance) P-C4' energy: -12.121
flat angles C4'-P-C4' energy: -17.926
flat angles P-C4'-P energy: -13.159
tors. eta vs tors. theta energy: -27.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -243.895694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.895694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.895694 (E_RNA)
where:
Base-Base interactions energy: -159.208
where: short stacking energy: -65.839
Base-Backbone interact. energy: -0.093
local terms energy: -84.595372
where:
bonds (distance) C4'-P energy: -19.507
bonds (distance) P-C4' energy: -17.572
flat angles C4'-P-C4' energy: -19.068
flat angles P-C4'-P energy: -12.162
tors. eta vs tors. theta energy: -16.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -258.216542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.216542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.216542 (E_RNA)
where:
Base-Base interactions energy: -183.103
where: short stacking energy: -64.903
Base-Backbone interact. energy: 1.150
local terms energy: -76.263478
where:
bonds (distance) C4'-P energy: -16.228
bonds (distance) P-C4' energy: -13.957
flat angles C4'-P-C4' energy: -18.512
flat angles P-C4'-P energy: -11.042
tors. eta vs tors. theta energy: -16.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -102.261632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.261632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.261632 (E_RNA)
where:
Base-Base interactions energy: -50.573
where: short stacking energy: -21.387
Base-Backbone interact. energy: 0.333
local terms energy: -52.021473
where:
bonds (distance) C4'-P energy: -18.923
bonds (distance) P-C4' energy: -13.294
flat angles C4'-P-C4' energy: -12.679
flat angles P-C4'-P energy: -7.950
tors. eta vs tors. theta energy: 0.824
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: 10
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -101.357873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.357873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.357873 (E_RNA)
where:
Base-Base interactions energy: -40.594
where: short stacking energy: -37.444
Base-Backbone interact. energy: 0.384
local terms energy: -61.147733
where:
bonds (distance) C4'-P energy: -14.684
bonds (distance) P-C4' energy: -13.430
flat angles C4'-P-C4' energy: -20.315
flat angles P-C4'-P energy: -10.413
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: -80.667040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.667040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.667040 (E_RNA)
where:
Base-Base interactions energy: -26.916
where: short stacking energy: -26.229
Base-Backbone interact. energy: -0.167
local terms energy: -53.583808
where:
bonds (distance) C4'-P energy: -11.426
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -16.925
flat angles P-C4'-P energy: -9.939
tors. eta vs tors. theta energy: 0.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -292.733098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.733098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.733098 (E_RNA)
where:
Base-Base interactions energy: -200.918
where: short stacking energy: -75.139
Base-Backbone interact. energy: -0.393
local terms energy: -91.422019
where:
bonds (distance) C4'-P energy: -16.335
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -20.156
flat angles P-C4'-P energy: -17.574
tors. eta vs tors. theta energy: -23.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -290.074601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.074601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.074601 (E_RNA)
where:
Base-Base interactions energy: -193.854
where: short stacking energy: -87.584
Base-Backbone interact. energy: -0.005
local terms energy: -96.216489
where:
bonds (distance) C4'-P energy: -15.315
bonds (distance) P-C4' energy: -20.331
flat angles C4'-P-C4' energy: -19.449
flat angles P-C4'-P energy: -14.146
tors. eta vs tors. theta energy: -26.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -279.029312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.029312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.029312 (E_RNA)
where:
Base-Base interactions energy: -185.497
where: short stacking energy: -77.726
Base-Backbone interact. energy: -0.387
local terms energy: -93.144993
where:
bonds (distance) C4'-P energy: -14.829
bonds (distance) P-C4' energy: -20.316
flat angles C4'-P-C4' energy: -20.975
flat angles P-C4'-P energy: -14.928
tors. eta vs tors. theta energy: -22.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -286.591490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.591490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.591490 (E_RNA)
where:
Base-Base interactions energy: -192.258
where: short stacking energy: -73.405
Base-Backbone interact. energy: -0.719
local terms energy: -93.614203
where:
bonds (distance) C4'-P energy: -15.045
bonds (distance) P-C4' energy: -19.636
flat angles C4'-P-C4' energy: -20.222
flat angles P-C4'-P energy: -12.341
tors. eta vs tors. theta energy: -26.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -274.826352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.826352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.826352 (E_RNA)
where:
Base-Base interactions energy: -183.340
where: short stacking energy: -68.944
Base-Backbone interact. energy: -0.942
local terms energy: -90.544110
where:
bonds (distance) C4'-P energy: -18.017
bonds (distance) P-C4' energy: -18.459
flat angles C4'-P-C4' energy: -18.026
flat angles P-C4'-P energy: -12.657
tors. eta vs tors. theta energy: -23.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -266.391858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.391858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.391858 (E_RNA)
where:
Base-Base interactions energy: -180.827
where: short stacking energy: -73.952
Base-Backbone interact. energy: -0.278
local terms energy: -85.286974
where:
bonds (distance) C4'-P energy: -17.848
bonds (distance) P-C4' energy: -16.120
flat angles C4'-P-C4' energy: -16.800
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -24.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -258.514630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.514630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.514630 (E_RNA)
where:
Base-Base interactions energy: -172.667
where: short stacking energy: -65.012
Base-Backbone interact. energy: -0.003
local terms energy: -85.844637
where:
bonds (distance) C4'-P energy: -14.412
bonds (distance) P-C4' energy: -19.345
flat angles C4'-P-C4' energy: -20.192
flat angles P-C4'-P energy: -8.638
tors. eta vs tors. theta energy: -23.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -103.971453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.971453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.971453 (E_RNA)
where:
Base-Base interactions energy: -39.844
where: short stacking energy: -38.773
Base-Backbone interact. energy: -0.294
local terms energy: -63.832848
where:
bonds (distance) C4'-P energy: -18.551
bonds (distance) P-C4' energy: -12.597
flat angles C4'-P-C4' energy: -19.213
flat angles P-C4'-P energy: -7.696
tors. eta vs tors. theta energy: -5.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -109.428066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.428066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.428066 (E_RNA)
where:
Base-Base interactions energy: -47.510
where: short stacking energy: -30.521
Base-Backbone interact. energy: -1.132
local terms energy: -60.786321
where:
bonds (distance) C4'-P energy: -15.889
bonds (distance) P-C4' energy: -18.745
flat angles C4'-P-C4' energy: -15.395
flat angles P-C4'-P energy: -9.688
tors. eta vs tors. theta energy: -1.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -89.426895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.426895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.426895 (E_RNA)
where:
Base-Base interactions energy: -30.161
where: short stacking energy: -21.080
Base-Backbone interact. energy: -0.032
local terms energy: -59.233290
where:
bonds (distance) C4'-P energy: -16.420
bonds (distance) P-C4' energy: -17.449
flat angles C4'-P-C4' energy: -16.022
flat angles P-C4'-P energy: -16.288
tors. eta vs tors. theta energy: 6.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -294.444689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.444689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.444689 (E_RNA)
where:
Base-Base interactions energy: -208.656
where: short stacking energy: -72.613
Base-Backbone interact. energy: -0.188
local terms energy: -85.600762
where:
bonds (distance) C4'-P energy: -17.433
bonds (distance) P-C4' energy: -18.333
flat angles C4'-P-C4' energy: -17.639
flat angles P-C4'-P energy: -12.567
tors. eta vs tors. theta energy: -19.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -284.873196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.873196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.873196 (E_RNA)
where:
Base-Base interactions energy: -192.706
where: short stacking energy: -84.390
Base-Backbone interact. energy: -1.315
local terms energy: -90.852823
where:
bonds (distance) C4'-P energy: -14.253
bonds (distance) P-C4' energy: -22.187
flat angles C4'-P-C4' energy: -14.381
flat angles P-C4'-P energy: -12.714
tors. eta vs tors. theta energy: -27.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -289.596344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.596344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.596344 (E_RNA)
where:
Base-Base interactions energy: -195.513
where: short stacking energy: -84.638
Base-Backbone interact. energy: -0.984
local terms energy: -93.099624
where:
bonds (distance) C4'-P energy: -15.731
bonds (distance) P-C4' energy: -20.413
flat angles C4'-P-C4' energy: -19.428
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -27.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -283.038057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.038057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.038057 (E_RNA)
where:
Base-Base interactions energy: -194.901
where: short stacking energy: -79.666
Base-Backbone interact. energy: -0.184
local terms energy: -87.953574
where:
bonds (distance) C4'-P energy: -13.269
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -21.351
flat angles P-C4'-P energy: -13.060
tors. eta vs tors. theta energy: -24.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -272.929375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.929375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.929375 (E_RNA)
where:
Base-Base interactions energy: -180.666
where: short stacking energy: -77.394
Base-Backbone interact. energy: -1.322
local terms energy: -90.941366
where:
bonds (distance) C4'-P energy: -17.940
bonds (distance) P-C4' energy: -14.042
flat angles C4'-P-C4' energy: -17.474
flat angles P-C4'-P energy: -13.538
tors. eta vs tors. theta energy: -27.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -259.973736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.973736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.973736 (E_RNA)
where:
Base-Base interactions energy: -183.866
where: short stacking energy: -74.330
Base-Backbone interact. energy: -0.230
local terms energy: -75.877978
where:
bonds (distance) C4'-P energy: -12.146
bonds (distance) P-C4' energy: -18.169
flat angles C4'-P-C4' energy: -16.263
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -17.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -255.551310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.551310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.551310 (E_RNA)
where:
Base-Base interactions energy: -168.924
where: short stacking energy: -69.241
Base-Backbone interact. energy: -0.239
local terms energy: -86.387366
where:
bonds (distance) C4'-P energy: -17.165
bonds (distance) P-C4' energy: -17.505
flat angles C4'-P-C4' energy: -18.464
flat angles P-C4'-P energy: -13.293
tors. eta vs tors. theta energy: -19.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -104.115081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.115081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.115081 (E_RNA)
where:
Base-Base interactions energy: -47.506
where: short stacking energy: -40.040
Base-Backbone interact. energy: 0.062
local terms energy: -56.671774
where:
bonds (distance) C4'-P energy: -18.672
bonds (distance) P-C4' energy: -14.618
flat angles C4'-P-C4' energy: -15.308
flat angles P-C4'-P energy: -3.049
tors. eta vs tors. theta energy: -5.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -83.458066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.458066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.458066 (E_RNA)
where:
Base-Base interactions energy: -30.232
where: short stacking energy: -28.940
Base-Backbone interact. energy: -0.047
local terms energy: -53.178799
where:
bonds (distance) C4'-P energy: -14.854
bonds (distance) P-C4' energy: -10.950
flat angles C4'-P-C4' energy: -12.699
flat angles P-C4'-P energy: -11.209
tors. eta vs tors. theta energy: -3.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -92.364220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.364220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.364220 (E_RNA)
where:
Base-Base interactions energy: -29.269
where: short stacking energy: -25.626
Base-Backbone interact. energy: -0.165
local terms energy: -62.930159
where:
bonds (distance) C4'-P energy: -20.086
bonds (distance) P-C4' energy: -11.065
flat angles C4'-P-C4' energy: -19.389
flat angles P-C4'-P energy: -7.054
tors. eta vs tors. theta energy: -5.336
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: 2
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -296.067610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.067610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.067610 (E_RNA)
where:
Base-Base interactions energy: -203.143
where: short stacking energy: -83.104
Base-Backbone interact. energy: -0.840
local terms energy: -92.084243
where:
bonds (distance) C4'-P energy: -18.153
bonds (distance) P-C4' energy: -13.821
flat angles C4'-P-C4' energy: -20.691
flat angles P-C4'-P energy: -15.340
tors. eta vs tors. theta energy: -24.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -288.184246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.184246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.184246 (E_RNA)
where:
Base-Base interactions energy: -193.673
where: short stacking energy: -76.974
Base-Backbone interact. energy: -0.022
local terms energy: -94.490039
where:
bonds (distance) C4'-P energy: -13.819
bonds (distance) P-C4' energy: -23.840
flat angles C4'-P-C4' energy: -18.338
flat angles P-C4'-P energy: -15.140
tors. eta vs tors. theta energy: -23.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -281.836081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.836081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.836081 (E_RNA)
where:
Base-Base interactions energy: -186.834
where: short stacking energy: -78.209
Base-Backbone interact. energy: -0.070
local terms energy: -94.931697
where:
bonds (distance) C4'-P energy: -21.046
bonds (distance) P-C4' energy: -21.353
flat angles C4'-P-C4' energy: -17.839
flat angles P-C4'-P energy: -11.112
tors. eta vs tors. theta energy: -23.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -271.347616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.347616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.347616 (E_RNA)
where:
Base-Base interactions energy: -184.238
where: short stacking energy: -77.128
Base-Backbone interact. energy: -0.636
local terms energy: -86.473223
where:
bonds (distance) C4'-P energy: -9.509
bonds (distance) P-C4' energy: -18.959
flat angles C4'-P-C4' energy: -16.336
flat angles P-C4'-P energy: -13.077
tors. eta vs tors. theta energy: -28.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -269.293638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.293638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.293638 (E_RNA)
where:
Base-Base interactions energy: -183.103
where: short stacking energy: -76.489
Base-Backbone interact. energy: -1.563
local terms energy: -84.628479
where:
bonds (distance) C4'-P energy: -17.314
bonds (distance) P-C4' energy: -20.210
flat angles C4'-P-C4' energy: -14.149
flat angles P-C4'-P energy: -11.215
tors. eta vs tors. theta energy: -21.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -271.085707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.085707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.085707 (E_RNA)
where:
Base-Base interactions energy: -174.078
where: short stacking energy: -68.759
Base-Backbone interact. energy: -1.261
local terms energy: -95.747162
where:
bonds (distance) C4'-P energy: -18.989
bonds (distance) P-C4' energy: -17.930
flat angles C4'-P-C4' energy: -19.219
flat angles P-C4'-P energy: -12.480
tors. eta vs tors. theta energy: -27.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -265.774242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.774242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.774242 (E_RNA)
where:
Base-Base interactions energy: -177.282
where: short stacking energy: -71.509
Base-Backbone interact. energy: -0.517
local terms energy: -87.974530
where:
bonds (distance) C4'-P energy: -11.372
bonds (distance) P-C4' energy: -14.356
flat angles C4'-P-C4' energy: -18.996
flat angles P-C4'-P energy: -13.277
tors. eta vs tors. theta energy: -29.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -105.989419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.989419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.989419 (E_RNA)
where:
Base-Base interactions energy: -46.056
where: short stacking energy: -45.810
Base-Backbone interact. energy: -0.029
local terms energy: -59.904402
where:
bonds (distance) C4'-P energy: -14.194
bonds (distance) P-C4' energy: -12.702
flat angles C4'-P-C4' energy: -15.883
flat angles P-C4'-P energy: -6.536
tors. eta vs tors. theta energy: -10.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -104.283050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.283050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.283050 (E_RNA)
where:
Base-Base interactions energy: -40.224
where: short stacking energy: -39.984
Base-Backbone interact. energy: -0.196
local terms energy: -63.863034
where:
bonds (distance) C4'-P energy: -12.489
bonds (distance) P-C4' energy: -13.740
flat angles C4'-P-C4' energy: -17.053
flat angles P-C4'-P energy: -7.212
tors. eta vs tors. theta energy: -13.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -91.784197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.784197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.784197 (E_RNA)
where:
Base-Base interactions energy: -32.186
where: short stacking energy: -29.600
Base-Backbone interact. energy: -0.188
local terms energy: -59.410186
where:
bonds (distance) C4'-P energy: -16.406
bonds (distance) P-C4' energy: -18.656
flat angles C4'-P-C4' energy: -8.677
flat angles P-C4'-P energy: -9.704
tors. eta vs tors. theta energy: -5.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -290.379973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.379973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.379973 (E_RNA)
where:
Base-Base interactions energy: -197.200
where: short stacking energy: -86.352
Base-Backbone interact. energy: -0.304
local terms energy: -92.876084
where:
bonds (distance) C4'-P energy: -18.009
bonds (distance) P-C4' energy: -15.447
flat angles C4'-P-C4' energy: -18.319
flat angles P-C4'-P energy: -14.789
tors. eta vs tors. theta energy: -26.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -291.415199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.415199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.415199 (E_RNA)
where:
Base-Base interactions energy: -206.899
where: short stacking energy: -73.604
Base-Backbone interact. energy: -0.145
local terms energy: -84.371881
where:
bonds (distance) C4'-P energy: -18.361
bonds (distance) P-C4' energy: -19.352
flat angles C4'-P-C4' energy: -15.161
flat angles P-C4'-P energy: -12.713
tors. eta vs tors. theta energy: -18.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -281.300311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.300311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.300311 (E_RNA)
where:
Base-Base interactions energy: -190.215
where: short stacking energy: -74.825
Base-Backbone interact. energy: -0.383
local terms energy: -90.702678
where:
bonds (distance) C4'-P energy: -19.289
bonds (distance) P-C4' energy: -18.947
flat angles C4'-P-C4' energy: -20.643
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -20.635
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: 4
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -276.450024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.450024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.450024 (E_RNA)
where:
Base-Base interactions energy: -193.518
where: short stacking energy: -80.865
Base-Backbone interact. energy: -0.236
local terms energy: -82.696312
where:
bonds (distance) C4'-P energy: -19.705
bonds (distance) P-C4' energy: -12.525
flat angles C4'-P-C4' energy: -16.929
flat angles P-C4'-P energy: -9.166
tors. eta vs tors. theta energy: -24.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -268.729440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.729440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.729440 (E_RNA)
where:
Base-Base interactions energy: -185.740
where: short stacking energy: -72.367
Base-Backbone interact. energy: -0.203
local terms energy: -82.786947
where:
bonds (distance) C4'-P energy: -13.360
bonds (distance) P-C4' energy: -13.576
flat angles C4'-P-C4' energy: -16.629
flat angles P-C4'-P energy: -13.738
tors. eta vs tors. theta energy: -25.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -265.501690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.501690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.501690 (E_RNA)
where:
Base-Base interactions energy: -175.920
where: short stacking energy: -78.126
Base-Backbone interact. energy: -0.339
local terms energy: -89.242508
where:
bonds (distance) C4'-P energy: -18.740
bonds (distance) P-C4' energy: -18.316
flat angles C4'-P-C4' energy: -16.857
flat angles P-C4'-P energy: -11.026
tors. eta vs tors. theta energy: -24.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -270.161377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.161377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.161377 (E_RNA)
where:
Base-Base interactions energy: -181.159
where: short stacking energy: -73.567
Base-Backbone interact. energy: -0.163
local terms energy: -88.839204
where:
bonds (distance) C4'-P energy: -13.683
bonds (distance) P-C4' energy: -19.873
flat angles C4'-P-C4' energy: -18.191
flat angles P-C4'-P energy: -12.664
tors. eta vs tors. theta energy: -24.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -114.736082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.736082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.736082 (E_RNA)
where:
Base-Base interactions energy: -51.044
where: short stacking energy: -34.095
Base-Backbone interact. energy: -0.383
local terms energy: -63.309014
where:
bonds (distance) C4'-P energy: -13.608
bonds (distance) P-C4' energy: -16.155
flat angles C4'-P-C4' energy: -19.145
flat angles P-C4'-P energy: -11.267
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: 9, replica: 6
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -91.346597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.346597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.346597 (E_RNA)
where:
Base-Base interactions energy: -29.861
where: short stacking energy: -26.106
Base-Backbone interact. energy: 1.049
local terms energy: -62.534776
where:
bonds (distance) C4'-P energy: -18.410
bonds (distance) P-C4' energy: -14.908
flat angles C4'-P-C4' energy: -13.660
flat angles P-C4'-P energy: -13.734
tors. eta vs tors. theta energy: -1.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -85.051739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.051739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.051739 (E_RNA)
where:
Base-Base interactions energy: -30.944
where: short stacking energy: -26.239
Base-Backbone interact. energy: 0.287
local terms energy: -54.394987
where:
bonds (distance) C4'-P energy: -17.513
bonds (distance) P-C4' energy: -16.804
flat angles C4'-P-C4' energy: -10.987
flat angles P-C4'-P energy: -12.224
tors. eta vs tors. theta energy: 3.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -287.015989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.015989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.015989 (E_RNA)
where:
Base-Base interactions energy: -191.276
where: short stacking energy: -81.286
Base-Backbone interact. energy: -0.728
local terms energy: -95.011544
where:
bonds (distance) C4'-P energy: -16.544
bonds (distance) P-C4' energy: -18.305
flat angles C4'-P-C4' energy: -21.275
flat angles P-C4'-P energy: -14.982
tors. eta vs tors. theta energy: -23.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -279.947734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.947734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.947734 (E_RNA)
where:
Base-Base interactions energy: -185.658
where: short stacking energy: -70.420
Base-Backbone interact. energy: -0.548
local terms energy: -93.741674
where:
bonds (distance) C4'-P energy: -20.576
bonds (distance) P-C4' energy: -16.850
flat angles C4'-P-C4' energy: -16.423
flat angles P-C4'-P energy: -13.737
tors. eta vs tors. theta energy: -26.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -283.203395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.203395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.203395 (E_RNA)
where:
Base-Base interactions energy: -192.105
where: short stacking energy: -81.242
Base-Backbone interact. energy: -0.032
local terms energy: -91.066961
where:
bonds (distance) C4'-P energy: -20.610
bonds (distance) P-C4' energy: -15.650
flat angles C4'-P-C4' energy: -19.137
flat angles P-C4'-P energy: -14.880
tors. eta vs tors. theta energy: -20.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -281.328186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.328186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.328186 (E_RNA)
where:
Base-Base interactions energy: -188.742
where: short stacking energy: -72.672
Base-Backbone interact. energy: -0.388
local terms energy: -92.198341
where:
bonds (distance) C4'-P energy: -17.793
bonds (distance) P-C4' energy: -18.541
flat angles C4'-P-C4' energy: -20.847
flat angles P-C4'-P energy: -13.532
tors. eta vs tors. theta energy: -21.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -272.575710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.575710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.575710 (E_RNA)
where:
Base-Base interactions energy: -185.936
where: short stacking energy: -68.498
Base-Backbone interact. energy: -0.153
local terms energy: -86.486723
where:
bonds (distance) C4'-P energy: -19.052
bonds (distance) P-C4' energy: -16.996
flat angles C4'-P-C4' energy: -19.903
flat angles P-C4'-P energy: -11.381
tors. eta vs tors. theta energy: -19.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -264.746807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.746807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.746807 (E_RNA)
where:
Base-Base interactions energy: -177.695
where: short stacking energy: -70.617
Base-Backbone interact. energy: -0.059
local terms energy: -86.993393
where:
bonds (distance) C4'-P energy: -14.453
bonds (distance) P-C4' energy: -15.775
flat angles C4'-P-C4' energy: -18.518
flat angles P-C4'-P energy: -14.039
tors. eta vs tors. theta energy: -24.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -258.487603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.487603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.487603 (E_RNA)
where:
Base-Base interactions energy: -186.353
where: short stacking energy: -71.454
Base-Backbone interact. energy: -0.157
local terms energy: -71.978349
where:
bonds (distance) C4'-P energy: -11.331
bonds (distance) P-C4' energy: -17.345
flat angles C4'-P-C4' energy: -13.050
flat angles P-C4'-P energy: -8.103
tors. eta vs tors. theta energy: -22.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -101.396696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.396696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.396696 (E_RNA)
where:
Base-Base interactions energy: -46.120
where: short stacking energy: -23.983
Base-Backbone interact. energy: -0.266
local terms energy: -55.009934
where:
bonds (distance) C4'-P energy: -11.812
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -18.877
flat angles P-C4'-P energy: -7.448
tors. eta vs tors. theta energy: 0.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -97.714517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.714517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.714517 (E_RNA)
where:
Base-Base interactions energy: -39.839
where: short stacking energy: -35.422
Base-Backbone interact. energy: -1.434
local terms energy: -56.441277
where:
bonds (distance) C4'-P energy: -19.022
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -12.082
flat angles P-C4'-P energy: -7.391
tors. eta vs tors. theta energy: -1.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -83.854801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.854801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.854801 (E_RNA)
where:
Base-Base interactions energy: -35.819
where: short stacking energy: -32.889
Base-Backbone interact. energy: 0.265
local terms energy: -48.300305
where:
bonds (distance) C4'-P energy: -12.584
bonds (distance) P-C4' energy: -7.095
flat angles C4'-P-C4' energy: -13.949
flat angles P-C4'-P energy: -11.104
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: 8
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -288.808379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.808379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.808379 (E_RNA)
where:
Base-Base interactions energy: -192.074
where: short stacking energy: -82.059
Base-Backbone interact. energy: -0.032
local terms energy: -96.702335
where:
bonds (distance) C4'-P energy: -17.279
bonds (distance) P-C4' energy: -21.212
flat angles C4'-P-C4' energy: -19.644
flat angles P-C4'-P energy: -13.784
tors. eta vs tors. theta energy: -24.783
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: 2, replica: 2
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -290.435586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.435586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.435586 (E_RNA)
where:
Base-Base interactions energy: -197.811
where: short stacking energy: -78.750
Base-Backbone interact. energy: -0.001
local terms energy: -92.623044
where:
bonds (distance) C4'-P energy: -17.512
bonds (distance) P-C4' energy: -17.510
flat angles C4'-P-C4' energy: -15.971
flat angles P-C4'-P energy: -13.661
tors. eta vs tors. theta energy: -27.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -289.416887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.416887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.416887 (E_RNA)
where:
Base-Base interactions energy: -199.570
where: short stacking energy: -81.671
Base-Backbone interact. energy: -0.002
local terms energy: -89.844568
where:
bonds (distance) C4'-P energy: -14.477
bonds (distance) P-C4' energy: -16.880
flat angles C4'-P-C4' energy: -16.302
flat angles P-C4'-P energy: -15.593
tors. eta vs tors. theta energy: -26.592
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: 3
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -273.487228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.487228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.487228 (E_RNA)
where:
Base-Base interactions energy: -188.287
where: short stacking energy: -68.192
Base-Backbone interact. energy: -0.147
local terms energy: -85.053301
where:
bonds (distance) C4'-P energy: -14.701
bonds (distance) P-C4' energy: -14.285
flat angles C4'-P-C4' energy: -19.709
flat angles P-C4'-P energy: -12.360
tors. eta vs tors. theta energy: -23.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -274.024293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.024293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.024293 (E_RNA)
where:
Base-Base interactions energy: -194.108
where: short stacking energy: -77.914
Base-Backbone interact. energy: -0.817
local terms energy: -79.098926
where:
bonds (distance) C4'-P energy: -9.476
bonds (distance) P-C4' energy: -15.009
flat angles C4'-P-C4' energy: -18.624
flat angles P-C4'-P energy: -11.374
tors. eta vs tors. theta energy: -24.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -275.526183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.526183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.526183 (E_RNA)
where:
Base-Base interactions energy: -183.509
where: short stacking energy: -76.875
Base-Backbone interact. energy: -0.799
local terms energy: -91.218567
where:
bonds (distance) C4'-P energy: -16.965
bonds (distance) P-C4' energy: -17.145
flat angles C4'-P-C4' energy: -19.281
flat angles P-C4'-P energy: -13.504
tors. eta vs tors. theta energy: -24.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -262.690175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.690175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.690175 (E_RNA)
where:
Base-Base interactions energy: -178.448
where: short stacking energy: -72.111
Base-Backbone interact. energy: -0.483
local terms energy: -83.759134
where:
bonds (distance) C4'-P energy: -17.752
bonds (distance) P-C4' energy: -16.627
flat angles C4'-P-C4' energy: -20.114
flat angles P-C4'-P energy: -4.683
tors. eta vs tors. theta energy: -24.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -98.807906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.807906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.807906 (E_RNA)
where:
Base-Base interactions energy: -48.237
where: short stacking energy: -45.067
Base-Backbone interact. energy: -0.702
local terms energy: -49.868680
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -12.104
flat angles C4'-P-C4' energy: -12.719
flat angles P-C4'-P energy: -8.534
tors. eta vs tors. theta energy: -1.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -92.074740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.074740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.074740 (E_RNA)
where:
Base-Base interactions energy: -31.959
where: short stacking energy: -27.966
Base-Backbone interact. energy: -0.954
local terms energy: -59.161676
where:
bonds (distance) C4'-P energy: -15.841
bonds (distance) P-C4' energy: -16.623
flat angles C4'-P-C4' energy: -20.364
flat angles P-C4'-P energy: -8.801
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: 10, replica: 6
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -84.631877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.631877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.631877 (E_RNA)
where:
Base-Base interactions energy: -40.451
where: short stacking energy: -30.049
Base-Backbone interact. energy: -0.526
local terms energy: -43.655030
where:
bonds (distance) C4'-P energy: -10.822
bonds (distance) P-C4' energy: -9.001
flat angles C4'-P-C4' energy: -19.765
flat angles P-C4'-P energy: -5.828
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: 1, replica: 2
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -293.561374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.561374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.561374 (E_RNA)
where:
Base-Base interactions energy: -198.465
where: short stacking energy: -86.728
Base-Backbone interact. energy: -1.262
local terms energy: -93.834377
where:
bonds (distance) C4'-P energy: -18.956
bonds (distance) P-C4' energy: -13.366
flat angles C4'-P-C4' energy: -21.790
flat angles P-C4'-P energy: -13.734
tors. eta vs tors. theta energy: -25.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -286.456870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.456870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.456870 (E_RNA)
where:
Base-Base interactions energy: -194.032
where: short stacking energy: -77.707
Base-Backbone interact. energy: 0.946
local terms energy: -93.370521
where:
bonds (distance) C4'-P energy: -16.775
bonds (distance) P-C4' energy: -16.918
flat angles C4'-P-C4' energy: -20.669
flat angles P-C4'-P energy: -14.088
tors. eta vs tors. theta energy: -24.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -275.026197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.026197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.026197 (E_RNA)
where:
Base-Base interactions energy: -193.539
where: short stacking energy: -82.147
Base-Backbone interact. energy: -0.033
local terms energy: -81.454860
where:
bonds (distance) C4'-P energy: -12.660
bonds (distance) P-C4' energy: -19.200
flat angles C4'-P-C4' energy: -15.547
flat angles P-C4'-P energy: -7.670
tors. eta vs tors. theta energy: -26.378
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: 3
=====================================
Write number: 390
Temperature: 1.050000
Total energy: -268.240158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.240158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.240158 (E_RNA)
where:
Base-Base interactions energy: -184.901
where: short stacking energy: -72.174
Base-Backbone interact. energy: -0.627
local terms energy: -82.711680
where:
bonds (distance) C4'-P energy: -12.734
bonds (distance) P-C4' energy: -19.946
flat angles C4'-P-C4' energy: -15.672
flat angles P-C4'-P energy: -12.422
tors. eta vs tors. theta energy: -21.938
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: 5, replica: 5
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -280.651885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.651885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.651885 (E_RNA)
where:
Base-Base interactions energy: -186.797
where: short stacking energy: -75.634
Base-Backbone interact. energy: -0.461
local terms energy: -93.393350
where:
bonds (distance) C4'-P energy: -16.768
bonds (distance) P-C4' energy: -20.576
flat angles C4'-P-C4' energy: -19.141
flat angles P-C4'-P energy: -11.619
tors. eta vs tors. theta energy: -25.289
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: 9
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -269.144921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.144921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.144921 (E_RNA)
where:
Base-Base interactions energy: -177.245
where: short stacking energy: -73.787
Base-Backbone interact. energy: -0.062
local terms energy: -91.838289
where:
bonds (distance) C4'-P energy: -19.945
bonds (distance) P-C4' energy: -18.552
flat angles C4'-P-C4' energy: -15.472
flat angles P-C4'-P energy: -8.814
tors. eta vs tors. theta energy: -29.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -254.034625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.034625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.034625 (E_RNA)
where:
Base-Base interactions energy: -169.752
where: short stacking energy: -63.276
Base-Backbone interact. energy: -0.676
local terms energy: -83.606266
where:
bonds (distance) C4'-P energy: -17.758
bonds (distance) P-C4' energy: -18.601
flat angles C4'-P-C4' energy: -16.698
flat angles P-C4'-P energy: -11.137
tors. eta vs tors. theta energy: -19.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -105.375227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.375227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.375227 (E_RNA)
where:
Base-Base interactions energy: -43.443
where: short stacking energy: -42.865
Base-Backbone interact. energy: 0.671
local terms energy: -62.602886
where:
bonds (distance) C4'-P energy: -18.137
bonds (distance) P-C4' energy: -19.033
flat angles C4'-P-C4' energy: -13.473
flat angles P-C4'-P energy: -8.122
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: 9, replica: 10
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -81.338488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.338488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.338488 (E_RNA)
where:
Base-Base interactions energy: -25.018
where: short stacking energy: -22.276
Base-Backbone interact. energy: -0.848
local terms energy: -55.471524
where:
bonds (distance) C4'-P energy: -13.816
bonds (distance) P-C4' energy: -16.262
flat angles C4'-P-C4' energy: -15.595
flat angles P-C4'-P energy: -12.823
tors. eta vs tors. theta energy: 3.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -88.648580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.648580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.648580 (E_RNA)
where:
Base-Base interactions energy: -38.228
where: short stacking energy: -38.228
Base-Backbone interact. energy: 0.440
local terms energy: -50.860769
where:
bonds (distance) C4'-P energy: -9.974
bonds (distance) P-C4' energy: -18.400
flat angles C4'-P-C4' energy: -12.793
flat angles P-C4'-P energy: -9.690
tors. eta vs tors. theta energy: -0.004
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: 1, replica: 2
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -295.445876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.445876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.445876 (E_RNA)
where:
Base-Base interactions energy: -198.469
where: short stacking energy: -84.674
Base-Backbone interact. energy: -0.035
local terms energy: -96.941480
where:
bonds (distance) C4'-P energy: -18.013
bonds (distance) P-C4' energy: -17.656
flat angles C4'-P-C4' energy: -18.416
flat angles P-C4'-P energy: -15.409
tors. eta vs tors. theta energy: -27.447
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: 8
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -285.611755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.611755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.611755 (E_RNA)
where:
Base-Base interactions energy: -183.983
where: short stacking energy: -70.836
Base-Backbone interact. energy: -1.132
local terms energy: -100.496184
where:
bonds (distance) C4'-P energy: -19.659
bonds (distance) P-C4' energy: -19.350
flat angles C4'-P-C4' energy: -19.784
flat angles P-C4'-P energy: -16.170
tors. eta vs tors. theta energy: -25.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -290.483913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.483913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.483913 (E_RNA)
where:
Base-Base interactions energy: -201.607
where: short stacking energy: -83.456
Base-Backbone interact. energy: -0.146
local terms energy: -88.730066
where:
bonds (distance) C4'-P energy: -16.064
bonds (distance) P-C4' energy: -19.429
flat angles C4'-P-C4' energy: -16.749
flat angles P-C4'-P energy: -12.240
tors. eta vs tors. theta energy: -24.248
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: 5
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -284.883815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.883815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.883815 (E_RNA)
where:
Base-Base interactions energy: -188.090
where: short stacking energy: -84.247
Base-Backbone interact. energy: -3.370
local terms energy: -93.424446
where:
bonds (distance) C4'-P energy: -17.888
bonds (distance) P-C4' energy: -18.241
flat angles C4'-P-C4' energy: -17.260
flat angles P-C4'-P energy: -14.388
tors. eta vs tors. theta energy: -25.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -271.546582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.546582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.546582 (E_RNA)
where:
Base-Base interactions energy: -185.733
where: short stacking energy: -78.862
Base-Backbone interact. energy: -0.032
local terms energy: -85.782264
where:
bonds (distance) C4'-P energy: -18.060
bonds (distance) P-C4' energy: -13.459
flat angles C4'-P-C4' energy: -17.833
flat angles P-C4'-P energy: -13.506
tors. eta vs tors. theta energy: -22.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -262.650560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.650560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.650560 (E_RNA)
where:
Base-Base interactions energy: -176.727
where: short stacking energy: -69.812
Base-Backbone interact. energy: -0.054
local terms energy: -85.869095
where:
bonds (distance) C4'-P energy: -13.186
bonds (distance) P-C4' energy: -14.759
flat angles C4'-P-C4' energy: -20.824
flat angles P-C4'-P energy: -12.761
tors. eta vs tors. theta energy: -24.339
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: 1
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -247.438637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.438637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.438637 (E_RNA)
where:
Base-Base interactions energy: -162.751
where: short stacking energy: -68.867
Base-Backbone interact. energy: 0.173
local terms energy: -84.860976
where:
bonds (distance) C4'-P energy: -15.429
bonds (distance) P-C4' energy: -14.012
flat angles C4'-P-C4' energy: -17.813
flat angles P-C4'-P energy: -14.502
tors. eta vs tors. theta energy: -23.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -98.987907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.987907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.987907 (E_RNA)
where:
Base-Base interactions energy: -29.015
where: short stacking energy: -29.015
Base-Backbone interact. energy: -0.198
local terms energy: -69.774303
where:
bonds (distance) C4'-P energy: -19.867
bonds (distance) P-C4' energy: -17.155
flat angles C4'-P-C4' energy: -17.242
flat angles P-C4'-P energy: -8.459
tors. eta vs tors. theta energy: -7.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -94.495697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.495697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.495697 (E_RNA)
where:
Base-Base interactions energy: -44.714
where: short stacking energy: -31.017
Base-Backbone interact. energy: -0.158
local terms energy: -49.624067
where:
bonds (distance) C4'-P energy: -15.952
bonds (distance) P-C4' energy: -15.034
flat angles C4'-P-C4' energy: -7.240
flat angles P-C4'-P energy: -9.953
tors. eta vs tors. theta energy: -1.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -86.913713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.913713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.913713 (E_RNA)
where:
Base-Base interactions energy: -29.894
where: short stacking energy: -29.526
Base-Backbone interact. energy: -0.131
local terms energy: -56.888447
where:
bonds (distance) C4'-P energy: -18.774
bonds (distance) P-C4' energy: -13.215
flat angles C4'-P-C4' energy: -9.335
flat angles P-C4'-P energy: -9.329
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: 1, replica: 8
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -292.680240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.680240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.680240 (E_RNA)
where:
Base-Base interactions energy: -200.276
where: short stacking energy: -81.788
Base-Backbone interact. energy: -0.319
local terms energy: -92.085783
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -20.905
flat angles C4'-P-C4' energy: -15.621
flat angles P-C4'-P energy: -14.037
tors. eta vs tors. theta energy: -26.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -291.468122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.468122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.468122 (E_RNA)
where:
Base-Base interactions energy: -198.029
where: short stacking energy: -81.460
Base-Backbone interact. energy: -0.969
local terms energy: -92.470190
where:
bonds (distance) C4'-P energy: -18.560
bonds (distance) P-C4' energy: -17.881
flat angles C4'-P-C4' energy: -20.365
flat angles P-C4'-P energy: -13.046
tors. eta vs tors. theta energy: -22.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -286.275973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.275973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.275973 (E_RNA)
where:
Base-Base interactions energy: -185.912
where: short stacking energy: -77.672
Base-Backbone interact. energy: -0.982
local terms energy: -99.382406
where:
bonds (distance) C4'-P energy: -18.173
bonds (distance) P-C4' energy: -20.086
flat angles C4'-P-C4' energy: -18.819
flat angles P-C4'-P energy: -13.452
tors. eta vs tors. theta energy: -28.852
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: 5
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -279.785774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.785774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.785774 (E_RNA)
where:
Base-Base interactions energy: -187.144
where: short stacking energy: -78.627
Base-Backbone interact. energy: -0.857
local terms energy: -91.784742
where:
bonds (distance) C4'-P energy: -12.609
bonds (distance) P-C4' energy: -20.115
flat angles C4'-P-C4' energy: -19.500
flat angles P-C4'-P energy: -15.597
tors. eta vs tors. theta energy: -23.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -271.708926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.708926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.708926 (E_RNA)
where:
Base-Base interactions energy: -184.418
where: short stacking energy: -78.710
Base-Backbone interact. energy: -0.599
local terms energy: -86.691834
where:
bonds (distance) C4'-P energy: -16.731
bonds (distance) P-C4' energy: -17.216
flat angles C4'-P-C4' energy: -17.030
flat angles P-C4'-P energy: -12.641
tors. eta vs tors. theta energy: -23.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -241.501402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.501402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.501402 (E_RNA)
where:
Base-Base interactions energy: -169.036
where: short stacking energy: -72.040
Base-Backbone interact. energy: 0.464
local terms energy: -72.929457
where:
bonds (distance) C4'-P energy: -14.159
bonds (distance) P-C4' energy: -15.454
flat angles C4'-P-C4' energy: -14.319
flat angles P-C4'-P energy: -9.458
tors. eta vs tors. theta energy: -19.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -265.418889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.418889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.418889 (E_RNA)
where:
Base-Base interactions energy: -181.652
where: short stacking energy: -78.723
Base-Backbone interact. energy: -0.088
local terms energy: -83.678469
where:
bonds (distance) C4'-P energy: -18.208
bonds (distance) P-C4' energy: -10.668
flat angles C4'-P-C4' energy: -17.563
flat angles P-C4'-P energy: -14.601
tors. eta vs tors. theta energy: -22.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -98.403125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.403125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.403125 (E_RNA)
where:
Base-Base interactions energy: -35.715
where: short stacking energy: -33.668
Base-Backbone interact. energy: 0.860
local terms energy: -63.548248
where:
bonds (distance) C4'-P energy: -17.395
bonds (distance) P-C4' energy: -20.406
flat angles C4'-P-C4' energy: -9.476
flat angles P-C4'-P energy: -12.530
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: 9, replica: 10
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -90.697661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.697661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.697661 (E_RNA)
where:
Base-Base interactions energy: -34.385
where: short stacking energy: -29.728
Base-Backbone interact. energy: -0.161
local terms energy: -56.151599
where:
bonds (distance) C4'-P energy: -8.755
bonds (distance) P-C4' energy: -19.862
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -7.285
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: 10, replica: 6
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -103.976081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.976081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.976081 (E_RNA)
where:
Base-Base interactions energy: -46.577
where: short stacking energy: -37.963
Base-Backbone interact. energy: -0.100
local terms energy: -57.299621
where:
bonds (distance) C4'-P energy: -11.048
bonds (distance) P-C4' energy: -16.405
flat angles C4'-P-C4' energy: -18.210
flat angles P-C4'-P energy: -8.069
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: 8
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -287.445016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.445016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.445016 (E_RNA)
where:
Base-Base interactions energy: -194.548
where: short stacking energy: -75.265
Base-Backbone interact. energy: -0.587
local terms energy: -92.310308
where:
bonds (distance) C4'-P energy: -15.310
bonds (distance) P-C4' energy: -16.888
flat angles C4'-P-C4' energy: -22.135
flat angles P-C4'-P energy: -11.290
tors. eta vs tors. theta energy: -26.688
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: 2
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -292.843509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.843509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.843509 (E_RNA)
where:
Base-Base interactions energy: -200.266
where: short stacking energy: -82.283
Base-Backbone interact. energy: -0.080
local terms energy: -92.496853
where:
bonds (distance) C4'-P energy: -13.217
bonds (distance) P-C4' energy: -22.054
flat angles C4'-P-C4' energy: -18.502
flat angles P-C4'-P energy: -15.421
tors. eta vs tors. theta energy: -23.303
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: 4
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -277.342982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.342982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.342982 (E_RNA)
where:
Base-Base interactions energy: -183.681
where: short stacking energy: -79.831
Base-Backbone interact. energy: -0.010
local terms energy: -93.651508
where:
bonds (distance) C4'-P energy: -16.463
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -19.882
flat angles P-C4'-P energy: -15.433
tors. eta vs tors. theta energy: -25.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -272.847843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.847843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.847843 (E_RNA)
where:
Base-Base interactions energy: -196.172
where: short stacking energy: -76.409
Base-Backbone interact. energy: -1.496
local terms energy: -75.180016
where:
bonds (distance) C4'-P energy: -10.051
bonds (distance) P-C4' energy: -11.813
flat angles C4'-P-C4' energy: -18.784
flat angles P-C4'-P energy: -12.743
tors. eta vs tors. theta energy: -21.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -280.749925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.749925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.749925 (E_RNA)
where:
Base-Base interactions energy: -186.874
where: short stacking energy: -77.329
Base-Backbone interact. energy: -0.006
local terms energy: -93.869706
where:
bonds (distance) C4'-P energy: -20.153
bonds (distance) P-C4' energy: -17.485
flat angles C4'-P-C4' energy: -18.105
flat angles P-C4'-P energy: -12.489
tors. eta vs tors. theta energy: -25.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -272.573444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.573444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.573444 (E_RNA)
where:
Base-Base interactions energy: -180.682
where: short stacking energy: -66.254
Base-Backbone interact. energy: -0.046
local terms energy: -91.844789
where:
bonds (distance) C4'-P energy: -18.087
bonds (distance) P-C4' energy: -18.509
flat angles C4'-P-C4' energy: -20.310
flat angles P-C4'-P energy: -10.906
tors. eta vs tors. theta energy: -24.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -227.928903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.928903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.928903 (E_RNA)
where:
Base-Base interactions energy: -144.255
where: short stacking energy: -57.014
Base-Backbone interact. energy: 1.020
local terms energy: -84.694719
where:
bonds (distance) C4'-P energy: -20.414
bonds (distance) P-C4' energy: -17.828
flat angles C4'-P-C4' energy: -20.404
flat angles P-C4'-P energy: -6.753
tors. eta vs tors. theta energy: -19.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -89.013270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.013270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.013270 (E_RNA)
where:
Base-Base interactions energy: -38.536
where: short stacking energy: -36.227
Base-Backbone interact. energy: -0.192
local terms energy: -50.285272
where:
bonds (distance) C4'-P energy: -14.034
bonds (distance) P-C4' energy: -18.874
flat angles C4'-P-C4' energy: -9.643
flat angles P-C4'-P energy: -6.266
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: 9, replica: 7
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -99.547446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.547446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.547446 (E_RNA)
where:
Base-Base interactions energy: -34.203
where: short stacking energy: -29.378
Base-Backbone interact. energy: 0.454
local terms energy: -65.799356
where:
bonds (distance) C4'-P energy: -18.266
bonds (distance) P-C4' energy: -12.728
flat angles C4'-P-C4' energy: -11.364
flat angles P-C4'-P energy: -15.509
tors. eta vs tors. theta energy: -7.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -129.727387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.727387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.727387 (E_RNA)
where:
Base-Base interactions energy: -62.361
where: short stacking energy: -30.752
Base-Backbone interact. energy: -0.038
local terms energy: -67.328833
where:
bonds (distance) C4'-P energy: -17.873
bonds (distance) P-C4' energy: -19.436
flat angles C4'-P-C4' energy: -15.071
flat angles P-C4'-P energy: -7.644
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: 1, replica: 2
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -294.531194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.531194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.531194 (E_RNA)
where:
Base-Base interactions energy: -187.551
where: short stacking energy: -87.469
Base-Backbone interact. energy: -0.600
local terms energy: -106.380120
where:
bonds (distance) C4'-P energy: -22.003
bonds (distance) P-C4' energy: -20.978
flat angles C4'-P-C4' energy: -18.467
flat angles P-C4'-P energy: -16.542
tors. eta vs tors. theta energy: -28.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -297.414272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.414272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.414272 (E_RNA)
where:
Base-Base interactions energy: -201.262
where: short stacking energy: -75.124
Base-Backbone interact. energy: -0.109
local terms energy: -96.042912
where:
bonds (distance) C4'-P energy: -15.860
bonds (distance) P-C4' energy: -21.730
flat angles C4'-P-C4' energy: -18.962
flat angles P-C4'-P energy: -12.516
tors. eta vs tors. theta energy: -26.974
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: 3
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -284.813900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.813900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.813900 (E_RNA)
where:
Base-Base interactions energy: -187.936
where: short stacking energy: -81.761
Base-Backbone interact. energy: -0.556
local terms energy: -96.322297
where:
bonds (distance) C4'-P energy: -18.220
bonds (distance) P-C4' energy: -21.803
flat angles C4'-P-C4' energy: -15.696
flat angles P-C4'-P energy: -12.532
tors. eta vs tors. theta energy: -28.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -272.960876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.960876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.960876 (E_RNA)
where:
Base-Base interactions energy: -182.399
where: short stacking energy: -73.720
Base-Backbone interact. energy: -0.009
local terms energy: -90.552507
where:
bonds (distance) C4'-P energy: -15.628
bonds (distance) P-C4' energy: -19.455
flat angles C4'-P-C4' energy: -18.308
flat angles P-C4'-P energy: -13.940
tors. eta vs tors. theta energy: -23.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -268.236084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.236084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.236084 (E_RNA)
where:
Base-Base interactions energy: -181.812
where: short stacking energy: -68.210
Base-Backbone interact. energy: -0.008
local terms energy: -86.415988
where:
bonds (distance) C4'-P energy: -15.689
bonds (distance) P-C4' energy: -18.259
flat angles C4'-P-C4' energy: -20.368
flat angles P-C4'-P energy: -8.767
tors. eta vs tors. theta energy: -23.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -273.762586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.762586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.762586 (E_RNA)
where:
Base-Base interactions energy: -184.545
where: short stacking energy: -66.183
Base-Backbone interact. energy: 0.011
local terms energy: -89.228070
where:
bonds (distance) C4'-P energy: -20.435
bonds (distance) P-C4' energy: -11.266
flat angles C4'-P-C4' energy: -17.833
flat angles P-C4'-P energy: -12.475
tors. eta vs tors. theta energy: -27.219
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: 9
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -242.620410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.620410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.620410 (E_RNA)
where:
Base-Base interactions energy: -160.705
where: short stacking energy: -63.981
Base-Backbone interact. energy: 0.160
local terms energy: -82.074824
where:
bonds (distance) C4'-P energy: -16.191
bonds (distance) P-C4' energy: -17.300
flat angles C4'-P-C4' energy: -16.907
flat angles P-C4'-P energy: -12.619
tors. eta vs tors. theta energy: -19.058
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: 10
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -98.563027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.563027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.563027 (E_RNA)
where:
Base-Base interactions energy: -42.179
where: short stacking energy: -41.159
Base-Backbone interact. energy: -1.086
local terms energy: -55.298789
where:
bonds (distance) C4'-P energy: -11.343
bonds (distance) P-C4' energy: -17.335
flat angles C4'-P-C4' energy: -14.108
flat angles P-C4'-P energy: -8.238
tors. eta vs tors. theta energy: -4.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -87.344083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.344083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.344083 (E_RNA)
where:
Base-Base interactions energy: -41.310
where: short stacking energy: -29.006
Base-Backbone interact. energy: -0.103
local terms energy: -45.930721
where:
bonds (distance) C4'-P energy: -19.040
bonds (distance) P-C4' energy: -15.976
flat angles C4'-P-C4' energy: -15.741
flat angles P-C4'-P energy: -0.106
tors. eta vs tors. theta energy: 4.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -90.465551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.465551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.465551 (E_RNA)
where:
Base-Base interactions energy: -28.863
where: short stacking energy: -23.524
Base-Backbone interact. energy: -0.477
local terms energy: -61.125332
where:
bonds (distance) C4'-P energy: -19.802
bonds (distance) P-C4' energy: -16.379
flat angles C4'-P-C4' energy: -13.477
flat angles P-C4'-P energy: -12.100
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: 2
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -295.032850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.032850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.032850 (E_RNA)
where:
Base-Base interactions energy: -197.636
where: short stacking energy: -81.574
Base-Backbone interact. energy: -0.499
local terms energy: -96.897947
where:
bonds (distance) C4'-P energy: -17.342
bonds (distance) P-C4' energy: -21.085
flat angles C4'-P-C4' energy: -23.163
flat angles P-C4'-P energy: -9.365
tors. eta vs tors. theta energy: -25.942
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: 8
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -291.272901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.272901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.272901 (E_RNA)
where:
Base-Base interactions energy: -196.936
where: short stacking energy: -79.508
Base-Backbone interact. energy: -0.055
local terms energy: -94.281723
where:
bonds (distance) C4'-P energy: -18.396
bonds (distance) P-C4' energy: -17.537
flat angles C4'-P-C4' energy: -17.853
flat angles P-C4'-P energy: -14.441
tors. eta vs tors. theta energy: -26.054
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: 3, replica: 3
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -287.107441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.107441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.107441 (E_RNA)
where:
Base-Base interactions energy: -197.207
where: short stacking energy: -80.285
Base-Backbone interact. energy: 0.016
local terms energy: -89.915707
where:
bonds (distance) C4'-P energy: -18.116
bonds (distance) P-C4' energy: -17.863
flat angles C4'-P-C4' energy: -18.634
flat angles P-C4'-P energy: -13.986
tors. eta vs tors. theta energy: -21.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -292.009209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.009209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.009209 (E_RNA)
where:
Base-Base interactions energy: -200.508
where: short stacking energy: -77.127
Base-Backbone interact. energy: -0.070
local terms energy: -91.431969
where:
bonds (distance) C4'-P energy: -19.134
bonds (distance) P-C4' energy: -21.374
flat angles C4'-P-C4' energy: -18.059
flat angles P-C4'-P energy: -8.583
tors. eta vs tors. theta energy: -24.282
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: 4
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -282.069604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.069604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.069604 (E_RNA)
where:
Base-Base interactions energy: -193.723
where: short stacking energy: -75.754
Base-Backbone interact. energy: -0.107
local terms energy: -88.239644
where:
bonds (distance) C4'-P energy: -16.097
bonds (distance) P-C4' energy: -15.485
flat angles C4'-P-C4' energy: -19.587
flat angles P-C4'-P energy: -12.235
tors. eta vs tors. theta energy: -24.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -265.156542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.156542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.156542 (E_RNA)
where:
Base-Base interactions energy: -189.345
where: short stacking energy: -68.037
Base-Backbone interact. energy: -0.425
local terms energy: -75.386923
where:
bonds (distance) C4'-P energy: -14.538
bonds (distance) P-C4' energy: -15.040
flat angles C4'-P-C4' energy: -17.698
flat angles P-C4'-P energy: -7.736
tors. eta vs tors. theta energy: -20.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -253.633084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.633084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.633084 (E_RNA)
where:
Base-Base interactions energy: -170.900
where: short stacking energy: -74.984
Base-Backbone interact. energy: -0.053
local terms energy: -82.679342
where:
bonds (distance) C4'-P energy: -11.173
bonds (distance) P-C4' energy: -19.295
flat angles C4'-P-C4' energy: -19.994
flat angles P-C4'-P energy: -10.352
tors. eta vs tors. theta energy: -21.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -97.224193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.224193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.224193 (E_RNA)
where:
Base-Base interactions energy: -41.509
where: short stacking energy: -37.013
Base-Backbone interact. energy: -0.195
local terms energy: -55.520114
where:
bonds (distance) C4'-P energy: -16.643
bonds (distance) P-C4' energy: -12.308
flat angles C4'-P-C4' energy: -12.051
flat angles P-C4'-P energy: -10.835
tors. eta vs tors. theta energy: -3.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -90.710115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.710115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.710115 (E_RNA)
where:
Base-Base interactions energy: -31.894
where: short stacking energy: -17.819
Base-Backbone interact. energy: -0.142
local terms energy: -58.674752
where:
bonds (distance) C4'-P energy: -17.753
bonds (distance) P-C4' energy: -19.085
flat angles C4'-P-C4' energy: -17.973
flat angles P-C4'-P energy: -8.858
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: 10, replica: 7
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -92.469878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.469878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.469878 (E_RNA)
where:
Base-Base interactions energy: -49.822
where: short stacking energy: -22.646
Base-Backbone interact. energy: -1.417
local terms energy: -41.231174
where:
bonds (distance) C4'-P energy: -10.991
bonds (distance) P-C4' energy: -15.936
flat angles C4'-P-C4' energy: -10.873
flat angles P-C4'-P energy: -8.562
tors. eta vs tors. theta energy: 5.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -290.322440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.322440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.322440 (E_RNA)
where:
Base-Base interactions energy: -196.539
where: short stacking energy: -86.735
Base-Backbone interact. energy: -0.009
local terms energy: -93.774384
where:
bonds (distance) C4'-P energy: -18.430
bonds (distance) P-C4' energy: -13.069
flat angles C4'-P-C4' energy: -20.466
flat angles P-C4'-P energy: -12.732
tors. eta vs tors. theta energy: -29.078
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: 8
=====================================
Write number: 396
Temperature: 0.950000
Total energy: -285.001651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.001651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.001651 (E_RNA)
where:
Base-Base interactions energy: -189.465
where: short stacking energy: -75.204
Base-Backbone interact. energy: -1.465
local terms energy: -94.071351
where:
bonds (distance) C4'-P energy: -17.089
bonds (distance) P-C4' energy: -19.008
flat angles C4'-P-C4' energy: -18.284
flat angles P-C4'-P energy: -14.902
tors. eta vs tors. theta energy: -24.788
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: 3
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -277.136994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.136994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.136994 (E_RNA)
where:
Base-Base interactions energy: -188.609
where: short stacking energy: -76.042
Base-Backbone interact. energy: -0.014
local terms energy: -88.513245
where:
bonds (distance) C4'-P energy: -13.997
bonds (distance) P-C4' energy: -17.167
flat angles C4'-P-C4' energy: -20.215
flat angles P-C4'-P energy: -13.432
tors. eta vs tors. theta energy: -23.701
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: 1
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -283.085094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.085094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.085094 (E_RNA)
where:
Base-Base interactions energy: -192.741
where: short stacking energy: -81.314
Base-Backbone interact. energy: -1.349
local terms energy: -88.994498
where:
bonds (distance) C4'-P energy: -17.384
bonds (distance) P-C4' energy: -13.217
flat angles C4'-P-C4' energy: -22.979
flat angles P-C4'-P energy: -13.427
tors. eta vs tors. theta energy: -21.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -277.234554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.234554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.234554 (E_RNA)
where:
Base-Base interactions energy: -186.195
where: short stacking energy: -84.125
Base-Backbone interact. energy: -0.069
local terms energy: -90.970153
where:
bonds (distance) C4'-P energy: -21.022
bonds (distance) P-C4' energy: -19.868
flat angles C4'-P-C4' energy: -14.164
flat angles P-C4'-P energy: -9.346
tors. eta vs tors. theta energy: -26.570
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: 396
Temperature: 1.150000
Total energy: -273.028626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.028626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.028626 (E_RNA)
where:
Base-Base interactions energy: -177.621
where: short stacking energy: -77.303
Base-Backbone interact. energy: 0.707
local terms energy: -96.114700
where:
bonds (distance) C4'-P energy: -19.983
bonds (distance) P-C4' energy: -18.533
flat angles C4'-P-C4' energy: -14.217
flat angles P-C4'-P energy: -15.415
tors. eta vs tors. theta energy: -27.967
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: 9
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -257.872577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.872577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.872577 (E_RNA)
where:
Base-Base interactions energy: -177.522
where: short stacking energy: -65.078
Base-Backbone interact. energy: -0.159
local terms energy: -80.191251
where:
bonds (distance) C4'-P energy: -18.710
bonds (distance) P-C4' energy: -13.414
flat angles C4'-P-C4' energy: -16.233
flat angles P-C4'-P energy: -10.841
tors. eta vs tors. theta energy: -20.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -97.516370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.516370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.516370 (E_RNA)
where:
Base-Base interactions energy: -32.928
where: short stacking energy: -31.203
Base-Backbone interact. energy: -0.150
local terms energy: -64.438380
where:
bonds (distance) C4'-P energy: -15.303
bonds (distance) P-C4' energy: -17.561
flat angles C4'-P-C4' energy: -16.741
flat angles P-C4'-P energy: -8.117
tors. eta vs tors. theta energy: -6.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -94.126622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.126622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.126622 (E_RNA)
where:
Base-Base interactions energy: -42.603
where: short stacking energy: -24.022
Base-Backbone interact. energy: 0.825
local terms energy: -52.348272
where:
bonds (distance) C4'-P energy: -12.514
bonds (distance) P-C4' energy: -19.546
flat angles C4'-P-C4' energy: -10.248
flat angles P-C4'-P energy: -9.530
tors. eta vs tors. theta energy: -0.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -80.758653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.758653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.758653 (E_RNA)
where:
Base-Base interactions energy: -23.642
where: short stacking energy: -23.642
Base-Backbone interact. energy: -3.678
local terms energy: -53.439252
where:
bonds (distance) C4'-P energy: -10.765
bonds (distance) P-C4' energy: -15.233
flat angles C4'-P-C4' energy: -14.334
flat angles P-C4'-P energy: -10.557
tors. eta vs tors. theta energy: -2.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -291.639593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.639593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.639593 (E_RNA)
where:
Base-Base interactions energy: -197.461
where: short stacking energy: -78.286
Base-Backbone interact. energy: -1.233
local terms energy: -92.945815
where:
bonds (distance) C4'-P energy: -17.281
bonds (distance) P-C4' energy: -17.636
flat angles C4'-P-C4' energy: -21.638
flat angles P-C4'-P energy: -17.914
tors. eta vs tors. theta energy: -18.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -287.070532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.070532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.070532 (E_RNA)
where:
Base-Base interactions energy: -198.632
where: short stacking energy: -80.734
Base-Backbone interact. energy: -0.002
local terms energy: -88.436661
where:
bonds (distance) C4'-P energy: -13.864
bonds (distance) P-C4' energy: -18.544
flat angles C4'-P-C4' energy: -21.787
flat angles P-C4'-P energy: -10.614
tors. eta vs tors. theta energy: -23.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -275.593487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.593487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.593487 (E_RNA)
where:
Base-Base interactions energy: -182.778
where: short stacking energy: -84.597
Base-Backbone interact. energy: -1.297
local terms energy: -91.518276
where:
bonds (distance) C4'-P energy: -17.722
bonds (distance) P-C4' energy: -18.952
flat angles C4'-P-C4' energy: -17.572
flat angles P-C4'-P energy: -13.829
tors. eta vs tors. theta energy: -23.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 397
Temperature: 1.050000
Total energy: -274.571910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.571910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.571910 (E_RNA)
where:
Base-Base interactions energy: -197.602
where: short stacking energy: -76.613
Base-Backbone interact. energy: -0.145
local terms energy: -76.825269
where:
bonds (distance) C4'-P energy: -14.704
bonds (distance) P-C4' energy: -13.148
flat angles C4'-P-C4' energy: -18.840
flat angles P-C4'-P energy: -11.603
tors. eta vs tors. theta energy: -18.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -251.843102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.843102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.843102 (E_RNA)
where:
Base-Base interactions energy: -171.600
where: short stacking energy: -57.673
Base-Backbone interact. energy: -0.423
local terms energy: -79.820820
where:
bonds (distance) C4'-P energy: -14.715
bonds (distance) P-C4' energy: -14.834
flat angles C4'-P-C4' energy: -12.109
flat angles P-C4'-P energy: -14.189
tors. eta vs tors. theta energy: -23.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -268.182817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.182817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.182817 (E_RNA)
where:
Base-Base interactions energy: -182.428
where: short stacking energy: -87.392
Base-Backbone interact. energy: -0.016
local terms energy: -85.739239
where:
bonds (distance) C4'-P energy: -18.017
bonds (distance) P-C4' energy: -15.531
flat angles C4'-P-C4' energy: -17.253
flat angles P-C4'-P energy: -10.569
tors. eta vs tors. theta energy: -24.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -258.971930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.971930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.971930 (E_RNA)
where:
Base-Base interactions energy: -173.102
where: short stacking energy: -68.240
Base-Backbone interact. energy: -0.674
local terms energy: -85.196719
where:
bonds (distance) C4'-P energy: -13.851
bonds (distance) P-C4' energy: -15.087
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -14.524
tors. eta vs tors. theta energy: -26.505
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: 7
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -97.260699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.260699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.260699 (E_RNA)
where:
Base-Base interactions energy: -36.679
where: short stacking energy: -31.758
Base-Backbone interact. energy: -0.689
local terms energy: -59.892907
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -19.790
flat angles C4'-P-C4' energy: -12.467
flat angles P-C4'-P energy: -9.606
tors. eta vs tors. theta energy: -2.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -90.038226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.038226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.038226 (E_RNA)
where:
Base-Base interactions energy: -32.695
where: short stacking energy: -32.571
Base-Backbone interact. energy: -0.466
local terms energy: -56.877723
where:
bonds (distance) C4'-P energy: -12.892
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -13.190
flat angles P-C4'-P energy: -11.306
tors. eta vs tors. theta energy: -1.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -81.941644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.941644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.941644 (E_RNA)
where:
Base-Base interactions energy: -36.115
where: short stacking energy: -16.428
Base-Backbone interact. energy: 0.561
local terms energy: -46.388168
where:
bonds (distance) C4'-P energy: -16.254
bonds (distance) P-C4' energy: -13.941
flat angles C4'-P-C4' energy: -11.255
flat angles P-C4'-P energy: -4.641
tors. eta vs tors. theta energy: -0.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -291.375872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.375872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.375872 (E_RNA)
where:
Base-Base interactions energy: -193.419
where: short stacking energy: -85.605
Base-Backbone interact. energy: -0.101
local terms energy: -97.856486
where:
bonds (distance) C4'-P energy: -19.793
bonds (distance) P-C4' energy: -19.402
flat angles C4'-P-C4' energy: -19.875
flat angles P-C4'-P energy: -14.571
tors. eta vs tors. theta energy: -24.216
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: 2
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -288.301352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.301352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.301352 (E_RNA)
where:
Base-Base interactions energy: -199.427
where: short stacking energy: -81.478
Base-Backbone interact. energy: 0.779
local terms energy: -89.653431
where:
bonds (distance) C4'-P energy: -17.066
bonds (distance) P-C4' energy: -19.795
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -9.384
tors. eta vs tors. theta energy: -27.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -289.222253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.222253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.222253 (E_RNA)
where:
Base-Base interactions energy: -205.947
where: short stacking energy: -78.465
Base-Backbone interact. energy: 0.878
local terms energy: -84.152518
where:
bonds (distance) C4'-P energy: -16.708
bonds (distance) P-C4' energy: -16.089
flat angles C4'-P-C4' energy: -15.071
flat angles P-C4'-P energy: -13.432
tors. eta vs tors. theta energy: -22.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -270.692820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.692820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.692820 (E_RNA)
where:
Base-Base interactions energy: -182.937
where: short stacking energy: -76.160
Base-Backbone interact. energy: -0.115
local terms energy: -87.640400
where:
bonds (distance) C4'-P energy: -13.431
bonds (distance) P-C4' energy: -20.203
flat angles C4'-P-C4' energy: -18.336
flat angles P-C4'-P energy: -11.914
tors. eta vs tors. theta energy: -23.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -250.226205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.226205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.226205 (E_RNA)
where:
Base-Base interactions energy: -165.358
where: short stacking energy: -63.688
Base-Backbone interact. energy: -0.031
local terms energy: -84.837760
where:
bonds (distance) C4'-P energy: -14.043
bonds (distance) P-C4' energy: -18.376
flat angles C4'-P-C4' energy: -19.238
flat angles P-C4'-P energy: -11.664
tors. eta vs tors. theta energy: -21.518
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: 4
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -252.241019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.241019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.241019 (E_RNA)
where:
Base-Base interactions energy: -169.878
where: short stacking energy: -72.066
Base-Backbone interact. energy: -0.583
local terms energy: -81.780047
where:
bonds (distance) C4'-P energy: -14.734
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -16.771
flat angles P-C4'-P energy: -10.889
tors. eta vs tors. theta energy: -22.324
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: 398
Temperature: 1.200000
Total energy: -256.992612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.992612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.992612 (E_RNA)
where:
Base-Base interactions energy: -182.158
where: short stacking energy: -70.452
Base-Backbone interact. energy: -0.103
local terms energy: -74.731539
where:
bonds (distance) C4'-P energy: -15.413
bonds (distance) P-C4' energy: -12.825
flat angles C4'-P-C4' energy: -19.042
flat angles P-C4'-P energy: -7.618
tors. eta vs tors. theta energy: -19.834
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -98.348591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.348591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.348591 (E_RNA)
where:
Base-Base interactions energy: -43.533
where: short stacking energy: -25.083
Base-Backbone interact. energy: -0.579
local terms energy: -54.236425
where:
bonds (distance) C4'-P energy: -15.553
bonds (distance) P-C4' energy: -20.070
flat angles C4'-P-C4' energy: -10.727
flat angles P-C4'-P energy: -6.255
tors. eta vs tors. theta energy: -1.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -92.957221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.957221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.957221 (E_RNA)
where:
Base-Base interactions energy: -31.008
where: short stacking energy: -27.800
Base-Backbone interact. energy: -0.136
local terms energy: -61.813208
where:
bonds (distance) C4'-P energy: -14.728
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -14.330
flat angles P-C4'-P energy: -11.619
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: 10, replica: 6
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -79.514111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.514111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.514111 (E_RNA)
where:
Base-Base interactions energy: -30.353
where: short stacking energy: -30.353
Base-Backbone interact. energy: 0.290
local terms energy: -49.450958
where:
bonds (distance) C4'-P energy: -17.741
bonds (distance) P-C4' energy: -13.183
flat angles C4'-P-C4' energy: -9.673
flat angles P-C4'-P energy: -9.761
tors. eta vs tors. theta energy: 0.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -289.191140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.191140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.191140 (E_RNA)
where:
Base-Base interactions energy: -197.393
where: short stacking energy: -76.890
Base-Backbone interact. energy: -1.503
local terms energy: -90.295177
where:
bonds (distance) C4'-P energy: -14.590
bonds (distance) P-C4' energy: -17.330
flat angles C4'-P-C4' energy: -19.954
flat angles P-C4'-P energy: -16.464
tors. eta vs tors. theta energy: -21.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -284.188645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.188645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.188645 (E_RNA)
where:
Base-Base interactions energy: -190.139
where: short stacking energy: -74.300
Base-Backbone interact. energy: -0.086
local terms energy: -93.963487
where:
bonds (distance) C4'-P energy: -16.882
bonds (distance) P-C4' energy: -18.212
flat angles C4'-P-C4' energy: -20.570
flat angles P-C4'-P energy: -12.654
tors. eta vs tors. theta energy: -25.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -288.634741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.634741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.634741 (E_RNA)
where:
Base-Base interactions energy: -198.331
where: short stacking energy: -86.035
Base-Backbone interact. energy: -0.862
local terms energy: -89.441662
where:
bonds (distance) C4'-P energy: -17.566
bonds (distance) P-C4' energy: -17.815
flat angles C4'-P-C4' energy: -17.315
flat angles P-C4'-P energy: -11.464
tors. eta vs tors. theta energy: -25.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -264.709050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.709050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.709050 (E_RNA)
where:
Base-Base interactions energy: -174.237
where: short stacking energy: -74.367
Base-Backbone interact. energy: -0.643
local terms energy: -89.828918
where:
bonds (distance) C4'-P energy: -16.120
bonds (distance) P-C4' energy: -20.046
flat angles C4'-P-C4' energy: -19.047
flat angles P-C4'-P energy: -12.199
tors. eta vs tors. theta energy: -22.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -267.122199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.122199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.122199 (E_RNA)
where:
Base-Base interactions energy: -182.602
where: short stacking energy: -69.862
Base-Backbone interact. energy: 0.145
local terms energy: -84.665538
where:
bonds (distance) C4'-P energy: -10.674
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -20.970
flat angles P-C4'-P energy: -11.564
tors. eta vs tors. theta energy: -26.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -261.646011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.646011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.646011 (E_RNA)
where:
Base-Base interactions energy: -171.658
where: short stacking energy: -62.347
Base-Backbone interact. energy: 1.028
local terms energy: -91.015696
where:
bonds (distance) C4'-P energy: -18.728
bonds (distance) P-C4' energy: -19.561
flat angles C4'-P-C4' energy: -16.717
flat angles P-C4'-P energy: -14.295
tors. eta vs tors. theta energy: -21.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -257.234935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.234935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.234935 (E_RNA)
where:
Base-Base interactions energy: -174.202
where: short stacking energy: -75.403
Base-Backbone interact. energy: -0.137
local terms energy: -82.895437
where:
bonds (distance) C4'-P energy: -16.948
bonds (distance) P-C4' energy: -16.766
flat angles C4'-P-C4' energy: -17.872
flat angles P-C4'-P energy: -11.466
tors. eta vs tors. theta energy: -19.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -109.117174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.117174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.117174 (E_RNA)
where:
Base-Base interactions energy: -49.457
where: short stacking energy: -41.928
Base-Backbone interact. energy: -0.063
local terms energy: -59.597689
where:
bonds (distance) C4'-P energy: -12.822
bonds (distance) P-C4' energy: -14.532
flat angles C4'-P-C4' energy: -11.885
flat angles P-C4'-P energy: -14.187
tors. eta vs tors. theta energy: -6.171
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: 7
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -108.741031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.741031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.741031 (E_RNA)
where:
Base-Base interactions energy: -44.933
where: short stacking energy: -35.128
Base-Backbone interact. energy: -0.653
local terms energy: -63.155748
where:
bonds (distance) C4'-P energy: -12.246
bonds (distance) P-C4' energy: -18.116
flat angles C4'-P-C4' energy: -19.336
flat angles P-C4'-P energy: -8.310
tors. eta vs tors. theta energy: -5.148
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: 6
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -93.795465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.795465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.795465 (E_RNA)
where:
Base-Base interactions energy: -38.640
where: short stacking energy: -36.056
Base-Backbone interact. energy: -0.255
local terms energy: -54.900639
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -18.707
flat angles C4'-P-C4' energy: -10.203
flat angles P-C4'-P energy: -7.317
tors. eta vs tors. theta energy: -2.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -291.295546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.295546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.295546 (E_RNA)
where:
Base-Base interactions energy: -196.869
where: short stacking energy: -77.982
Base-Backbone interact. energy: -0.277
local terms energy: -94.148896
where:
bonds (distance) C4'-P energy: -18.790
bonds (distance) P-C4' energy: -18.755
flat angles C4'-P-C4' energy: -21.713
flat angles P-C4'-P energy: -15.412
tors. eta vs tors. theta energy: -19.478
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: 400
Temperature: 0.950000
Total energy: -289.157680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.157680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.157680 (E_RNA)
where:
Base-Base interactions energy: -192.698
where: short stacking energy: -81.020
Base-Backbone interact. energy: -0.625
local terms energy: -95.835159
where:
bonds (distance) C4'-P energy: -18.355
bonds (distance) P-C4' energy: -16.880
flat angles C4'-P-C4' energy: -19.526
flat angles P-C4'-P energy: -14.696
tors. eta vs tors. theta energy: -26.378
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: 3, replica: 8
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -280.097578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.097578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.097578 (E_RNA)
where:
Base-Base interactions energy: -190.370
where: short stacking energy: -72.703
Base-Backbone interact. energy: -0.068
local terms energy: -89.659544
where:
bonds (distance) C4'-P energy: -17.612
bonds (distance) P-C4' energy: -18.814
flat angles C4'-P-C4' energy: -18.692
flat angles P-C4'-P energy: -14.833
tors. eta vs tors. theta energy: -19.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -274.394775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.394775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.394775 (E_RNA)
where:
Base-Base interactions energy: -185.689
where: short stacking energy: -77.428
Base-Backbone interact. energy: -0.062
local terms energy: -88.644192
where:
bonds (distance) C4'-P energy: -15.347
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -14.786
flat angles P-C4'-P energy: -14.589
tors. eta vs tors. theta energy: -26.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -265.447749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.447749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.447749 (E_RNA)
where:
Base-Base interactions energy: -181.912
where: short stacking energy: -84.527
Base-Backbone interact. energy: -0.200
local terms energy: -83.335873
where:
bonds (distance) C4'-P energy: -14.956
bonds (distance) P-C4' energy: -11.059
flat angles C4'-P-C4' energy: -18.034
flat angles P-C4'-P energy: -11.290
tors. eta vs tors. theta energy: -27.997
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: 5
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -269.338162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.338162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.338162 (E_RNA)
where:
Base-Base interactions energy: -183.880
where: short stacking energy: -77.320
Base-Backbone interact. energy: 0.103
local terms energy: -85.560919
where:
bonds (distance) C4'-P energy: -12.616
bonds (distance) P-C4' energy: -19.756
flat angles C4'-P-C4' energy: -15.339
flat angles P-C4'-P energy: -13.686
tors. eta vs tors. theta energy: -24.163
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: 4
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -261.504819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.504819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.504819 (E_RNA)
where:
Base-Base interactions energy: -170.314
where: short stacking energy: -68.089
Base-Backbone interact. energy: -0.175
local terms energy: -91.016183
where:
bonds (distance) C4'-P energy: -13.086
bonds (distance) P-C4' energy: -18.980
flat angles C4'-P-C4' energy: -20.409
flat angles P-C4'-P energy: -14.683
tors. eta vs tors. theta energy: -23.859
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: 10
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -108.181885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.181885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.181885 (E_RNA)
where:
Base-Base interactions energy: -46.934
where: short stacking energy: -33.861
Base-Backbone interact. energy: -0.650
local terms energy: -60.598420
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -18.058
flat angles C4'-P-C4' energy: -15.309
flat angles P-C4'-P energy: -9.425
tors. eta vs tors. theta energy: -2.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -94.963253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.963253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.963253 (E_RNA)
where:
Base-Base interactions energy: -36.373
where: short stacking energy: -34.543
Base-Backbone interact. energy: 1.137
local terms energy: -59.726331
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -15.149
flat angles C4'-P-C4' energy: -16.662
flat angles P-C4'-P energy: -7.362
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: 10, replica: 6
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -80.468898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.468898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.468898 (E_RNA)
where:
Base-Base interactions energy: -25.721
where: short stacking energy: -25.721
Base-Backbone interact. energy: 1.778
local terms energy: -56.525253
where:
bonds (distance) C4'-P energy: -13.410
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -14.754
flat angles P-C4'-P energy: -11.930
tors. eta vs tors. theta energy: -0.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -288.574523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.574523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.574523 (E_RNA)
where:
Base-Base interactions energy: -197.175
where: short stacking energy: -76.091
Base-Backbone interact. energy: -0.123
local terms energy: -91.276061
where:
bonds (distance) C4'-P energy: -17.086
bonds (distance) P-C4' energy: -20.880
flat angles C4'-P-C4' energy: -17.593
flat angles P-C4'-P energy: -13.856
tors. eta vs tors. theta energy: -21.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -282.866952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.866952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.866952 (E_RNA)
where:
Base-Base interactions energy: -190.013
where: short stacking energy: -86.282
Base-Backbone interact. energy: -1.560
local terms energy: -91.294778
where:
bonds (distance) C4'-P energy: -15.943
bonds (distance) P-C4' energy: -17.372
flat angles C4'-P-C4' energy: -21.936
flat angles P-C4'-P energy: -12.815
tors. eta vs tors. theta energy: -23.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -274.922169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.922169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.922169 (E_RNA)
where:
Base-Base interactions energy: -189.825
where: short stacking energy: -68.564
Base-Backbone interact. energy: -0.105
local terms energy: -84.992380
where:
bonds (distance) C4'-P energy: -20.249
bonds (distance) P-C4' energy: -18.524
flat angles C4'-P-C4' energy: -12.356
flat angles P-C4'-P energy: -13.594
tors. eta vs tors. theta energy: -20.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -272.715084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.715084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.715084 (E_RNA)
where:
Base-Base interactions energy: -188.102
where: short stacking energy: -67.463
Base-Backbone interact. energy: -0.116
local terms energy: -84.496321
where:
bonds (distance) C4'-P energy: -14.883
bonds (distance) P-C4' energy: -19.167
flat angles C4'-P-C4' energy: -20.260
flat angles P-C4'-P energy: -13.521
tors. eta vs tors. theta energy: -16.665
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: 5, replica: 2
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -279.171965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.171965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.171965 (E_RNA)
where:
Base-Base interactions energy: -193.546
where: short stacking energy: -70.048
Base-Backbone interact. energy: -0.451
local terms energy: -85.175173
where:
bonds (distance) C4'-P energy: -16.484
bonds (distance) P-C4' energy: -22.159
flat angles C4'-P-C4' energy: -14.651
flat angles P-C4'-P energy: -13.911
tors. eta vs tors. theta energy: -17.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -248.974358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.974358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.974358 (E_RNA)
where:
Base-Base interactions energy: -161.186
where: short stacking energy: -70.655
Base-Backbone interact. energy: -0.871
local terms energy: -86.917217
where:
bonds (distance) C4'-P energy: -17.536
bonds (distance) P-C4' energy: -18.265
flat angles C4'-P-C4' energy: -16.514
flat angles P-C4'-P energy: -12.985
tors. eta vs tors. theta energy: -21.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -224.701894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.701894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.701894 (E_RNA)
where:
Base-Base interactions energy: -149.526
where: short stacking energy: -65.408
Base-Backbone interact. energy: 0.009
local terms energy: -75.185524
where:
bonds (distance) C4'-P energy: -12.407
bonds (distance) P-C4' energy: -17.089
flat angles C4'-P-C4' energy: -14.756
flat angles P-C4'-P energy: -11.459
tors. eta vs tors. theta energy: -19.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -102.511108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.511108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.511108 (E_RNA)
where:
Base-Base interactions energy: -45.928
where: short stacking energy: -27.166
Base-Backbone interact. energy: -0.156
local terms energy: -56.427849
where:
bonds (distance) C4'-P energy: -17.981
bonds (distance) P-C4' energy: -12.502
flat angles C4'-P-C4' energy: -15.572
flat angles P-C4'-P energy: -11.318
tors. eta vs tors. theta energy: 0.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -106.908016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.908016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.908016 (E_RNA)
where:
Base-Base interactions energy: -45.634
where: short stacking energy: -35.116
Base-Backbone interact. energy: -0.765
local terms energy: -60.509094
where:
bonds (distance) C4'-P energy: -16.659
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -7.930
flat angles P-C4'-P energy: -14.783
tors. eta vs tors. theta energy: -4.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -91.290414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.290414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.290414 (E_RNA)
where:
Base-Base interactions energy: -33.581
where: short stacking energy: -30.434
Base-Backbone interact. energy: -0.391
local terms energy: -57.318280
where:
bonds (distance) C4'-P energy: -16.489
bonds (distance) P-C4' energy: -19.411
flat angles C4'-P-C4' energy: -11.397
flat angles P-C4'-P energy: -8.295
tors. eta vs tors. theta energy: -1.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -294.852250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.852250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.852250 (E_RNA)
where:
Base-Base interactions energy: -202.828
where: short stacking energy: -84.031
Base-Backbone interact. energy: -0.380
local terms energy: -91.644707
where:
bonds (distance) C4'-P energy: -17.587
bonds (distance) P-C4' energy: -20.285
flat angles C4'-P-C4' energy: -17.605
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: -26.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -288.855380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.855380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.855380 (E_RNA)
where:
Base-Base interactions energy: -194.973
where: short stacking energy: -83.033
Base-Backbone interact. energy: -1.101
local terms energy: -92.780920
where:
bonds (distance) C4'-P energy: -14.515
bonds (distance) P-C4' energy: -20.828
flat angles C4'-P-C4' energy: -18.254
flat angles P-C4'-P energy: -11.635
tors. eta vs tors. theta energy: -27.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -275.202692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.202692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.202692 (E_RNA)
where:
Base-Base interactions energy: -198.096
where: short stacking energy: -72.994
Base-Backbone interact. energy: -0.239
local terms energy: -76.867300
where:
bonds (distance) C4'-P energy: -14.195
bonds (distance) P-C4' energy: -19.396
flat angles C4'-P-C4' energy: -17.785
flat angles P-C4'-P energy: -3.666
tors. eta vs tors. theta energy: -21.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -281.372666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.372666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.372666 (E_RNA)
where:
Base-Base interactions energy: -199.453
where: short stacking energy: -76.941
Base-Backbone interact. energy: -0.260
local terms energy: -81.659702
where:
bonds (distance) C4'-P energy: -11.394
bonds (distance) P-C4' energy: -17.398
flat angles C4'-P-C4' energy: -20.283
flat angles P-C4'-P energy: -12.726
tors. eta vs tors. theta energy: -19.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -259.251253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.251253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.251253 (E_RNA)
where:
Base-Base interactions energy: -171.894
where: short stacking energy: -71.869
Base-Backbone interact. energy: -0.003
local terms energy: -87.354701
where:
bonds (distance) C4'-P energy: -16.060
bonds (distance) P-C4' energy: -17.060
flat angles C4'-P-C4' energy: -21.489
flat angles P-C4'-P energy: -12.357
tors. eta vs tors. theta energy: -20.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -258.417332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.417332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.417332 (E_RNA)
where:
Base-Base interactions energy: -175.555
where: short stacking energy: -61.133
Base-Backbone interact. energy: -0.507
local terms energy: -82.355645
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -20.985
flat angles C4'-P-C4' energy: -15.725
flat angles P-C4'-P energy: -16.060
tors. eta vs tors. theta energy: -16.082
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: 5
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -198.997333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.997333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.997333 (E_RNA)
where:
Base-Base interactions energy: -121.991
where: short stacking energy: -54.082
Base-Backbone interact. energy: -0.734
local terms energy: -76.272212
where:
bonds (distance) C4'-P energy: -16.985
bonds (distance) P-C4' energy: -15.747
flat angles C4'-P-C4' energy: -20.470
flat angles P-C4'-P energy: -7.685
tors. eta vs tors. theta energy: -15.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -104.489426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.489426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.489426 (E_RNA)
where:
Base-Base interactions energy: -41.835
where: short stacking energy: -42.314
Base-Backbone interact. energy: -0.058
local terms energy: -62.596498
where:
bonds (distance) C4'-P energy: -12.069
bonds (distance) P-C4' energy: -18.959
flat angles C4'-P-C4' energy: -16.572
flat angles P-C4'-P energy: -6.152
tors. eta vs tors. theta energy: -8.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -89.694455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.694455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.694455 (E_RNA)
where:
Base-Base interactions energy: -30.245
where: short stacking energy: -30.245
Base-Backbone interact. energy: -1.891
local terms energy: -57.558973
where:
bonds (distance) C4'-P energy: -13.517
bonds (distance) P-C4' energy: -18.937
flat angles C4'-P-C4' energy: -19.439
flat angles P-C4'-P energy: -5.369
tors. eta vs tors. theta energy: -0.297
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: 10
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -83.791643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.791643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.791643 (E_RNA)
where:
Base-Base interactions energy: -29.333
where: short stacking energy: -22.784
Base-Backbone interact. energy: -0.119
local terms energy: -54.339022
where:
bonds (distance) C4'-P energy: -14.970
bonds (distance) P-C4' energy: -18.339
flat angles C4'-P-C4' energy: -16.499
flat angles P-C4'-P energy: -5.353
tors. eta vs tors. theta energy: 0.822
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: 1
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -295.379631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.379631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.379631 (E_RNA)
where:
Base-Base interactions energy: -200.450
where: short stacking energy: -81.475
Base-Backbone interact. energy: -1.092
local terms energy: -93.837682
where:
bonds (distance) C4'-P energy: -17.003
bonds (distance) P-C4' energy: -19.869
flat angles C4'-P-C4' energy: -21.205
flat angles P-C4'-P energy: -13.796
tors. eta vs tors. theta energy: -21.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -283.482119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.482119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.482119 (E_RNA)
where:
Base-Base interactions energy: -198.780
where: short stacking energy: -72.542
Base-Backbone interact. energy: -0.465
local terms energy: -84.237462
where:
bonds (distance) C4'-P energy: -12.724
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -16.487
flat angles P-C4'-P energy: -15.575
tors. eta vs tors. theta energy: -22.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -280.982352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.982352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.982352 (E_RNA)
where:
Base-Base interactions energy: -190.121
where: short stacking energy: -78.477
Base-Backbone interact. energy: -0.059
local terms energy: -90.801765
where:
bonds (distance) C4'-P energy: -13.782
bonds (distance) P-C4' energy: -19.838
flat angles C4'-P-C4' energy: -18.876
flat angles P-C4'-P energy: -15.292
tors. eta vs tors. theta energy: -23.013
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -291.081879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.081879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.081879 (E_RNA)
where:
Base-Base interactions energy: -204.848
where: short stacking energy: -77.909
Base-Backbone interact. energy: -0.108
local terms energy: -86.126120
where:
bonds (distance) C4'-P energy: -16.725
bonds (distance) P-C4' energy: -16.922
flat angles C4'-P-C4' energy: -18.803
flat angles P-C4'-P energy: -11.369
tors. eta vs tors. theta energy: -22.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -271.476232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.476232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.476232 (E_RNA)
where:
Base-Base interactions energy: -182.166
where: short stacking energy: -66.453
Base-Backbone interact. energy: -1.094
local terms energy: -88.216259
where:
bonds (distance) C4'-P energy: -15.358
bonds (distance) P-C4' energy: -18.111
flat angles C4'-P-C4' energy: -20.885
flat angles P-C4'-P energy: -14.148
tors. eta vs tors. theta energy: -19.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -266.722734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.722734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.722734 (E_RNA)
where:
Base-Base interactions energy: -179.043
where: short stacking energy: -70.358
Base-Backbone interact. energy: -0.004
local terms energy: -87.676017
where:
bonds (distance) C4'-P energy: -14.096
bonds (distance) P-C4' energy: -19.603
flat angles C4'-P-C4' energy: -18.613
flat angles P-C4'-P energy: -11.721
tors. eta vs tors. theta energy: -23.643
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: 5
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -187.982513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.982513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.982513 (E_RNA)
where:
Base-Base interactions energy: -117.058
where: short stacking energy: -63.717
Base-Backbone interact. energy: -1.027
local terms energy: -69.897630
where:
bonds (distance) C4'-P energy: -15.873
bonds (distance) P-C4' energy: -10.089
flat angles C4'-P-C4' energy: -19.217
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -15.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -103.528615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.528615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.528615 (E_RNA)
where:
Base-Base interactions energy: -43.111
where: short stacking energy: -38.234
Base-Backbone interact. energy: -0.307
local terms energy: -60.110362
where:
bonds (distance) C4'-P energy: -16.315
bonds (distance) P-C4' energy: -20.187
flat angles C4'-P-C4' energy: -8.122
flat angles P-C4'-P energy: -12.609
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: 9, replica: 7
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -85.847835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.847835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.847835 (E_RNA)
where:
Base-Base interactions energy: -29.913
where: short stacking energy: -20.163
Base-Backbone interact. energy: -0.634
local terms energy: -55.300099
where:
bonds (distance) C4'-P energy: -16.054
bonds (distance) P-C4' energy: -15.056
flat angles C4'-P-C4' energy: -13.330
flat angles P-C4'-P energy: -8.263
tors. eta vs tors. theta energy: -2.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -87.228344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.228344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.228344 (E_RNA)
where:
Base-Base interactions energy: -34.865
where: short stacking energy: -26.183
Base-Backbone interact. energy: 0.018
local terms energy: -52.381222
where:
bonds (distance) C4'-P energy: -11.845
bonds (distance) P-C4' energy: -15.412
flat angles C4'-P-C4' energy: -14.270
flat angles P-C4'-P energy: -8.661
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: 1
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -286.099896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.099896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.099896 (E_RNA)
where:
Base-Base interactions energy: -199.176
where: short stacking energy: -78.137
Base-Backbone interact. energy: -0.033
local terms energy: -86.890751
where:
bonds (distance) C4'-P energy: -14.262
bonds (distance) P-C4' energy: -18.695
flat angles C4'-P-C4' energy: -19.544
flat angles P-C4'-P energy: -9.147
tors. eta vs tors. theta energy: -25.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -284.529523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.529523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.529523 (E_RNA)
where:
Base-Base interactions energy: -194.335
where: short stacking energy: -79.466
Base-Backbone interact. energy: 0.198
local terms energy: -90.391657
where:
bonds (distance) C4'-P energy: -15.766
bonds (distance) P-C4' energy: -17.658
flat angles C4'-P-C4' energy: -18.971
flat angles P-C4'-P energy: -13.561
tors. eta vs tors. theta energy: -24.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -282.681225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.681225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.681225 (E_RNA)
where:
Base-Base interactions energy: -202.524
where: short stacking energy: -77.144
Base-Backbone interact. energy: -0.432
local terms energy: -79.725204
where:
bonds (distance) C4'-P energy: -11.206
bonds (distance) P-C4' energy: -17.728
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -11.126
tors. eta vs tors. theta energy: -23.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -282.474054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.474054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.474054 (E_RNA)
where:
Base-Base interactions energy: -194.520
where: short stacking energy: -72.785
Base-Backbone interact. energy: -0.144
local terms energy: -87.810585
where:
bonds (distance) C4'-P energy: -18.494
bonds (distance) P-C4' energy: -17.420
flat angles C4'-P-C4' energy: -19.564
flat angles P-C4'-P energy: -12.129
tors. eta vs tors. theta energy: -20.204
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: 2
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -282.502040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.502040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.502040 (E_RNA)
where:
Base-Base interactions energy: -186.635
where: short stacking energy: -76.240
Base-Backbone interact. energy: -0.999
local terms energy: -94.868711
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -20.460
flat angles C4'-P-C4' energy: -19.683
flat angles P-C4'-P energy: -15.152
tors. eta vs tors. theta energy: -25.762
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: 4
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -270.418811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.418811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.418811 (E_RNA)
where:
Base-Base interactions energy: -173.816
where: short stacking energy: -67.355
Base-Backbone interact. energy: -1.382
local terms energy: -95.221170
where:
bonds (distance) C4'-P energy: -18.635
bonds (distance) P-C4' energy: -16.631
flat angles C4'-P-C4' energy: -20.870
flat angles P-C4'-P energy: -15.439
tors. eta vs tors. theta energy: -23.646
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: 5
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -204.006301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.006301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.006301 (E_RNA)
where:
Base-Base interactions energy: -127.296
where: short stacking energy: -50.600
Base-Backbone interact. energy: -0.422
local terms energy: -76.289131
where:
bonds (distance) C4'-P energy: -15.847
bonds (distance) P-C4' energy: -17.250
flat angles C4'-P-C4' energy: -15.566
flat angles P-C4'-P energy: -12.239
tors. eta vs tors. theta energy: -15.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -94.359152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.359152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.359152 (E_RNA)
where:
Base-Base interactions energy: -45.630
where: short stacking energy: -44.547
Base-Backbone interact. energy: 1.075
local terms energy: -49.804698
where:
bonds (distance) C4'-P energy: -14.391
bonds (distance) P-C4' energy: -10.867
flat angles C4'-P-C4' energy: -12.846
flat angles P-C4'-P energy: -7.253
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: 9, replica: 7
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -96.130310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.130310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.130310 (E_RNA)
where:
Base-Base interactions energy: -42.214
where: short stacking energy: -13.534
Base-Backbone interact. energy: 0.473
local terms energy: -54.389363
where:
bonds (distance) C4'-P energy: -15.416
bonds (distance) P-C4' energy: -14.860
flat angles C4'-P-C4' energy: -14.023
flat angles P-C4'-P energy: -12.243
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: 10, replica: 10
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -88.079842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.079842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.079842 (E_RNA)
where:
Base-Base interactions energy: -39.184
where: short stacking energy: -27.492
Base-Backbone interact. energy: 0.621
local terms energy: -49.517705
where:
bonds (distance) C4'-P energy: -16.170
bonds (distance) P-C4' energy: -20.045
flat angles C4'-P-C4' energy: -10.668
flat angles P-C4'-P energy: 2.900
tors. eta vs tors. theta energy: -5.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -296.169216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.169216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.169216 (E_RNA)
where:
Base-Base interactions energy: -198.247
where: short stacking energy: -86.965
Base-Backbone interact. energy: -0.022
local terms energy: -97.900220
where:
bonds (distance) C4'-P energy: -17.996
bonds (distance) P-C4' energy: -19.439
flat angles C4'-P-C4' energy: -17.102
flat angles P-C4'-P energy: -14.753
tors. eta vs tors. theta energy: -28.611
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: 8
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -292.389817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.389817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.389817 (E_RNA)
where:
Base-Base interactions energy: -206.677
where: short stacking energy: -80.323
Base-Backbone interact. energy: -0.154
local terms energy: -85.558357
where:
bonds (distance) C4'-P energy: -14.593
bonds (distance) P-C4' energy: -20.127
flat angles C4'-P-C4' energy: -20.883
flat angles P-C4'-P energy: -8.768
tors. eta vs tors. theta energy: -21.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -280.871098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.871098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.871098 (E_RNA)
where:
Base-Base interactions energy: -187.833
where: short stacking energy: -71.963
Base-Backbone interact. energy: -0.311
local terms energy: -92.727433
where:
bonds (distance) C4'-P energy: -20.646
bonds (distance) P-C4' energy: -18.945
flat angles C4'-P-C4' energy: -15.992
flat angles P-C4'-P energy: -12.617
tors. eta vs tors. theta energy: -24.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -280.545200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.545200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.545200 (E_RNA)
where:
Base-Base interactions energy: -189.950
where: short stacking energy: -80.584
Base-Backbone interact. energy: -0.302
local terms energy: -90.293215
where:
bonds (distance) C4'-P energy: -16.981
bonds (distance) P-C4' energy: -18.774
flat angles C4'-P-C4' energy: -20.147
flat angles P-C4'-P energy: -8.235
tors. eta vs tors. theta energy: -26.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -272.046994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.046994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.046994 (E_RNA)
where:
Base-Base interactions energy: -186.925
where: short stacking energy: -71.728
Base-Backbone interact. energy: -0.509
local terms energy: -84.612361
where:
bonds (distance) C4'-P energy: -16.571
bonds (distance) P-C4' energy: -11.942
flat angles C4'-P-C4' energy: -19.714
flat angles P-C4'-P energy: -13.342
tors. eta vs tors. theta energy: -23.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -268.278909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.278909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.278909 (E_RNA)
where:
Base-Base interactions energy: -183.871
where: short stacking energy: -74.866
Base-Backbone interact. energy: -0.123
local terms energy: -84.285080
where:
bonds (distance) C4'-P energy: -13.035
bonds (distance) P-C4' energy: -15.294
flat angles C4'-P-C4' energy: -19.232
flat angles P-C4'-P energy: -15.905
tors. eta vs tors. theta energy: -20.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -216.553585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.553585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.553585 (E_RNA)
where:
Base-Base interactions energy: -137.971
where: short stacking energy: -61.614
Base-Backbone interact. energy: -0.234
local terms energy: -78.348134
where:
bonds (distance) C4'-P energy: -17.491
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -15.515
flat angles P-C4'-P energy: -13.603
tors. eta vs tors. theta energy: -15.269
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: 6
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -103.272626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.272626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.272626 (E_RNA)
where:
Base-Base interactions energy: -36.018
where: short stacking energy: -36.018
Base-Backbone interact. energy: -0.203
local terms energy: -67.051788
where:
bonds (distance) C4'-P energy: -16.853
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -16.527
flat angles P-C4'-P energy: -11.359
tors. eta vs tors. theta energy: -6.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -112.410176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.410176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.410176 (E_RNA)
where:
Base-Base interactions energy: -47.525
where: short stacking energy: -16.659
Base-Backbone interact. energy: 0.183
local terms energy: -65.068555
where:
bonds (distance) C4'-P energy: -16.940
bonds (distance) P-C4' energy: -17.632
flat angles C4'-P-C4' energy: -17.294
flat angles P-C4'-P energy: -9.966
tors. eta vs tors. theta energy: -3.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -97.807775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.807775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.807775 (E_RNA)
where:
Base-Base interactions energy: -32.805
where: short stacking energy: -32.805
Base-Backbone interact. energy: -0.141
local terms energy: -64.861751
where:
bonds (distance) C4'-P energy: -14.911
bonds (distance) P-C4' energy: -20.603
flat angles C4'-P-C4' energy: -16.867
flat angles P-C4'-P energy: -2.512
tors. eta vs tors. theta energy: -9.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -288.942942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.942942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.942942 (E_RNA)
where:
Base-Base interactions energy: -201.636
where: short stacking energy: -77.067
Base-Backbone interact. energy: -0.400
local terms energy: -86.906346
where:
bonds (distance) C4'-P energy: -19.979
bonds (distance) P-C4' energy: -16.467
flat angles C4'-P-C4' energy: -14.221
flat angles P-C4'-P energy: -15.142
tors. eta vs tors. theta energy: -21.098
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: 1
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -285.317726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.317726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.317726 (E_RNA)
where:
Base-Base interactions energy: -190.769
where: short stacking energy: -74.955
Base-Backbone interact. energy: -0.848
local terms energy: -93.701235
where:
bonds (distance) C4'-P energy: -14.663
bonds (distance) P-C4' energy: -15.513
flat angles C4'-P-C4' energy: -20.532
flat angles P-C4'-P energy: -14.198
tors. eta vs tors. theta energy: -28.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -279.021359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.021359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.021359 (E_RNA)
where:
Base-Base interactions energy: -183.393
where: short stacking energy: -77.422
Base-Backbone interact. energy: -0.492
local terms energy: -95.136749
where:
bonds (distance) C4'-P energy: -15.317
bonds (distance) P-C4' energy: -17.765
flat angles C4'-P-C4' energy: -19.187
flat angles P-C4'-P energy: -15.878
tors. eta vs tors. theta energy: -26.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -279.171283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.171283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.171283 (E_RNA)
where:
Base-Base interactions energy: -186.239
where: short stacking energy: -73.923
Base-Backbone interact. energy: -0.017
local terms energy: -92.915034
where:
bonds (distance) C4'-P energy: -15.949
bonds (distance) P-C4' energy: -17.578
flat angles C4'-P-C4' energy: -21.480
flat angles P-C4'-P energy: -10.203
tors. eta vs tors. theta energy: -27.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -271.630940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.630940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.630940 (E_RNA)
where:
Base-Base interactions energy: -182.898
where: short stacking energy: -73.797
Base-Backbone interact. energy: -0.337
local terms energy: -88.395943
where:
bonds (distance) C4'-P energy: -18.932
bonds (distance) P-C4' energy: -11.917
flat angles C4'-P-C4' energy: -15.554
flat angles P-C4'-P energy: -16.486
tors. eta vs tors. theta energy: -25.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -271.974438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.974438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.974438 (E_RNA)
where:
Base-Base interactions energy: -182.150
where: short stacking energy: -76.054
Base-Backbone interact. energy: -1.132
local terms energy: -88.693391
where:
bonds (distance) C4'-P energy: -15.326
bonds (distance) P-C4' energy: -16.137
flat angles C4'-P-C4' energy: -20.547
flat angles P-C4'-P energy: -13.385
tors. eta vs tors. theta energy: -23.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -198.169445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.169445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.169445 (E_RNA)
where:
Base-Base interactions energy: -129.021
where: short stacking energy: -41.586
Base-Backbone interact. energy: -0.317
local terms energy: -68.832000
where:
bonds (distance) C4'-P energy: -15.384
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -18.851
flat angles P-C4'-P energy: -12.270
tors. eta vs tors. theta energy: -7.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -99.348083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.348083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.348083 (E_RNA)
where:
Base-Base interactions energy: -41.020
where: short stacking energy: -41.020
Base-Backbone interact. energy: -0.490
local terms energy: -57.838363
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -14.920
flat angles C4'-P-C4' energy: -11.028
flat angles P-C4'-P energy: -8.115
tors. eta vs tors. theta energy: -9.578
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: 7
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -90.593754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.593754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.593754 (E_RNA)
where:
Base-Base interactions energy: -27.712
where: short stacking energy: -29.327
Base-Backbone interact. energy: -0.165
local terms energy: -62.716931
where:
bonds (distance) C4'-P energy: -14.674
bonds (distance) P-C4' energy: -13.074
flat angles C4'-P-C4' energy: -19.976
flat angles P-C4'-P energy: -12.462
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: 10, replica: 10
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -99.033876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.033876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.033876 (E_RNA)
where:
Base-Base interactions energy: -39.379
where: short stacking energy: -25.128
Base-Backbone interact. energy: -0.453
local terms energy: -59.201770
where:
bonds (distance) C4'-P energy: -16.405
bonds (distance) P-C4' energy: -17.221
flat angles C4'-P-C4' energy: -11.754
flat angles P-C4'-P energy: -9.886
tors. eta vs tors. theta energy: -3.936
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: 1, replica: 8
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -293.384937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.384937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.384937 (E_RNA)
where:
Base-Base interactions energy: -202.824
where: short stacking energy: -78.832
Base-Backbone interact. energy: -0.100
local terms energy: -90.460829
where:
bonds (distance) C4'-P energy: -16.336
bonds (distance) P-C4' energy: -19.085
flat angles C4'-P-C4' energy: -16.542
flat angles P-C4'-P energy: -16.314
tors. eta vs tors. theta energy: -22.184
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: 407
Temperature: 0.950000
Total energy: -283.801153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.801153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.801153 (E_RNA)
where:
Base-Base interactions energy: -197.481
where: short stacking energy: -82.618
Base-Backbone interact. energy: 0.425
local terms energy: -86.744976
where:
bonds (distance) C4'-P energy: -15.110
bonds (distance) P-C4' energy: -14.080
flat angles C4'-P-C4' energy: -19.633
flat angles P-C4'-P energy: -11.895
tors. eta vs tors. theta energy: -26.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -286.854710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.854710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.854710 (E_RNA)
where:
Base-Base interactions energy: -189.590
where: short stacking energy: -84.179
Base-Backbone interact. energy: -0.095
local terms energy: -97.170103
where:
bonds (distance) C4'-P energy: -20.612
bonds (distance) P-C4' energy: -19.474
flat angles C4'-P-C4' energy: -20.584
flat angles P-C4'-P energy: -9.239
tors. eta vs tors. theta energy: -27.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -279.000225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.000225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.000225 (E_RNA)
where:
Base-Base interactions energy: -183.010
where: short stacking energy: -69.487
Base-Backbone interact. energy: -0.632
local terms energy: -95.357888
where:
bonds (distance) C4'-P energy: -16.808
bonds (distance) P-C4' energy: -18.494
flat angles C4'-P-C4' energy: -20.436
flat angles P-C4'-P energy: -13.309
tors. eta vs tors. theta energy: -26.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -268.748595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.748595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.748595 (E_RNA)
where:
Base-Base interactions energy: -182.582
where: short stacking energy: -72.238
Base-Backbone interact. energy: -0.452
local terms energy: -85.714649
where:
bonds (distance) C4'-P energy: -17.433
bonds (distance) P-C4' energy: -16.270
flat angles C4'-P-C4' energy: -16.674
flat angles P-C4'-P energy: -12.333
tors. eta vs tors. theta energy: -23.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -272.489623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.489623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.489623 (E_RNA)
where:
Base-Base interactions energy: -190.473
where: short stacking energy: -72.923
Base-Backbone interact. energy: 0.708
local terms energy: -82.724325
where:
bonds (distance) C4'-P energy: -14.903
bonds (distance) P-C4' energy: -17.587
flat angles C4'-P-C4' energy: -19.070
flat angles P-C4'-P energy: -11.510
tors. eta vs tors. theta energy: -19.654
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: 5
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -191.937222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.937222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.937222 (E_RNA)
where:
Base-Base interactions energy: -128.752
where: short stacking energy: -49.752
Base-Backbone interact. energy: -0.319
local terms energy: -62.865978
where:
bonds (distance) C4'-P energy: -9.003
bonds (distance) P-C4' energy: -17.915
flat angles C4'-P-C4' energy: -17.017
flat angles P-C4'-P energy: -10.895
tors. eta vs tors. theta energy: -8.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -100.577300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.577300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.577300 (E_RNA)
where:
Base-Base interactions energy: -41.753
where: short stacking energy: -29.037
Base-Backbone interact. energy: -0.269
local terms energy: -58.555005
where:
bonds (distance) C4'-P energy: -18.418
bonds (distance) P-C4' energy: -21.110
flat angles C4'-P-C4' energy: -14.621
flat angles P-C4'-P energy: -5.881
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: 9, replica: 6
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -87.643280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.643280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.643280 (E_RNA)
where:
Base-Base interactions energy: -28.364
where: short stacking energy: -20.106
Base-Backbone interact. energy: -0.035
local terms energy: -59.244181
where:
bonds (distance) C4'-P energy: -17.469
bonds (distance) P-C4' energy: -18.119
flat angles C4'-P-C4' energy: -11.530
flat angles P-C4'-P energy: -11.487
tors. eta vs tors. theta energy: -0.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -89.047964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.047964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.047964 (E_RNA)
where:
Base-Base interactions energy: -34.053
where: short stacking energy: -24.659
Base-Backbone interact. energy: -0.126
local terms energy: -54.868586
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -18.280
flat angles C4'-P-C4' energy: -15.202
flat angles P-C4'-P energy: -6.261
tors. eta vs tors. theta energy: 0.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -297.202155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.202155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.202155 (E_RNA)
where:
Base-Base interactions energy: -193.727
where: short stacking energy: -83.422
Base-Backbone interact. energy: -1.067
local terms energy: -102.408145
where:
bonds (distance) C4'-P energy: -20.637
bonds (distance) P-C4' energy: -20.055
flat angles C4'-P-C4' energy: -19.925
flat angles P-C4'-P energy: -14.703
tors. eta vs tors. theta energy: -27.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -278.143322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.143322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.143322 (E_RNA)
where:
Base-Base interactions energy: -190.227
where: short stacking energy: -75.429
Base-Backbone interact. energy: -0.313
local terms energy: -87.603036
where:
bonds (distance) C4'-P energy: -16.237
bonds (distance) P-C4' energy: -13.897
flat angles C4'-P-C4' energy: -21.136
flat angles P-C4'-P energy: -13.825
tors. eta vs tors. theta energy: -22.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -285.027536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.027536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.027536 (E_RNA)
where:
Base-Base interactions energy: -199.003
where: short stacking energy: -81.952
Base-Backbone interact. energy: -0.347
local terms energy: -85.677245
where:
bonds (distance) C4'-P energy: -13.190
bonds (distance) P-C4' energy: -19.640
flat angles C4'-P-C4' energy: -19.022
flat angles P-C4'-P energy: -10.713
tors. eta vs tors. theta energy: -23.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -274.941473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.941473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.941473 (E_RNA)
where:
Base-Base interactions energy: -181.337
where: short stacking energy: -78.479
Base-Backbone interact. energy: -0.402
local terms energy: -93.202386
where:
bonds (distance) C4'-P energy: -19.251
bonds (distance) P-C4' energy: -22.463
flat angles C4'-P-C4' energy: -16.935
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: -24.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -272.609007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.609007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.609007 (E_RNA)
where:
Base-Base interactions energy: -183.295
where: short stacking energy: -77.129
Base-Backbone interact. energy: -0.001
local terms energy: -89.312766
where:
bonds (distance) C4'-P energy: -19.847
bonds (distance) P-C4' energy: -15.916
flat angles C4'-P-C4' energy: -13.286
flat angles P-C4'-P energy: -15.491
tors. eta vs tors. theta energy: -24.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -263.726332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.726332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.726332 (E_RNA)
where:
Base-Base interactions energy: -175.976
where: short stacking energy: -81.680
Base-Backbone interact. energy: -0.016
local terms energy: -87.733785
where:
bonds (distance) C4'-P energy: -18.523
bonds (distance) P-C4' energy: -17.061
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -26.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -194.525441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.525441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.525441 (E_RNA)
where:
Base-Base interactions energy: -115.662
where: short stacking energy: -44.386
Base-Backbone interact. energy: -0.380
local terms energy: -78.483171
where:
bonds (distance) C4'-P energy: -13.752
bonds (distance) P-C4' energy: -20.345
flat angles C4'-P-C4' energy: -15.453
flat angles P-C4'-P energy: -15.177
tors. eta vs tors. theta energy: -13.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -94.980327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.980327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.980327 (E_RNA)
where:
Base-Base interactions energy: -30.210
where: short stacking energy: -30.210
Base-Backbone interact. energy: -0.088
local terms energy: -64.682107
where:
bonds (distance) C4'-P energy: -16.956
bonds (distance) P-C4' energy: -18.560
flat angles C4'-P-C4' energy: -18.545
flat angles P-C4'-P energy: -7.210
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: 9, replica: 6
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -91.594622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.594622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.594622 (E_RNA)
where:
Base-Base interactions energy: -28.058
where: short stacking energy: -22.756
Base-Backbone interact. energy: -0.316
local terms energy: -63.219987
where:
bonds (distance) C4'-P energy: -18.062
bonds (distance) P-C4' energy: -17.663
flat angles C4'-P-C4' energy: -16.040
flat angles P-C4'-P energy: -8.179
tors. eta vs tors. theta energy: -3.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -88.249769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.249769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.249769 (E_RNA)
where:
Base-Base interactions energy: -31.530
where: short stacking energy: -29.140
Base-Backbone interact. energy: -0.895
local terms energy: -55.824633
where:
bonds (distance) C4'-P energy: -14.196
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -17.794
flat angles P-C4'-P energy: -8.164
tors. eta vs tors. theta energy: -1.593
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: 1, replica: 2
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -294.841898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.841898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.841898 (E_RNA)
where:
Base-Base interactions energy: -202.226
where: short stacking energy: -85.292
Base-Backbone interact. energy: -0.850
local terms energy: -91.765276
where:
bonds (distance) C4'-P energy: -18.001
bonds (distance) P-C4' energy: -17.135
flat angles C4'-P-C4' energy: -15.043
flat angles P-C4'-P energy: -15.110
tors. eta vs tors. theta energy: -26.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -283.980553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.980553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.980553 (E_RNA)
where:
Base-Base interactions energy: -185.562
where: short stacking energy: -70.551
Base-Backbone interact. energy: -1.763
local terms energy: -96.656284
where:
bonds (distance) C4'-P energy: -21.113
bonds (distance) P-C4' energy: -15.042
flat angles C4'-P-C4' energy: -19.147
flat angles P-C4'-P energy: -14.653
tors. eta vs tors. theta energy: -26.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -279.765419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.765419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.765419 (E_RNA)
where:
Base-Base interactions energy: -187.695
where: short stacking energy: -80.215
Base-Backbone interact. energy: -0.853
local terms energy: -91.217648
where:
bonds (distance) C4'-P energy: -15.355
bonds (distance) P-C4' energy: -17.711
flat angles C4'-P-C4' energy: -21.816
flat angles P-C4'-P energy: -12.872
tors. eta vs tors. theta energy: -23.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -282.706413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.706413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.706413 (E_RNA)
where:
Base-Base interactions energy: -193.056
where: short stacking energy: -82.921
Base-Backbone interact. energy: -0.705
local terms energy: -88.945788
where:
bonds (distance) C4'-P energy: -13.674
bonds (distance) P-C4' energy: -15.903
flat angles C4'-P-C4' energy: -17.582
flat angles P-C4'-P energy: -15.242
tors. eta vs tors. theta energy: -26.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -273.786415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.786415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.786415 (E_RNA)
where:
Base-Base interactions energy: -177.153
where: short stacking energy: -77.747
Base-Backbone interact. energy: -2.069
local terms energy: -94.564277
where:
bonds (distance) C4'-P energy: -17.226
bonds (distance) P-C4' energy: -20.691
flat angles C4'-P-C4' energy: -20.700
flat angles P-C4'-P energy: -13.569
tors. eta vs tors. theta energy: -22.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -261.001772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.001772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.001772 (E_RNA)
where:
Base-Base interactions energy: -177.641
where: short stacking energy: -65.028
Base-Backbone interact. energy: -0.195
local terms energy: -83.165829
where:
bonds (distance) C4'-P energy: -13.276
bonds (distance) P-C4' energy: -15.690
flat angles C4'-P-C4' energy: -21.264
flat angles P-C4'-P energy: -11.607
tors. eta vs tors. theta energy: -21.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 409
Temperature: 1.200000
Total energy: -207.520545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.520545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.520545 (E_RNA)
where:
Base-Base interactions energy: -131.284
where: short stacking energy: -51.177
Base-Backbone interact. energy: -1.531
local terms energy: -74.705871
where:
bonds (distance) C4'-P energy: -11.429
bonds (distance) P-C4' energy: -18.449
flat angles C4'-P-C4' energy: -16.328
flat angles P-C4'-P energy: -11.491
tors. eta vs tors. theta energy: -17.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -109.309897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.309897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.309897 (E_RNA)
where:
Base-Base interactions energy: -44.479
where: short stacking energy: -42.504
Base-Backbone interact. energy: -0.524
local terms energy: -64.307163
where:
bonds (distance) C4'-P energy: -14.179
bonds (distance) P-C4' energy: -19.355
flat angles C4'-P-C4' energy: -15.091
flat angles P-C4'-P energy: -5.078
tors. eta vs tors. theta energy: -10.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -89.664883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.664883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.664883 (E_RNA)
where:
Base-Base interactions energy: -37.769
where: short stacking energy: -37.271
Base-Backbone interact. energy: -0.046
local terms energy: -51.849732
where:
bonds (distance) C4'-P energy: -12.295
bonds (distance) P-C4' energy: -19.491
flat angles C4'-P-C4' energy: -10.395
flat angles P-C4'-P energy: -6.351
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: 10
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -77.370589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.370589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.370589 (E_RNA)
where:
Base-Base interactions energy: -24.259
where: short stacking energy: -22.933
Base-Backbone interact. energy: -0.265
local terms energy: -52.846510
where:
bonds (distance) C4'-P energy: -14.290
bonds (distance) P-C4' energy: -12.735
flat angles C4'-P-C4' energy: -16.026
flat angles P-C4'-P energy: -7.833
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: 2
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -294.908543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.908543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.908543 (E_RNA)
where:
Base-Base interactions energy: -198.267
where: short stacking energy: -76.055
Base-Backbone interact. energy: -1.902
local terms energy: -94.739507
where:
bonds (distance) C4'-P energy: -16.774
bonds (distance) P-C4' energy: -20.056
flat angles C4'-P-C4' energy: -16.863
flat angles P-C4'-P energy: -15.024
tors. eta vs tors. theta energy: -26.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -289.947936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.947936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.947936 (E_RNA)
where:
Base-Base interactions energy: -198.836
where: short stacking energy: -83.210
Base-Backbone interact. energy: -0.433
local terms energy: -90.678204
where:
bonds (distance) C4'-P energy: -19.310
bonds (distance) P-C4' energy: -20.594
flat angles C4'-P-C4' energy: -19.568
flat angles P-C4'-P energy: -6.179
tors. eta vs tors. theta energy: -25.028
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: 3, replica: 8
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -286.955920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.955920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.955920 (E_RNA)
where:
Base-Base interactions energy: -191.130
where: short stacking energy: -79.057
Base-Backbone interact. energy: -0.004
local terms energy: -95.822073
where:
bonds (distance) C4'-P energy: -18.871
bonds (distance) P-C4' energy: -18.815
flat angles C4'-P-C4' energy: -19.489
flat angles P-C4'-P energy: -12.868
tors. eta vs tors. theta energy: -25.779
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: 9
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -279.005843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.005843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.005843 (E_RNA)
where:
Base-Base interactions energy: -192.809
where: short stacking energy: -76.408
Base-Backbone interact. energy: -1.090
local terms energy: -85.106177
where:
bonds (distance) C4'-P energy: -13.923
bonds (distance) P-C4' energy: -13.522
flat angles C4'-P-C4' energy: -21.790
flat angles P-C4'-P energy: -10.711
tors. eta vs tors. theta energy: -25.161
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: 1
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -270.024625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.024625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.024625 (E_RNA)
where:
Base-Base interactions energy: -189.961
where: short stacking energy: -77.953
Base-Backbone interact. energy: -0.803
local terms energy: -79.260636
where:
bonds (distance) C4'-P energy: -11.565
bonds (distance) P-C4' energy: -12.015
flat angles C4'-P-C4' energy: -18.348
flat angles P-C4'-P energy: -12.998
tors. eta vs tors. theta energy: -24.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 410
Temperature: 1.150000
Total energy: -263.024545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.024545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.024545 (E_RNA)
where:
Base-Base interactions energy: -173.072
where: short stacking energy: -79.468
Base-Backbone interact. energy: -0.123
local terms energy: -89.829314
where:
bonds (distance) C4'-P energy: -19.171
bonds (distance) P-C4' energy: -14.335
flat angles C4'-P-C4' energy: -19.958
flat angles P-C4'-P energy: -11.598
tors. eta vs tors. theta energy: -24.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -199.906522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.906522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.906522 (E_RNA)
where:
Base-Base interactions energy: -123.080
where: short stacking energy: -60.355
Base-Backbone interact. energy: -0.161
local terms energy: -76.665543
where:
bonds (distance) C4'-P energy: -17.323
bonds (distance) P-C4' energy: -18.853
flat angles C4'-P-C4' energy: -14.600
flat angles P-C4'-P energy: -12.766
tors. eta vs tors. theta energy: -13.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -90.488725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.488725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.488725 (E_RNA)
where:
Base-Base interactions energy: -28.336
where: short stacking energy: -25.113
Base-Backbone interact. energy: -0.218
local terms energy: -61.935150
where:
bonds (distance) C4'-P energy: -16.560
bonds (distance) P-C4' energy: -19.912
flat angles C4'-P-C4' energy: -15.247
flat angles P-C4'-P energy: -6.775
tors. eta vs tors. theta energy: -3.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -94.509088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.509088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.509088 (E_RNA)
where:
Base-Base interactions energy: -35.062
where: short stacking energy: -35.062
Base-Backbone interact. energy: -0.458
local terms energy: -58.988509
where:
bonds (distance) C4'-P energy: -15.267
bonds (distance) P-C4' energy: -16.431
flat angles C4'-P-C4' energy: -13.666
flat angles P-C4'-P energy: -5.200
tors. eta vs tors. theta energy: -8.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -83.816150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.816150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.816150 (E_RNA)
where:
Base-Base interactions energy: -25.252
where: short stacking energy: -23.941
Base-Backbone interact. energy: -0.601
local terms energy: -57.962979
where:
bonds (distance) C4'-P energy: -14.932
bonds (distance) P-C4' energy: -19.059
flat angles C4'-P-C4' energy: -17.135
flat angles P-C4'-P energy: -6.675
tors. eta vs tors. theta energy: -0.162
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: 2
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -292.173633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.173633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.173633 (E_RNA)
where:
Base-Base interactions energy: -197.615
where: short stacking energy: -71.182
Base-Backbone interact. energy: -0.282
local terms energy: -94.277008
where:
bonds (distance) C4'-P energy: -18.944
bonds (distance) P-C4' energy: -18.829
flat angles C4'-P-C4' energy: -21.167
flat angles P-C4'-P energy: -11.060
tors. eta vs tors. theta energy: -24.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -289.421201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.421201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.421201 (E_RNA)
where:
Base-Base interactions energy: -196.333
where: short stacking energy: -79.309
Base-Backbone interact. energy: -0.438
local terms energy: -92.649981
where:
bonds (distance) C4'-P energy: -18.248
bonds (distance) P-C4' energy: -18.210
flat angles C4'-P-C4' energy: -20.639
flat angles P-C4'-P energy: -13.429
tors. eta vs tors. theta energy: -22.124
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: 4
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -278.511234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.511234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.511234 (E_RNA)
where:
Base-Base interactions energy: -187.257
where: short stacking energy: -71.531
Base-Backbone interact. energy: -0.501
local terms energy: -90.753961
where:
bonds (distance) C4'-P energy: -17.826
bonds (distance) P-C4' energy: -18.163
flat angles C4'-P-C4' energy: -20.141
flat angles P-C4'-P energy: -13.869
tors. eta vs tors. theta energy: -20.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -275.201404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.201404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.201404 (E_RNA)
where:
Base-Base interactions energy: -187.445
where: short stacking energy: -71.886
Base-Backbone interact. energy: -0.181
local terms energy: -87.576157
where:
bonds (distance) C4'-P energy: -17.781
bonds (distance) P-C4' energy: -19.872
flat angles C4'-P-C4' energy: -17.434
flat angles P-C4'-P energy: -13.053
tors. eta vs tors. theta energy: -19.436
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: 411
Temperature: 1.100000
Total energy: -269.638256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.638256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.638256 (E_RNA)
where:
Base-Base interactions energy: -189.136
where: short stacking energy: -80.126
Base-Backbone interact. energy: -0.193
local terms energy: -80.309073
where:
bonds (distance) C4'-P energy: -18.658
bonds (distance) P-C4' energy: -16.337
flat angles C4'-P-C4' energy: -17.646
flat angles P-C4'-P energy: -5.879
tors. eta vs tors. theta energy: -21.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -267.414734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.414734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.414734 (E_RNA)
where:
Base-Base interactions energy: -176.024
where: short stacking energy: -75.096
Base-Backbone interact. energy: -1.006
local terms energy: -90.384524
where:
bonds (distance) C4'-P energy: -19.673
bonds (distance) P-C4' energy: -19.664
flat angles C4'-P-C4' energy: -17.327
flat angles P-C4'-P energy: -10.517
tors. eta vs tors. theta energy: -23.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -211.997863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.997863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.997863 (E_RNA)
where:
Base-Base interactions energy: -130.679
where: short stacking energy: -60.427
Base-Backbone interact. energy: -0.017
local terms energy: -81.301949
where:
bonds (distance) C4'-P energy: -18.278
bonds (distance) P-C4' energy: -15.454
flat angles C4'-P-C4' energy: -14.919
flat angles P-C4'-P energy: -13.924
tors. eta vs tors. theta energy: -18.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -98.171277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.171277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.171277 (E_RNA)
where:
Base-Base interactions energy: -34.031
where: short stacking energy: -25.002
Base-Backbone interact. energy: -0.430
local terms energy: -63.710486
where:
bonds (distance) C4'-P energy: -13.591
bonds (distance) P-C4' energy: -18.584
flat angles C4'-P-C4' energy: -16.299
flat angles P-C4'-P energy: -13.653
tors. eta vs tors. theta energy: -1.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -104.364769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.364769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.364769 (E_RNA)
where:
Base-Base interactions energy: -44.017
where: short stacking energy: -35.714
Base-Backbone interact. energy: -0.047
local terms energy: -60.300434
where:
bonds (distance) C4'-P energy: -7.853
bonds (distance) P-C4' energy: -18.154
flat angles C4'-P-C4' energy: -16.130
flat angles P-C4'-P energy: -9.079
tors. eta vs tors. theta energy: -9.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -91.089699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.089699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.089699 (E_RNA)
where:
Base-Base interactions energy: -35.414
where: short stacking energy: -22.789
Base-Backbone interact. energy: -0.280
local terms energy: -55.395067
where:
bonds (distance) C4'-P energy: -16.722
bonds (distance) P-C4' energy: -16.822
flat angles C4'-P-C4' energy: -4.046
flat angles P-C4'-P energy: -11.580
tors. eta vs tors. theta energy: -6.226
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: 1, replica: 8
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -294.207249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.207249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.207249 (E_RNA)
where:
Base-Base interactions energy: -197.804
where: short stacking energy: -78.119
Base-Backbone interact. energy: -2.494
local terms energy: -93.908592
where:
bonds (distance) C4'-P energy: -15.752
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -19.565
flat angles P-C4'-P energy: -15.117
tors. eta vs tors. theta energy: -25.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -284.475545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.475545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.475545 (E_RNA)
where:
Base-Base interactions energy: -190.206
where: short stacking energy: -77.127
Base-Backbone interact. energy: -0.464
local terms energy: -93.805453
where:
bonds (distance) C4'-P energy: -18.063
bonds (distance) P-C4' energy: -16.145
flat angles C4'-P-C4' energy: -21.547
flat angles P-C4'-P energy: -13.087
tors. eta vs tors. theta energy: -24.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -272.807632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.807632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.807632 (E_RNA)
where:
Base-Base interactions energy: -189.041
where: short stacking energy: -66.460
Base-Backbone interact. energy: -0.822
local terms energy: -82.944006
where:
bonds (distance) C4'-P energy: -16.836
bonds (distance) P-C4' energy: -21.084
flat angles C4'-P-C4' energy: -16.472
flat angles P-C4'-P energy: -7.786
tors. eta vs tors. theta energy: -20.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -275.172846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.172846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.172846 (E_RNA)
where:
Base-Base interactions energy: -188.532
where: short stacking energy: -83.818
Base-Backbone interact. energy: -0.677
local terms energy: -85.963249
where:
bonds (distance) C4'-P energy: -12.549
bonds (distance) P-C4' energy: -17.190
flat angles C4'-P-C4' energy: -17.937
flat angles P-C4'-P energy: -15.280
tors. eta vs tors. theta energy: -23.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -270.262507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.262507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.262507 (E_RNA)
where:
Base-Base interactions energy: -189.615
where: short stacking energy: -72.701
Base-Backbone interact. energy: -0.289
local terms energy: -80.358078
where:
bonds (distance) C4'-P energy: -17.834
bonds (distance) P-C4' energy: -11.411
flat angles C4'-P-C4' energy: -18.329
flat angles P-C4'-P energy: -11.940
tors. eta vs tors. theta energy: -20.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -267.034278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.034278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.034278 (E_RNA)
where:
Base-Base interactions energy: -170.154
where: short stacking energy: -73.797
Base-Backbone interact. energy: 0.404
local terms energy: -97.283894
where:
bonds (distance) C4'-P energy: -17.339
bonds (distance) P-C4' energy: -18.372
flat angles C4'-P-C4' energy: -18.835
flat angles P-C4'-P energy: -15.534
tors. eta vs tors. theta energy: -27.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -248.749809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.749809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.749809 (E_RNA)
where:
Base-Base interactions energy: -164.391
where: short stacking energy: -62.681
Base-Backbone interact. energy: -0.068
local terms energy: -84.290560
where:
bonds (distance) C4'-P energy: -16.986
bonds (distance) P-C4' energy: -18.866
flat angles C4'-P-C4' energy: -15.795
flat angles P-C4'-P energy: -12.627
tors. eta vs tors. theta energy: -20.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -96.611265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.611265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.611265 (E_RNA)
where:
Base-Base interactions energy: -38.099
where: short stacking energy: -19.810
Base-Backbone interact. energy: 1.399
local terms energy: -59.911237
where:
bonds (distance) C4'-P energy: -18.618
bonds (distance) P-C4' energy: -18.467
flat angles C4'-P-C4' energy: -18.939
flat angles P-C4'-P energy: -6.586
tors. eta vs tors. theta energy: 2.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -99.684924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.684924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.684924 (E_RNA)
where:
Base-Base interactions energy: -39.269
where: short stacking energy: -27.557
Base-Backbone interact. energy: -0.090
local terms energy: -60.325432
where:
bonds (distance) C4'-P energy: -16.994
bonds (distance) P-C4' energy: -15.251
flat angles C4'-P-C4' energy: -13.373
flat angles P-C4'-P energy: -10.429
tors. eta vs tors. theta energy: -4.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -91.685930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.685930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.685930 (E_RNA)
where:
Base-Base interactions energy: -28.690
where: short stacking energy: -25.009
Base-Backbone interact. energy: -0.047
local terms energy: -62.948818
where:
bonds (distance) C4'-P energy: -19.184
bonds (distance) P-C4' energy: -19.887
flat angles C4'-P-C4' energy: -11.684
flat angles P-C4'-P energy: -9.337
tors. eta vs tors. theta energy: -2.856
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: 8
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -297.700216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.700216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.700216 (E_RNA)
where:
Base-Base interactions energy: -204.480
where: short stacking energy: -81.513
Base-Backbone interact. energy: -1.313
local terms energy: -91.906985
where:
bonds (distance) C4'-P energy: -19.271
bonds (distance) P-C4' energy: -22.209
flat angles C4'-P-C4' energy: -14.823
flat angles P-C4'-P energy: -13.526
tors. eta vs tors. theta energy: -22.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -293.896802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.896802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.896802 (E_RNA)
where:
Base-Base interactions energy: -192.885
where: short stacking energy: -80.072
Base-Backbone interact. energy: 0.957
local terms energy: -101.968488
where:
bonds (distance) C4'-P energy: -17.631
bonds (distance) P-C4' energy: -21.293
flat angles C4'-P-C4' energy: -21.359
flat angles P-C4'-P energy: -14.368
tors. eta vs tors. theta energy: -27.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -274.464548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.464548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.464548 (E_RNA)
where:
Base-Base interactions energy: -182.480
where: short stacking energy: -72.714
Base-Backbone interact. energy: -0.138
local terms energy: -91.846069
where:
bonds (distance) C4'-P energy: -16.267
bonds (distance) P-C4' energy: -18.441
flat angles C4'-P-C4' energy: -21.043
flat angles P-C4'-P energy: -11.983
tors. eta vs tors. theta energy: -24.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -276.125007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.125007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.125007 (E_RNA)
where:
Base-Base interactions energy: -182.443
where: short stacking energy: -75.459
Base-Backbone interact. energy: -0.147
local terms energy: -93.535467
where:
bonds (distance) C4'-P energy: -14.055
bonds (distance) P-C4' energy: -19.546
flat angles C4'-P-C4' energy: -21.181
flat angles P-C4'-P energy: -14.396
tors. eta vs tors. theta energy: -24.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -281.429489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.429489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.429489 (E_RNA)
where:
Base-Base interactions energy: -193.043
where: short stacking energy: -70.650
Base-Backbone interact. energy: -0.020
local terms energy: -88.366247
where:
bonds (distance) C4'-P energy: -12.346
bonds (distance) P-C4' energy: -19.951
flat angles C4'-P-C4' energy: -20.812
flat angles P-C4'-P energy: -11.879
tors. eta vs tors. theta energy: -23.379
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: 5
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -267.229100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.229100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.229100 (E_RNA)
where:
Base-Base interactions energy: -177.763
where: short stacking energy: -79.430
Base-Backbone interact. energy: -0.009
local terms energy: -89.457087
where:
bonds (distance) C4'-P energy: -15.172
bonds (distance) P-C4' energy: -13.940
flat angles C4'-P-C4' energy: -21.442
flat angles P-C4'-P energy: -13.354
tors. eta vs tors. theta energy: -25.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -257.416778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.416778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.416778 (E_RNA)
where:
Base-Base interactions energy: -175.241
where: short stacking energy: -75.410
Base-Backbone interact. energy: -0.609
local terms energy: -81.566821
where:
bonds (distance) C4'-P energy: -14.921
bonds (distance) P-C4' energy: -15.495
flat angles C4'-P-C4' energy: -17.347
flat angles P-C4'-P energy: -10.084
tors. eta vs tors. theta energy: -23.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -92.357446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.357446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.357446 (E_RNA)
where:
Base-Base interactions energy: -35.795
where: short stacking energy: -35.584
Base-Backbone interact. energy: 0.019
local terms energy: -56.582043
where:
bonds (distance) C4'-P energy: -9.609
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -17.296
flat angles P-C4'-P energy: -4.026
tors. eta vs tors. theta energy: -8.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -103.471840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.471840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.471840 (E_RNA)
where:
Base-Base interactions energy: -33.755
where: short stacking energy: -33.755
Base-Backbone interact. energy: 1.438
local terms energy: -71.155156
where:
bonds (distance) C4'-P energy: -15.073
bonds (distance) P-C4' energy: -17.829
flat angles C4'-P-C4' energy: -17.185
flat angles P-C4'-P energy: -12.637
tors. eta vs tors. theta energy: -8.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -79.457662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.457662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.457662 (E_RNA)
where:
Base-Base interactions energy: -20.580
where: short stacking energy: -19.168
Base-Backbone interact. energy: 0.068
local terms energy: -58.946542
where:
bonds (distance) C4'-P energy: -10.933
bonds (distance) P-C4' energy: -19.913
flat angles C4'-P-C4' energy: -19.386
flat angles P-C4'-P energy: -11.257
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: 1, replica: 8
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -294.082356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.082356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.082356 (E_RNA)
where:
Base-Base interactions energy: -200.472
where: short stacking energy: -74.953
Base-Backbone interact. energy: -0.788
local terms energy: -92.822480
where:
bonds (distance) C4'-P energy: -20.078
bonds (distance) P-C4' energy: -20.035
flat angles C4'-P-C4' energy: -17.533
flat angles P-C4'-P energy: -12.270
tors. eta vs tors. theta energy: -22.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -283.989534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.989534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.989534 (E_RNA)
where:
Base-Base interactions energy: -189.162
where: short stacking energy: -73.068
Base-Backbone interact. energy: -0.897
local terms energy: -93.930954
where:
bonds (distance) C4'-P energy: -22.744
bonds (distance) P-C4' energy: -17.452
flat angles C4'-P-C4' energy: -21.294
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -21.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -276.929896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.929896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.929896 (E_RNA)
where:
Base-Base interactions energy: -191.373
where: short stacking energy: -78.704
Base-Backbone interact. energy: 0.016
local terms energy: -85.572544
where:
bonds (distance) C4'-P energy: -13.219
bonds (distance) P-C4' energy: -10.556
flat angles C4'-P-C4' energy: -22.367
flat angles P-C4'-P energy: -14.524
tors. eta vs tors. theta energy: -24.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -275.490100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.490100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.490100 (E_RNA)
where:
Base-Base interactions energy: -184.299
where: short stacking energy: -73.320
Base-Backbone interact. energy: -0.016
local terms energy: -91.175035
where:
bonds (distance) C4'-P energy: -18.820
bonds (distance) P-C4' energy: -15.330
flat angles C4'-P-C4' energy: -20.226
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -25.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -272.907732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.907732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.907732 (E_RNA)
where:
Base-Base interactions energy: -181.397
where: short stacking energy: -72.309
Base-Backbone interact. energy: -0.846
local terms energy: -90.664567
where:
bonds (distance) C4'-P energy: -19.189
bonds (distance) P-C4' energy: -20.074
flat angles C4'-P-C4' energy: -15.991
flat angles P-C4'-P energy: -12.772
tors. eta vs tors. theta energy: -22.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -260.776473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.776473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.776473 (E_RNA)
where:
Base-Base interactions energy: -171.824
where: short stacking energy: -73.379
Base-Backbone interact. energy: -0.056
local terms energy: -88.896104
where:
bonds (distance) C4'-P energy: -19.681
bonds (distance) P-C4' energy: -16.761
flat angles C4'-P-C4' energy: -20.144
flat angles P-C4'-P energy: -10.445
tors. eta vs tors. theta energy: -21.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -264.069888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.069888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.069888 (E_RNA)
where:
Base-Base interactions energy: -186.433
where: short stacking energy: -70.436
Base-Backbone interact. energy: 0.030
local terms energy: -77.666934
where:
bonds (distance) C4'-P energy: -11.856
bonds (distance) P-C4' energy: -12.603
flat angles C4'-P-C4' energy: -20.007
flat angles P-C4'-P energy: -12.207
tors. eta vs tors. theta energy: -20.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -110.372852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.372852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.372852 (E_RNA)
where:
Base-Base interactions energy: -46.474
where: short stacking energy: -40.161
Base-Backbone interact. energy: -0.072
local terms energy: -63.826881
where:
bonds (distance) C4'-P energy: -16.027
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -11.095
flat angles P-C4'-P energy: -13.458
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: 9, replica: 7
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -92.452389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.452389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.452389 (E_RNA)
where:
Base-Base interactions energy: -43.394
where: short stacking energy: -42.805
Base-Backbone interact. energy: 0.229
local terms energy: -49.287064
where:
bonds (distance) C4'-P energy: -17.074
bonds (distance) P-C4' energy: -14.802
flat angles C4'-P-C4' energy: -6.577
flat angles P-C4'-P energy: -2.097
tors. eta vs tors. theta energy: -8.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -96.132361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.132361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.132361 (E_RNA)
where:
Base-Base interactions energy: -32.059
where: short stacking energy: -27.347
Base-Backbone interact. energy: -0.179
local terms energy: -63.893917
where:
bonds (distance) C4'-P energy: -15.123
bonds (distance) P-C4' energy: -19.932
flat angles C4'-P-C4' energy: -13.486
flat angles P-C4'-P energy: -10.526
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: 1, replica: 8
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -294.525310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.525310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.525310 (E_RNA)
where:
Base-Base interactions energy: -203.321
where: short stacking energy: -83.972
Base-Backbone interact. energy: 0.045
local terms energy: -91.249853
where:
bonds (distance) C4'-P energy: -20.086
bonds (distance) P-C4' energy: -18.610
flat angles C4'-P-C4' energy: -17.758
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: -24.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -283.374582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.374582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.374582 (E_RNA)
where:
Base-Base interactions energy: -186.939
where: short stacking energy: -84.362
Base-Backbone interact. energy: -0.734
local terms energy: -95.701428
where:
bonds (distance) C4'-P energy: -17.901
bonds (distance) P-C4' energy: -18.082
flat angles C4'-P-C4' energy: -21.301
flat angles P-C4'-P energy: -12.272
tors. eta vs tors. theta energy: -26.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -283.777354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.777354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.777354 (E_RNA)
where:
Base-Base interactions energy: -192.151
where: short stacking energy: -76.469
Base-Backbone interact. energy: 2.173
local terms energy: -93.798896
where:
bonds (distance) C4'-P energy: -17.573
bonds (distance) P-C4' energy: -19.565
flat angles C4'-P-C4' energy: -21.576
flat angles P-C4'-P energy: -10.964
tors. eta vs tors. theta energy: -24.120
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: 4, replica: 5
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -275.234804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.234804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.234804 (E_RNA)
where:
Base-Base interactions energy: -186.672
where: short stacking energy: -77.367
Base-Backbone interact. energy: -1.006
local terms energy: -87.556609
where:
bonds (distance) C4'-P energy: -12.163
bonds (distance) P-C4' energy: -19.217
flat angles C4'-P-C4' energy: -17.568
flat angles P-C4'-P energy: -14.898
tors. eta vs tors. theta energy: -23.710
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: 5, replica: 3
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -266.739507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.739507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.739507 (E_RNA)
where:
Base-Base interactions energy: -178.347
where: short stacking energy: -68.300
Base-Backbone interact. energy: -0.373
local terms energy: -88.018932
where:
bonds (distance) C4'-P energy: -19.394
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -17.069
flat angles P-C4'-P energy: -12.310
tors. eta vs tors. theta energy: -22.731
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: 6, replica: 9
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -273.038584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.038584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.038584 (E_RNA)
where:
Base-Base interactions energy: -193.533
where: short stacking energy: -74.421
Base-Backbone interact. energy: 0.639
local terms energy: -80.144253
where:
bonds (distance) C4'-P energy: -13.802
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -16.561
flat angles P-C4'-P energy: -12.404
tors. eta vs tors. theta energy: -21.964
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: 1
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -250.905630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.905630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.905630 (E_RNA)
where:
Base-Base interactions energy: -173.068
where: short stacking energy: -66.488
Base-Backbone interact. energy: -0.157
local terms energy: -77.681203
where:
bonds (distance) C4'-P energy: -18.046
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -13.993
flat angles P-C4'-P energy: -12.199
tors. eta vs tors. theta energy: -17.312
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: 7
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -102.171425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.171425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.171425 (E_RNA)
where:
Base-Base interactions energy: -34.426
where: short stacking energy: -28.777
Base-Backbone interact. energy: -0.023
local terms energy: -67.722901
where:
bonds (distance) C4'-P energy: -14.494
bonds (distance) P-C4' energy: -18.558
flat angles C4'-P-C4' energy: -18.333
flat angles P-C4'-P energy: -7.267
tors. eta vs tors. theta energy: -9.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -99.133313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.133313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.133313 (E_RNA)
where:
Base-Base interactions energy: -50.797
where: short stacking energy: -35.030
Base-Backbone interact. energy: -0.239
local terms energy: -48.097619
where:
bonds (distance) C4'-P energy: -10.835
bonds (distance) P-C4' energy: -15.639
flat angles C4'-P-C4' energy: -9.855
flat angles P-C4'-P energy: -8.588
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: 10, replica: 10
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -89.050021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.050021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.050021 (E_RNA)
where:
Base-Base interactions energy: -36.697
where: short stacking energy: -33.022
Base-Backbone interact. energy: -1.655
local terms energy: -50.698775
where:
bonds (distance) C4'-P energy: -12.837
bonds (distance) P-C4' energy: -17.440
flat angles C4'-P-C4' energy: -13.675
flat angles P-C4'-P energy: -9.169
tors. eta vs tors. theta energy: 2.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -294.641471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.641471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.641471 (E_RNA)
where:
Base-Base interactions energy: -198.518
where: short stacking energy: -78.667
Base-Backbone interact. energy: -0.166
local terms energy: -95.958006
where:
bonds (distance) C4'-P energy: -18.580
bonds (distance) P-C4' energy: -18.861
flat angles C4'-P-C4' energy: -21.292
flat angles P-C4'-P energy: -14.031
tors. eta vs tors. theta energy: -23.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -288.211412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.211412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.211412 (E_RNA)
where:
Base-Base interactions energy: -196.533
where: short stacking energy: -82.583
Base-Backbone interact. energy: -0.084
local terms energy: -91.594286
where:
bonds (distance) C4'-P energy: -18.816
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -20.861
flat angles P-C4'-P energy: -12.861
tors. eta vs tors. theta energy: -22.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -283.826312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.826312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.826312 (E_RNA)
where:
Base-Base interactions energy: -185.554
where: short stacking energy: -81.910
Base-Backbone interact. energy: -0.138
local terms energy: -98.134610
where:
bonds (distance) C4'-P energy: -18.733
bonds (distance) P-C4' energy: -19.789
flat angles C4'-P-C4' energy: -21.496
flat angles P-C4'-P energy: -14.257
tors. eta vs tors. theta energy: -23.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -274.199668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.199668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.199668 (E_RNA)
where:
Base-Base interactions energy: -186.160
where: short stacking energy: -74.244
Base-Backbone interact. energy: -0.448
local terms energy: -87.591564
where:
bonds (distance) C4'-P energy: -14.195
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -20.196
flat angles P-C4'-P energy: -8.500
tors. eta vs tors. theta energy: -27.516
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: 9
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -271.768251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.768251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.768251 (E_RNA)
where:
Base-Base interactions energy: -182.367
where: short stacking energy: -75.011
Base-Backbone interact. energy: -0.082
local terms energy: -89.319158
where:
bonds (distance) C4'-P energy: -16.915
bonds (distance) P-C4' energy: -18.807
flat angles C4'-P-C4' energy: -19.096
flat angles P-C4'-P energy: -10.818
tors. eta vs tors. theta energy: -23.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -261.293173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.293173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.293173 (E_RNA)
where:
Base-Base interactions energy: -165.399
where: short stacking energy: -65.295
Base-Backbone interact. energy: -0.263
local terms energy: -95.631748
where:
bonds (distance) C4'-P energy: -14.161
bonds (distance) P-C4' energy: -18.112
flat angles C4'-P-C4' energy: -21.387
flat angles P-C4'-P energy: -17.469
tors. eta vs tors. theta energy: -24.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -254.601222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.601222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.601222 (E_RNA)
where:
Base-Base interactions energy: -175.788
where: short stacking energy: -76.548
Base-Backbone interact. energy: -0.091
local terms energy: -78.722512
where:
bonds (distance) C4'-P energy: -10.921
bonds (distance) P-C4' energy: -19.979
flat angles C4'-P-C4' energy: -16.113
flat angles P-C4'-P energy: -10.685
tors. eta vs tors. theta energy: -21.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -110.084801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.084801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.084801 (E_RNA)
where:
Base-Base interactions energy: -47.733
where: short stacking energy: -46.279
Base-Backbone interact. energy: -0.112
local terms energy: -62.239723
where:
bonds (distance) C4'-P energy: -14.510
bonds (distance) P-C4' energy: -17.002
flat angles C4'-P-C4' energy: -18.538
flat angles P-C4'-P energy: -12.166
tors. eta vs tors. theta energy: -0.023
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: 9, replica: 10
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -90.194014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.194014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.194014 (E_RNA)
where:
Base-Base interactions energy: -36.892
where: short stacking energy: -26.000
Base-Backbone interact. energy: -0.067
local terms energy: -53.234508
where:
bonds (distance) C4'-P energy: -10.803
bonds (distance) P-C4' energy: -18.014
flat angles C4'-P-C4' energy: -12.219
flat angles P-C4'-P energy: -14.120
tors. eta vs tors. theta energy: 1.922
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: 10, replica: 6
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -81.968536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.968536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.968536 (E_RNA)
where:
Base-Base interactions energy: -29.638
where: short stacking energy: -27.603
Base-Backbone interact. energy: -0.309
local terms energy: -52.021157
where:
bonds (distance) C4'-P energy: -16.087
bonds (distance) P-C4' energy: -14.755
flat angles C4'-P-C4' energy: -15.676
flat angles P-C4'-P energy: -3.761
tors. eta vs tors. theta energy: -1.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -294.352517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.352517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.352517 (E_RNA)
where:
Base-Base interactions energy: -198.607
where: short stacking energy: -87.799
Base-Backbone interact. energy: -1.013
local terms energy: -94.733273
where:
bonds (distance) C4'-P energy: -19.660
bonds (distance) P-C4' energy: -18.019
flat angles C4'-P-C4' energy: -20.065
flat angles P-C4'-P energy: -8.644
tors. eta vs tors. theta energy: -28.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -282.547294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.547294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.547294 (E_RNA)
where:
Base-Base interactions energy: -188.603
where: short stacking energy: -77.180
Base-Backbone interact. energy: -0.263
local terms energy: -93.680733
where:
bonds (distance) C4'-P energy: -17.983
bonds (distance) P-C4' energy: -18.082
flat angles C4'-P-C4' energy: -18.543
flat angles P-C4'-P energy: -17.682
tors. eta vs tors. theta energy: -21.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -277.766382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.766382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.766382 (E_RNA)
where:
Base-Base interactions energy: -189.355
where: short stacking energy: -85.847
Base-Backbone interact. energy: -0.234
local terms energy: -88.177416
where:
bonds (distance) C4'-P energy: -18.016
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -14.544
flat angles P-C4'-P energy: -17.860
tors. eta vs tors. theta energy: -23.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -273.782399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.782399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.782399 (E_RNA)
where:
Base-Base interactions energy: -189.910
where: short stacking energy: -79.101
Base-Backbone interact. energy: -0.006
local terms energy: -83.866410
where:
bonds (distance) C4'-P energy: -18.364
bonds (distance) P-C4' energy: -10.004
flat angles C4'-P-C4' energy: -13.778
flat angles P-C4'-P energy: -14.666
tors. eta vs tors. theta energy: -27.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -277.140574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.140574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.140574 (E_RNA)
where:
Base-Base interactions energy: -197.103
where: short stacking energy: -88.704
Base-Backbone interact. energy: -0.084
local terms energy: -79.954096
where:
bonds (distance) C4'-P energy: -12.391
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -15.399
flat angles P-C4'-P energy: -11.613
tors. eta vs tors. theta energy: -23.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -252.860713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.860713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.860713 (E_RNA)
where:
Base-Base interactions energy: -172.272
where: short stacking energy: -72.173
Base-Backbone interact. energy: 0.104
local terms energy: -80.692171
where:
bonds (distance) C4'-P energy: -14.171
bonds (distance) P-C4' energy: -12.110
flat angles C4'-P-C4' energy: -19.593
flat angles P-C4'-P energy: -12.076
tors. eta vs tors. theta energy: -22.743
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: 3
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -248.150635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.150635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.150635 (E_RNA)
where:
Base-Base interactions energy: -170.878
where: short stacking energy: -65.454
Base-Backbone interact. energy: -0.145
local terms energy: -77.127257
where:
bonds (distance) C4'-P energy: -15.915
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -8.683
tors. eta vs tors. theta energy: -19.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -97.030731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.030731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.030731 (E_RNA)
where:
Base-Base interactions energy: -37.508
where: short stacking energy: -26.492
Base-Backbone interact. energy: -0.183
local terms energy: -59.339230
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -15.656
flat angles P-C4'-P energy: -10.980
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: 9, replica: 7
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -87.466133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.466133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.466133 (E_RNA)
where:
Base-Base interactions energy: -32.709
where: short stacking energy: -20.105
Base-Backbone interact. energy: -0.362
local terms energy: -54.394698
where:
bonds (distance) C4'-P energy: -10.284
bonds (distance) P-C4' energy: -20.322
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -4.578
tors. eta vs tors. theta energy: -2.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -118.145190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.145190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.145190 (E_RNA)
where:
Base-Base interactions energy: -43.715
where: short stacking energy: -42.624
Base-Backbone interact. energy: -0.156
local terms energy: -74.274347
where:
bonds (distance) C4'-P energy: -17.938
bonds (distance) P-C4' energy: -18.855
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -7.535
tors. eta vs tors. theta energy: -14.529
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: 5
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -288.353556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.353556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.353556 (E_RNA)
where:
Base-Base interactions energy: -196.021
where: short stacking energy: -82.828
Base-Backbone interact. energy: -0.283
local terms energy: -92.049438
where:
bonds (distance) C4'-P energy: -15.546
bonds (distance) P-C4' energy: -20.676
flat angles C4'-P-C4' energy: -14.995
flat angles P-C4'-P energy: -13.830
tors. eta vs tors. theta energy: -27.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -289.310531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.310531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.310531 (E_RNA)
where:
Base-Base interactions energy: -196.267
where: short stacking energy: -80.378
Base-Backbone interact. energy: -0.930
local terms energy: -92.113800
where:
bonds (distance) C4'-P energy: -13.706
bonds (distance) P-C4' energy: -18.906
flat angles C4'-P-C4' energy: -21.615
flat angles P-C4'-P energy: -10.769
tors. eta vs tors. theta energy: -27.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -279.854726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.854726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.854726 (E_RNA)
where:
Base-Base interactions energy: -191.530
where: short stacking energy: -83.482
Base-Backbone interact. energy: 1.090
local terms energy: -89.415063
where:
bonds (distance) C4'-P energy: -18.431
bonds (distance) P-C4' energy: -15.875
flat angles C4'-P-C4' energy: -20.543
flat angles P-C4'-P energy: -9.401
tors. eta vs tors. theta energy: -25.165
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: 4
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -276.642607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.642607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.642607 (E_RNA)
where:
Base-Base interactions energy: -190.095
where: short stacking energy: -79.633
Base-Backbone interact. energy: -0.736
local terms energy: -85.811088
where:
bonds (distance) C4'-P energy: -16.828
bonds (distance) P-C4' energy: -14.843
flat angles C4'-P-C4' energy: -15.934
flat angles P-C4'-P energy: -12.941
tors. eta vs tors. theta energy: -25.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -268.843236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.843236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.843236 (E_RNA)
where:
Base-Base interactions energy: -187.055
where: short stacking energy: -71.900
Base-Backbone interact. energy: -0.487
local terms energy: -81.301147
where:
bonds (distance) C4'-P energy: -17.610
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -17.611
flat angles P-C4'-P energy: -9.826
tors. eta vs tors. theta energy: -20.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -242.481840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.481840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.481840 (E_RNA)
where:
Base-Base interactions energy: -159.725
where: short stacking energy: -63.466
Base-Backbone interact. energy: -0.852
local terms energy: -81.904675
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -18.187
flat angles C4'-P-C4' energy: -19.751
flat angles P-C4'-P energy: -9.911
tors. eta vs tors. theta energy: -19.639
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -272.166800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.166800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.166800 (E_RNA)
where:
Base-Base interactions energy: -185.418
where: short stacking energy: -66.814
Base-Backbone interact. energy: -0.717
local terms energy: -86.031299
where:
bonds (distance) C4'-P energy: -12.812
bonds (distance) P-C4' energy: -19.298
flat angles C4'-P-C4' energy: -18.838
flat angles P-C4'-P energy: -9.529
tors. eta vs tors. theta energy: -25.555
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: 10
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -94.114421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.114421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.114421 (E_RNA)
where:
Base-Base interactions energy: -35.204
where: short stacking energy: -28.625
Base-Backbone interact. energy: -0.329
local terms energy: -58.581175
where:
bonds (distance) C4'-P energy: -17.285
bonds (distance) P-C4' energy: -15.954
flat angles C4'-P-C4' energy: -20.892
flat angles P-C4'-P energy: -3.806
tors. eta vs tors. theta energy: -0.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -98.211535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.211535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.211535 (E_RNA)
where:
Base-Base interactions energy: -32.672
where: short stacking energy: -32.872
Base-Backbone interact. energy: 0.521
local terms energy: -66.061092
where:
bonds (distance) C4'-P energy: -18.497
bonds (distance) P-C4' energy: -18.338
flat angles C4'-P-C4' energy: -14.931
flat angles P-C4'-P energy: -12.321
tors. eta vs tors. theta energy: -1.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -86.556032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.556032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.556032 (E_RNA)
where:
Base-Base interactions energy: -35.915
where: short stacking energy: -25.689
Base-Backbone interact. energy: -1.171
local terms energy: -49.470616
where:
bonds (distance) C4'-P energy: -15.181
bonds (distance) P-C4' energy: -18.755
flat angles C4'-P-C4' energy: -8.771
flat angles P-C4'-P energy: -9.461
tors. eta vs tors. theta energy: 2.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -294.456768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.456768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.456768 (E_RNA)
where:
Base-Base interactions energy: -193.160
where: short stacking energy: -84.699
Base-Backbone interact. energy: -0.413
local terms energy: -100.884295
where:
bonds (distance) C4'-P energy: -18.003
bonds (distance) P-C4' energy: -22.405
flat angles C4'-P-C4' energy: -20.215
flat angles P-C4'-P energy: -14.334
tors. eta vs tors. theta energy: -25.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -296.401013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.401013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.401013 (E_RNA)
where:
Base-Base interactions energy: -193.293
where: short stacking energy: -74.367
Base-Backbone interact. energy: -1.249
local terms energy: -101.859019
where:
bonds (distance) C4'-P energy: -18.567
bonds (distance) P-C4' energy: -20.390
flat angles C4'-P-C4' energy: -20.944
flat angles P-C4'-P energy: -15.153
tors. eta vs tors. theta energy: -26.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -279.352380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.352380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.352380 (E_RNA)
where:
Base-Base interactions energy: -191.575
where: short stacking energy: -85.531
Base-Backbone interact. energy: -0.044
local terms energy: -87.733190
where:
bonds (distance) C4'-P energy: -11.625
bonds (distance) P-C4' energy: -13.947
flat angles C4'-P-C4' energy: -20.537
flat angles P-C4'-P energy: -17.070
tors. eta vs tors. theta energy: -24.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -280.364181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.364181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.364181 (E_RNA)
where:
Base-Base interactions energy: -194.051
where: short stacking energy: -81.360
Base-Backbone interact. energy: -1.613
local terms energy: -84.701074
where:
bonds (distance) C4'-P energy: -11.810
bonds (distance) P-C4' energy: -22.102
flat angles C4'-P-C4' energy: -15.551
flat angles P-C4'-P energy: -12.530
tors. eta vs tors. theta energy: -22.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -270.527112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.527112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.527112 (E_RNA)
where:
Base-Base interactions energy: -192.571
where: short stacking energy: -82.682
Base-Backbone interact. energy: -0.005
local terms energy: -77.951080
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -13.121
flat angles C4'-P-C4' energy: -13.377
flat angles P-C4'-P energy: -11.706
tors. eta vs tors. theta energy: -26.398
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -278.800552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.800552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.800552 (E_RNA)
where:
Base-Base interactions energy: -194.227
where: short stacking energy: -80.442
Base-Backbone interact. energy: -0.095
local terms energy: -84.478355
where:
bonds (distance) C4'-P energy: -13.048
bonds (distance) P-C4' energy: -13.785
flat angles C4'-P-C4' energy: -19.254
flat angles P-C4'-P energy: -11.045
tors. eta vs tors. theta energy: -27.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -248.313723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.313723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.313723 (E_RNA)
where:
Base-Base interactions energy: -164.709
where: short stacking energy: -63.174
Base-Backbone interact. energy: -0.160
local terms energy: -83.445227
where:
bonds (distance) C4'-P energy: -18.112
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -20.226
flat angles P-C4'-P energy: -7.015
tors. eta vs tors. theta energy: -21.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -88.229649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.229649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.229649 (E_RNA)
where:
Base-Base interactions energy: -43.000
where: short stacking energy: -37.361
Base-Backbone interact. energy: -0.155
local terms energy: -45.074480
where:
bonds (distance) C4'-P energy: -13.681
bonds (distance) P-C4' energy: -10.010
flat angles C4'-P-C4' energy: -8.200
flat angles P-C4'-P energy: -10.428
tors. eta vs tors. theta energy: -2.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -104.767612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.767612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.767612 (E_RNA)
where:
Base-Base interactions energy: -51.323
where: short stacking energy: -38.222
Base-Backbone interact. energy: -0.202
local terms energy: -53.242758
where:
bonds (distance) C4'-P energy: -13.260
bonds (distance) P-C4' energy: -19.080
flat angles C4'-P-C4' energy: -10.312
flat angles P-C4'-P energy: -10.441
tors. eta vs tors. theta energy: -0.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -89.703020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.703020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.703020 (E_RNA)
where:
Base-Base interactions energy: -25.531
where: short stacking energy: -24.016
Base-Backbone interact. energy: -0.555
local terms energy: -63.617641
where:
bonds (distance) C4'-P energy: -21.633
bonds (distance) P-C4' energy: -19.691
flat angles C4'-P-C4' energy: -12.227
flat angles P-C4'-P energy: -13.207
tors. eta vs tors. theta energy: 3.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -289.127104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.127104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.127104 (E_RNA)
where:
Base-Base interactions energy: -202.468
where: short stacking energy: -83.169
Base-Backbone interact. energy: -0.054
local terms energy: -86.605089
where:
bonds (distance) C4'-P energy: -14.419
bonds (distance) P-C4' energy: -19.691
flat angles C4'-P-C4' energy: -17.652
flat angles P-C4'-P energy: -10.949
tors. eta vs tors. theta energy: -23.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -292.299317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.299317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.299317 (E_RNA)
where:
Base-Base interactions energy: -191.553
where: short stacking energy: -85.180
Base-Backbone interact. energy: -0.029
local terms energy: -100.717354
where:
bonds (distance) C4'-P energy: -21.597
bonds (distance) P-C4' energy: -17.466
flat angles C4'-P-C4' energy: -18.474
flat angles P-C4'-P energy: -15.789
tors. eta vs tors. theta energy: -27.391
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -286.022712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.022712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.022712 (E_RNA)
where:
Base-Base interactions energy: -194.538
where: short stacking energy: -78.028
Base-Backbone interact. energy: -1.820
local terms energy: -89.664791
where:
bonds (distance) C4'-P energy: -13.314
bonds (distance) P-C4' energy: -17.278
flat angles C4'-P-C4' energy: -15.365
flat angles P-C4'-P energy: -14.896
tors. eta vs tors. theta energy: -28.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -279.685485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.685485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.685485 (E_RNA)
where:
Base-Base interactions energy: -188.637
where: short stacking energy: -79.912
Base-Backbone interact. energy: 0.570
local terms energy: -91.618432
where:
bonds (distance) C4'-P energy: -17.904
bonds (distance) P-C4' energy: -14.962
flat angles C4'-P-C4' energy: -18.281
flat angles P-C4'-P energy: -14.438
tors. eta vs tors. theta energy: -26.034
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: 5, replica: 9
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -269.770250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.770250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.770250 (E_RNA)
where:
Base-Base interactions energy: -174.264
where: short stacking energy: -72.028
Base-Backbone interact. energy: -0.261
local terms energy: -95.245049
where:
bonds (distance) C4'-P energy: -18.510
bonds (distance) P-C4' energy: -20.733
flat angles C4'-P-C4' energy: -19.264
flat angles P-C4'-P energy: -11.926
tors. eta vs tors. theta energy: -24.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -270.411830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.411830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.411830 (E_RNA)
where:
Base-Base interactions energy: -187.331
where: short stacking energy: -71.151
Base-Backbone interact. energy: 2.521
local terms energy: -85.601414
where:
bonds (distance) C4'-P energy: -15.860
bonds (distance) P-C4' energy: -16.577
flat angles C4'-P-C4' energy: -21.498
flat angles P-C4'-P energy: -12.423
tors. eta vs tors. theta energy: -19.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -246.353346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.353346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.353346 (E_RNA)
where:
Base-Base interactions energy: -166.087
where: short stacking energy: -73.508
Base-Backbone interact. energy: -0.346
local terms energy: -79.920145
where:
bonds (distance) C4'-P energy: -11.124
bonds (distance) P-C4' energy: -19.457
flat angles C4'-P-C4' energy: -18.991
flat angles P-C4'-P energy: -11.971
tors. eta vs tors. theta energy: -18.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -93.085742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.085742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.085742 (E_RNA)
where:
Base-Base interactions energy: -40.528
where: short stacking energy: -38.034
Base-Backbone interact. energy: -0.105
local terms energy: -52.453287
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -16.834
flat angles C4'-P-C4' energy: -9.237
flat angles P-C4'-P energy: -9.439
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: 9, replica: 7
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -90.124332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.124332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.124332 (E_RNA)
where:
Base-Base interactions energy: -27.488
where: short stacking energy: -27.488
Base-Backbone interact. energy: 1.116
local terms energy: -63.752113
where:
bonds (distance) C4'-P energy: -16.779
bonds (distance) P-C4' energy: -12.342
flat angles C4'-P-C4' energy: -18.771
flat angles P-C4'-P energy: -13.303
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: 10, replica: 10
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -90.663085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.663085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.663085 (E_RNA)
where:
Base-Base interactions energy: -27.918
where: short stacking energy: -27.075
Base-Backbone interact. energy: -0.396
local terms energy: -62.348891
where:
bonds (distance) C4'-P energy: -16.247
bonds (distance) P-C4' energy: -15.385
flat angles C4'-P-C4' energy: -14.926
flat angles P-C4'-P energy: -9.305
tors. eta vs tors. theta energy: -6.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -295.011626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.011626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.011626 (E_RNA)
where:
Base-Base interactions energy: -198.675
where: short stacking energy: -86.305
Base-Backbone interact. energy: -1.332
local terms energy: -95.004458
where:
bonds (distance) C4'-P energy: -14.353
bonds (distance) P-C4' energy: -20.564
flat angles C4'-P-C4' energy: -19.863
flat angles P-C4'-P energy: -14.311
tors. eta vs tors. theta energy: -25.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -296.372927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.372927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.372927 (E_RNA)
where:
Base-Base interactions energy: -198.444
where: short stacking energy: -84.241
Base-Backbone interact. energy: -1.593
local terms energy: -96.335765
where:
bonds (distance) C4'-P energy: -20.227
bonds (distance) P-C4' energy: -17.401
flat angles C4'-P-C4' energy: -19.289
flat angles P-C4'-P energy: -12.675
tors. eta vs tors. theta energy: -26.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -282.063583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.063583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.063583 (E_RNA)
where:
Base-Base interactions energy: -183.389
where: short stacking energy: -83.391
Base-Backbone interact. energy: -0.556
local terms energy: -98.119214
where:
bonds (distance) C4'-P energy: -18.183
bonds (distance) P-C4' energy: -21.973
flat angles C4'-P-C4' energy: -18.300
flat angles P-C4'-P energy: -12.848
tors. eta vs tors. theta energy: -26.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -274.204234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.204234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.204234 (E_RNA)
where:
Base-Base interactions energy: -184.006
where: short stacking energy: -80.979
Base-Backbone interact. energy: -0.001
local terms energy: -90.197666
where:
bonds (distance) C4'-P energy: -10.353
bonds (distance) P-C4' energy: -19.611
flat angles C4'-P-C4' energy: -19.052
flat angles P-C4'-P energy: -14.594
tors. eta vs tors. theta energy: -26.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -278.244792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.244792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.244792 (E_RNA)
where:
Base-Base interactions energy: -188.120
where: short stacking energy: -78.282
Base-Backbone interact. energy: -1.111
local terms energy: -89.013627
where:
bonds (distance) C4'-P energy: -18.774
bonds (distance) P-C4' energy: -18.336
flat angles C4'-P-C4' energy: -19.054
flat angles P-C4'-P energy: -8.345
tors. eta vs tors. theta energy: -24.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -262.217582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.217582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.217582 (E_RNA)
where:
Base-Base interactions energy: -179.289
where: short stacking energy: -73.060
Base-Backbone interact. energy: -0.076
local terms energy: -82.852715
where:
bonds (distance) C4'-P energy: -17.620
bonds (distance) P-C4' energy: -14.349
flat angles C4'-P-C4' energy: -16.028
flat angles P-C4'-P energy: -11.337
tors. eta vs tors. theta energy: -23.519
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: 7, replica: 1
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -249.914169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.914169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.914169 (E_RNA)
where:
Base-Base interactions energy: -168.415
where: short stacking energy: -71.855
Base-Backbone interact. energy: -1.017
local terms energy: -80.481347
where:
bonds (distance) C4'-P energy: -14.274
bonds (distance) P-C4' energy: -16.066
flat angles C4'-P-C4' energy: -18.880
flat angles P-C4'-P energy: -8.223
tors. eta vs tors. theta energy: -23.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -117.192006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.192006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.192006 (E_RNA)
where:
Base-Base interactions energy: -44.875
where: short stacking energy: -44.875
Base-Backbone interact. energy: -0.267
local terms energy: -72.050076
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -20.879
flat angles C4'-P-C4' energy: -14.525
flat angles P-C4'-P energy: -10.227
tors. eta vs tors. theta energy: -10.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -99.513680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.513680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.513680 (E_RNA)
where:
Base-Base interactions energy: -32.910
where: short stacking energy: -17.089
Base-Backbone interact. energy: -1.331
local terms energy: -65.272218
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -19.901
flat angles C4'-P-C4' energy: -15.620
flat angles P-C4'-P energy: -12.523
tors. eta vs tors. theta energy: -2.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -78.905453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.905453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.905453 (E_RNA)
where:
Base-Base interactions energy: -20.683
where: short stacking energy: -20.683
Base-Backbone interact. energy: 0.188
local terms energy: -58.410077
where:
bonds (distance) C4'-P energy: -15.122
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -16.054
flat angles P-C4'-P energy: -9.197
tors. eta vs tors. theta energy: -1.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -296.673108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.673108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.673108 (E_RNA)
where:
Base-Base interactions energy: -202.395
where: short stacking energy: -81.337
Base-Backbone interact. energy: -0.500
local terms energy: -93.778795
where:
bonds (distance) C4'-P energy: -16.853
bonds (distance) P-C4' energy: -17.667
flat angles C4'-P-C4' energy: -18.462
flat angles P-C4'-P energy: -15.308
tors. eta vs tors. theta energy: -25.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -287.408550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.408550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.408550 (E_RNA)
where:
Base-Base interactions energy: -194.662
where: short stacking energy: -75.179
Base-Backbone interact. energy: -0.694
local terms energy: -92.052415
where:
bonds (distance) C4'-P energy: -14.535
bonds (distance) P-C4' energy: -20.405
flat angles C4'-P-C4' energy: -19.690
flat angles P-C4'-P energy: -12.575
tors. eta vs tors. theta energy: -24.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -281.311937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.311937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.311937 (E_RNA)
where:
Base-Base interactions energy: -196.327
where: short stacking energy: -79.000
Base-Backbone interact. energy: -0.128
local terms energy: -84.857174
where:
bonds (distance) C4'-P energy: -13.943
bonds (distance) P-C4' energy: -19.199
flat angles C4'-P-C4' energy: -17.561
flat angles P-C4'-P energy: -14.185
tors. eta vs tors. theta energy: -19.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -276.454576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.454576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.454576 (E_RNA)
where:
Base-Base interactions energy: -182.334
where: short stacking energy: -75.267
Base-Backbone interact. energy: -0.813
local terms energy: -93.307409
where:
bonds (distance) C4'-P energy: -16.763
bonds (distance) P-C4' energy: -18.365
flat angles C4'-P-C4' energy: -20.543
flat angles P-C4'-P energy: -11.565
tors. eta vs tors. theta energy: -26.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -278.678543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.678543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.678543 (E_RNA)
where:
Base-Base interactions energy: -186.490
where: short stacking energy: -71.828
Base-Backbone interact. energy: -0.812
local terms energy: -91.376278
where:
bonds (distance) C4'-P energy: -18.133
bonds (distance) P-C4' energy: -20.651
flat angles C4'-P-C4' energy: -17.120
flat angles P-C4'-P energy: -11.940
tors. eta vs tors. theta energy: -23.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -267.818395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.818395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.818395 (E_RNA)
where:
Base-Base interactions energy: -187.552
where: short stacking energy: -79.785
Base-Backbone interact. energy: -0.516
local terms energy: -79.749823
where:
bonds (distance) C4'-P energy: -10.647
bonds (distance) P-C4' energy: -16.366
flat angles C4'-P-C4' energy: -17.243
flat angles P-C4'-P energy: -11.103
tors. eta vs tors. theta energy: -24.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -265.940170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.940170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.940170 (E_RNA)
where:
Base-Base interactions energy: -185.022
where: short stacking energy: -78.838
Base-Backbone interact. energy: -1.414
local terms energy: -79.505059
where:
bonds (distance) C4'-P energy: -11.203
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -15.906
flat angles P-C4'-P energy: -10.522
tors. eta vs tors. theta energy: -25.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -131.352467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.352467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.352467 (E_RNA)
where:
Base-Base interactions energy: -75.168
where: short stacking energy: -46.910
Base-Backbone interact. energy: -0.259
local terms energy: -55.925283
where:
bonds (distance) C4'-P energy: -11.288
bonds (distance) P-C4' energy: -14.933
flat angles C4'-P-C4' energy: -14.569
flat angles P-C4'-P energy: -11.197
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: 9, replica: 10
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -94.225033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.225033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.225033 (E_RNA)
where:
Base-Base interactions energy: -35.639
where: short stacking energy: -23.591
Base-Backbone interact. energy: -0.132
local terms energy: -58.454387
where:
bonds (distance) C4'-P energy: -13.118
bonds (distance) P-C4' energy: -18.925
flat angles C4'-P-C4' energy: -17.496
flat angles P-C4'-P energy: -8.252
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: 7
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -95.500303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.500303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.500303 (E_RNA)
where:
Base-Base interactions energy: -45.271
where: short stacking energy: -39.557
Base-Backbone interact. energy: 1.354
local terms energy: -51.583061
where:
bonds (distance) C4'-P energy: -14.647
bonds (distance) P-C4' energy: -15.337
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -3.871
tors. eta vs tors. theta energy: -1.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -291.958716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.958716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.958716 (E_RNA)
where:
Base-Base interactions energy: -198.345
where: short stacking energy: -78.528
Base-Backbone interact. energy: -1.018
local terms energy: -92.595844
where:
bonds (distance) C4'-P energy: -16.764
bonds (distance) P-C4' energy: -18.775
flat angles C4'-P-C4' energy: -17.715
flat angles P-C4'-P energy: -14.898
tors. eta vs tors. theta energy: -24.443
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: 8
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -289.893112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.893112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.893112 (E_RNA)
where:
Base-Base interactions energy: -192.613
where: short stacking energy: -81.384
Base-Backbone interact. energy: -0.581
local terms energy: -96.699910
where:
bonds (distance) C4'-P energy: -18.498
bonds (distance) P-C4' energy: -18.802
flat angles C4'-P-C4' energy: -20.080
flat angles P-C4'-P energy: -12.242
tors. eta vs tors. theta energy: -27.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -278.086270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.086270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.086270 (E_RNA)
where:
Base-Base interactions energy: -191.179
where: short stacking energy: -80.696
Base-Backbone interact. energy: -0.001
local terms energy: -86.906105
where:
bonds (distance) C4'-P energy: -21.073
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -20.900
flat angles P-C4'-P energy: -8.115
tors. eta vs tors. theta energy: -22.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -271.098506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.098506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.098506 (E_RNA)
where:
Base-Base interactions energy: -176.580
where: short stacking energy: -71.228
Base-Backbone interact. energy: -2.048
local terms energy: -92.470904
where:
bonds (distance) C4'-P energy: -19.195
bonds (distance) P-C4' energy: -21.544
flat angles C4'-P-C4' energy: -13.890
flat angles P-C4'-P energy: -15.126
tors. eta vs tors. theta energy: -22.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -280.265863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.265863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.265863 (E_RNA)
where:
Base-Base interactions energy: -188.132
where: short stacking energy: -81.278
Base-Backbone interact. energy: -2.018
local terms energy: -90.116219
where:
bonds (distance) C4'-P energy: -14.519
bonds (distance) P-C4' energy: -17.585
flat angles C4'-P-C4' energy: -19.004
flat angles P-C4'-P energy: -13.131
tors. eta vs tors. theta energy: -25.877
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: 1
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -267.572872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.572872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.572872 (E_RNA)
where:
Base-Base interactions energy: -181.666
where: short stacking energy: -74.743
Base-Backbone interact. energy: 0.373
local terms energy: -86.280128
where:
bonds (distance) C4'-P energy: -13.132
bonds (distance) P-C4' energy: -15.541
flat angles C4'-P-C4' energy: -18.516
flat angles P-C4'-P energy: -14.874
tors. eta vs tors. theta energy: -24.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -274.526167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.526167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.526167 (E_RNA)
where:
Base-Base interactions energy: -184.147
where: short stacking energy: -74.791
Base-Backbone interact. energy: -0.404
local terms energy: -89.975227
where:
bonds (distance) C4'-P energy: -18.117
bonds (distance) P-C4' energy: -20.057
flat angles C4'-P-C4' energy: -17.874
flat angles P-C4'-P energy: -8.867
tors. eta vs tors. theta energy: -25.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -103.257215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.257215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.257215 (E_RNA)
where:
Base-Base interactions energy: -45.433
where: short stacking energy: -35.490
Base-Backbone interact. energy: -0.365
local terms energy: -57.459211
where:
bonds (distance) C4'-P energy: -14.351
bonds (distance) P-C4' energy: -19.750
flat angles C4'-P-C4' energy: -16.377
flat angles P-C4'-P energy: -5.169
tors. eta vs tors. theta energy: -1.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -127.498298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.498298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.498298 (E_RNA)
where:
Base-Base interactions energy: -55.067
where: short stacking energy: -25.858
Base-Backbone interact. energy: -0.273
local terms energy: -72.158658
where:
bonds (distance) C4'-P energy: -17.181
bonds (distance) P-C4' energy: -21.091
flat angles C4'-P-C4' energy: -16.501
flat angles P-C4'-P energy: -11.863
tors. eta vs tors. theta energy: -5.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -92.938428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.938428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.938428 (E_RNA)
where:
Base-Base interactions energy: -34.023
where: short stacking energy: -24.827
Base-Backbone interact. energy: -0.086
local terms energy: -58.829377
where:
bonds (distance) C4'-P energy: -17.021
bonds (distance) P-C4' energy: -17.890
flat angles C4'-P-C4' energy: -14.384
flat angles P-C4'-P energy: -9.158
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: 1, replica: 8
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -290.173224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.173224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.173224 (E_RNA)
where:
Base-Base interactions energy: -197.831
where: short stacking energy: -88.768
Base-Backbone interact. energy: -0.035
local terms energy: -92.307437
where:
bonds (distance) C4'-P energy: -16.979
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -18.208
flat angles P-C4'-P energy: -16.197
tors. eta vs tors. theta energy: -25.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -284.824232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.824232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.824232 (E_RNA)
where:
Base-Base interactions energy: -191.259
where: short stacking energy: -74.559
Base-Backbone interact. energy: -0.007
local terms energy: -93.558588
where:
bonds (distance) C4'-P energy: -14.295
bonds (distance) P-C4' energy: -19.537
flat angles C4'-P-C4' energy: -17.511
flat angles P-C4'-P energy: -15.845
tors. eta vs tors. theta energy: -26.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -283.893444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.893444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.893444 (E_RNA)
where:
Base-Base interactions energy: -191.100
where: short stacking energy: -76.557
Base-Backbone interact. energy: -0.031
local terms energy: -92.762141
where:
bonds (distance) C4'-P energy: -18.306
bonds (distance) P-C4' energy: -18.584
flat angles C4'-P-C4' energy: -18.640
flat angles P-C4'-P energy: -11.190
tors. eta vs tors. theta energy: -26.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -266.615954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.615954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.615954 (E_RNA)
where:
Base-Base interactions energy: -181.515
where: short stacking energy: -59.572
Base-Backbone interact. energy: -0.068
local terms energy: -85.033086
where:
bonds (distance) C4'-P energy: -18.780
bonds (distance) P-C4' energy: -17.981
flat angles C4'-P-C4' energy: -17.395
flat angles P-C4'-P energy: -12.342
tors. eta vs tors. theta energy: -18.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -263.887576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.887576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.887576 (E_RNA)
where:
Base-Base interactions energy: -185.175
where: short stacking energy: -79.957
Base-Backbone interact. energy: -0.019
local terms energy: -78.693151
where:
bonds (distance) C4'-P energy: -18.701
bonds (distance) P-C4' energy: -13.118
flat angles C4'-P-C4' energy: -17.327
flat angles P-C4'-P energy: -8.487
tors. eta vs tors. theta energy: -21.061
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: 424
Temperature: 1.150000
Total energy: -269.995561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.995561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.995561 (E_RNA)
where:
Base-Base interactions energy: -191.177
where: short stacking energy: -71.316
Base-Backbone interact. energy: -0.101
local terms energy: -78.717026
where:
bonds (distance) C4'-P energy: -12.162
bonds (distance) P-C4' energy: -16.428
flat angles C4'-P-C4' energy: -17.370
flat angles P-C4'-P energy: -12.432
tors. eta vs tors. theta energy: -20.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -263.297791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.297791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.297791 (E_RNA)
where:
Base-Base interactions energy: -171.973
where: short stacking energy: -73.972
Base-Backbone interact. energy: -0.076
local terms energy: -91.249129
where:
bonds (distance) C4'-P energy: -20.613
bonds (distance) P-C4' energy: -21.866
flat angles C4'-P-C4' energy: -18.002
flat angles P-C4'-P energy: -9.799
tors. eta vs tors. theta energy: -20.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -145.271382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.271382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.271382 (E_RNA)
where:
Base-Base interactions energy: -81.758
where: short stacking energy: -39.860
Base-Backbone interact. energy: -0.433
local terms energy: -63.080570
where:
bonds (distance) C4'-P energy: -16.158
bonds (distance) P-C4' energy: -17.158
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -11.505
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: 9, replica: 7
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -96.040586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.040586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.040586 (E_RNA)
where:
Base-Base interactions energy: -23.814
where: short stacking energy: -22.316
Base-Backbone interact. energy: -0.198
local terms energy: -72.028387
where:
bonds (distance) C4'-P energy: -17.480
bonds (distance) P-C4' energy: -19.437
flat angles C4'-P-C4' energy: -18.442
flat angles P-C4'-P energy: -14.193
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: 10, replica: 6
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -120.124862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.124862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.124862 (E_RNA)
where:
Base-Base interactions energy: -68.515
where: short stacking energy: -31.333
Base-Backbone interact. energy: -0.621
local terms energy: -50.988405
where:
bonds (distance) C4'-P energy: -14.088
bonds (distance) P-C4' energy: -16.538
flat angles C4'-P-C4' energy: -13.026
flat angles P-C4'-P energy: -7.665
tors. eta vs tors. theta energy: 0.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -290.530789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.530789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.530789 (E_RNA)
where:
Base-Base interactions energy: -189.647
where: short stacking energy: -78.597
Base-Backbone interact. energy: -0.000
local terms energy: -100.883879
where:
bonds (distance) C4'-P energy: -16.684
bonds (distance) P-C4' energy: -23.165
flat angles C4'-P-C4' energy: -21.545
flat angles P-C4'-P energy: -14.053
tors. eta vs tors. theta energy: -25.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -294.771328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.771328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.771328 (E_RNA)
where:
Base-Base interactions energy: -194.036
where: short stacking energy: -83.893
Base-Backbone interact. energy: -0.538
local terms energy: -100.196984
where:
bonds (distance) C4'-P energy: -15.731
bonds (distance) P-C4' energy: -21.007
flat angles C4'-P-C4' energy: -20.651
flat angles P-C4'-P energy: -13.922
tors. eta vs tors. theta energy: -28.885
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: 5
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -280.406095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.406095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.406095 (E_RNA)
where:
Base-Base interactions energy: -186.797
where: short stacking energy: -81.463
Base-Backbone interact. energy: 0.076
local terms energy: -93.685214
where:
bonds (distance) C4'-P energy: -17.478
bonds (distance) P-C4' energy: -17.055
flat angles C4'-P-C4' energy: -17.753
flat angles P-C4'-P energy: -16.558
tors. eta vs tors. theta energy: -24.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -275.789073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.789073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.789073 (E_RNA)
where:
Base-Base interactions energy: -178.179
where: short stacking energy: -86.599
Base-Backbone interact. energy: -0.091
local terms energy: -97.519395
where:
bonds (distance) C4'-P energy: -18.617
bonds (distance) P-C4' energy: -20.742
flat angles C4'-P-C4' energy: -17.567
flat angles P-C4'-P energy: -12.821
tors. eta vs tors. theta energy: -27.773
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: 1
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -274.799677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.799677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.799677 (E_RNA)
where:
Base-Base interactions energy: -188.320
where: short stacking energy: -70.915
Base-Backbone interact. energy: -0.019
local terms energy: -86.461307
where:
bonds (distance) C4'-P energy: -16.043
bonds (distance) P-C4' energy: -16.232
flat angles C4'-P-C4' energy: -19.627
flat angles P-C4'-P energy: -11.111
tors. eta vs tors. theta energy: -23.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -253.645714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.645714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.645714 (E_RNA)
where:
Base-Base interactions energy: -172.591
where: short stacking energy: -62.889
Base-Backbone interact. energy: -0.258
local terms energy: -80.796073
where:
bonds (distance) C4'-P energy: -16.842
bonds (distance) P-C4' energy: -15.417
flat angles C4'-P-C4' energy: -17.798
flat angles P-C4'-P energy: -11.490
tors. eta vs tors. theta energy: -19.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -239.832458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.832458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.832458 (E_RNA)
where:
Base-Base interactions energy: -160.061
where: short stacking energy: -67.187
Base-Backbone interact. energy: -0.010
local terms energy: -79.760821
where:
bonds (distance) C4'-P energy: -14.704
bonds (distance) P-C4' energy: -13.537
flat angles C4'-P-C4' energy: -13.781
flat angles P-C4'-P energy: -16.641
tors. eta vs tors. theta energy: -21.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -95.991489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.991489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.991489 (E_RNA)
where:
Base-Base interactions energy: -29.050
where: short stacking energy: -27.459
Base-Backbone interact. energy: -0.277
local terms energy: -66.663874
where:
bonds (distance) C4'-P energy: -11.169
bonds (distance) P-C4' energy: -19.865
flat angles C4'-P-C4' energy: -13.487
flat angles P-C4'-P energy: -14.252
tors. eta vs tors. theta energy: -7.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -136.273669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.273669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.273669 (E_RNA)
where:
Base-Base interactions energy: -85.181
where: short stacking energy: -41.935
Base-Backbone interact. energy: -0.533
local terms energy: -50.559767
where:
bonds (distance) C4'-P energy: -11.678
bonds (distance) P-C4' energy: -19.163
flat angles C4'-P-C4' energy: -13.092
flat angles P-C4'-P energy: 1.480
tors. eta vs tors. theta energy: -8.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -83.580257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.580257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.580257 (E_RNA)
where:
Base-Base interactions energy: -31.328
where: short stacking energy: -31.328
Base-Backbone interact. energy: -0.391
local terms energy: -51.861344
where:
bonds (distance) C4'-P energy: -14.112
bonds (distance) P-C4' energy: -16.881
flat angles C4'-P-C4' energy: -12.849
flat angles P-C4'-P energy: -4.461
tors. eta vs tors. theta energy: -3.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -292.166066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.166066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.166066 (E_RNA)
where:
Base-Base interactions energy: -198.877
where: short stacking energy: -76.121
Base-Backbone interact. energy: -0.506
local terms energy: -92.782988
where:
bonds (distance) C4'-P energy: -17.627
bonds (distance) P-C4' energy: -17.620
flat angles C4'-P-C4' energy: -18.838
flat angles P-C4'-P energy: -15.400
tors. eta vs tors. theta energy: -23.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -282.518251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.518251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.518251 (E_RNA)
where:
Base-Base interactions energy: -196.137
where: short stacking energy: -76.753
Base-Backbone interact. energy: -0.630
local terms energy: -85.751868
where:
bonds (distance) C4'-P energy: -18.539
bonds (distance) P-C4' energy: -13.441
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -10.855
tors. eta vs tors. theta energy: -26.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -281.133842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.133842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.133842 (E_RNA)
where:
Base-Base interactions energy: -186.835
where: short stacking energy: -75.196
Base-Backbone interact. energy: -0.177
local terms energy: -94.122577
where:
bonds (distance) C4'-P energy: -19.983
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -19.395
flat angles P-C4'-P energy: -15.913
tors. eta vs tors. theta energy: -23.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -275.383127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.383127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.383127 (E_RNA)
where:
Base-Base interactions energy: -193.027
where: short stacking energy: -70.243
Base-Backbone interact. energy: -0.538
local terms energy: -81.818865
where:
bonds (distance) C4'-P energy: -14.551
bonds (distance) P-C4' energy: -18.223
flat angles C4'-P-C4' energy: -18.234
flat angles P-C4'-P energy: -9.063
tors. eta vs tors. theta energy: -21.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -271.919695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.919695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.919695 (E_RNA)
where:
Base-Base interactions energy: -186.401
where: short stacking energy: -70.133
Base-Backbone interact. energy: -0.108
local terms energy: -85.410661
where:
bonds (distance) C4'-P energy: -16.919
bonds (distance) P-C4' energy: -19.206
flat angles C4'-P-C4' energy: -18.093
flat angles P-C4'-P energy: -11.957
tors. eta vs tors. theta energy: -19.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -261.627459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.627459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.627459 (E_RNA)
where:
Base-Base interactions energy: -172.916
where: short stacking energy: -75.424
Base-Backbone interact. energy: -1.053
local terms energy: -87.658588
where:
bonds (distance) C4'-P energy: -14.133
bonds (distance) P-C4' energy: -18.872
flat angles C4'-P-C4' energy: -19.819
flat angles P-C4'-P energy: -11.395
tors. eta vs tors. theta energy: -23.441
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: 7, replica: 2
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -254.664301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.664301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.664301 (E_RNA)
where:
Base-Base interactions energy: -175.379
where: short stacking energy: -70.904
Base-Backbone interact. energy: -0.830
local terms energy: -78.455434
where:
bonds (distance) C4'-P energy: -16.080
bonds (distance) P-C4' energy: -16.732
flat angles C4'-P-C4' energy: -15.882
flat angles P-C4'-P energy: -10.009
tors. eta vs tors. theta energy: -19.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -102.896554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.896554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.896554 (E_RNA)
where:
Base-Base interactions energy: -39.747
where: short stacking energy: -32.339
Base-Backbone interact. energy: 0.337
local terms energy: -63.486994
where:
bonds (distance) C4'-P energy: -18.694
bonds (distance) P-C4' energy: -16.488
flat angles C4'-P-C4' energy: -7.362
flat angles P-C4'-P energy: -13.319
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: 9, replica: 10
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -102.263533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.263533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.263533 (E_RNA)
where:
Base-Base interactions energy: -54.196
where: short stacking energy: -23.874
Base-Backbone interact. energy: 2.619
local terms energy: -50.686800
where:
bonds (distance) C4'-P energy: -12.025
bonds (distance) P-C4' energy: -12.911
flat angles C4'-P-C4' energy: -14.414
flat angles P-C4'-P energy: -11.810
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: 10, replica: 6
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -87.327049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.327049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.327049 (E_RNA)
where:
Base-Base interactions energy: -32.739
where: short stacking energy: -29.028
Base-Backbone interact. energy: -0.170
local terms energy: -54.417457
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -19.042
flat angles C4'-P-C4' energy: -15.124
flat angles P-C4'-P energy: -5.823
tors. eta vs tors. theta energy: -1.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -302.107048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.107048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.107048 (E_RNA)
where:
Base-Base interactions energy: -205.954
where: short stacking energy: -86.371
Base-Backbone interact. energy: -0.798
local terms energy: -95.355115
where:
bonds (distance) C4'-P energy: -16.572
bonds (distance) P-C4' energy: -19.098
flat angles C4'-P-C4' energy: -20.059
flat angles P-C4'-P energy: -15.061
tors. eta vs tors. theta energy: -24.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -285.843394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.843394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.843394 (E_RNA)
where:
Base-Base interactions energy: -190.434
where: short stacking energy: -74.797
Base-Backbone interact. energy: -0.114
local terms energy: -95.295230
where:
bonds (distance) C4'-P energy: -14.808
bonds (distance) P-C4' energy: -19.548
flat angles C4'-P-C4' energy: -19.415
flat angles P-C4'-P energy: -15.643
tors. eta vs tors. theta energy: -25.881
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -287.148549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.148549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.148549 (E_RNA)
where:
Base-Base interactions energy: -196.270
where: short stacking energy: -81.113
Base-Backbone interact. energy: -0.441
local terms energy: -90.437427
where:
bonds (distance) C4'-P energy: -15.566
bonds (distance) P-C4' energy: -16.881
flat angles C4'-P-C4' energy: -20.240
flat angles P-C4'-P energy: -12.733
tors. eta vs tors. theta energy: -25.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -272.808923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.808923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.808923 (E_RNA)
where:
Base-Base interactions energy: -186.762
where: short stacking energy: -73.806
Base-Backbone interact. energy: -0.041
local terms energy: -86.005411
where:
bonds (distance) C4'-P energy: -14.555
bonds (distance) P-C4' energy: -17.493
flat angles C4'-P-C4' energy: -18.333
flat angles P-C4'-P energy: -15.284
tors. eta vs tors. theta energy: -20.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -268.571910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.571910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.571910 (E_RNA)
where:
Base-Base interactions energy: -192.230
where: short stacking energy: -73.748
Base-Backbone interact. energy: -0.168
local terms energy: -76.174657
where:
bonds (distance) C4'-P energy: -18.202
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -17.094
flat angles P-C4'-P energy: -9.769
tors. eta vs tors. theta energy: -17.136
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: 6, replica: 1
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -267.741312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.741312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.741312 (E_RNA)
where:
Base-Base interactions energy: -178.135
where: short stacking energy: -79.221
Base-Backbone interact. energy: -0.084
local terms energy: -89.522455
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -18.183
flat angles C4'-P-C4' energy: -19.917
flat angles P-C4'-P energy: -13.651
tors. eta vs tors. theta energy: -21.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -214.456685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.456685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.456685 (E_RNA)
where:
Base-Base interactions energy: -141.993
where: short stacking energy: -64.671
Base-Backbone interact. energy: -0.114
local terms energy: -72.349875
where:
bonds (distance) C4'-P energy: -11.530
bonds (distance) P-C4' energy: -16.550
flat angles C4'-P-C4' energy: -17.987
flat angles P-C4'-P energy: -11.651
tors. eta vs tors. theta energy: -14.633
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: 10
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -105.212594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.212594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.212594 (E_RNA)
where:
Base-Base interactions energy: -40.002
where: short stacking energy: -34.907
Base-Backbone interact. energy: -0.180
local terms energy: -65.030624
where:
bonds (distance) C4'-P energy: -16.247
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -19.339
flat angles P-C4'-P energy: -8.547
tors. eta vs tors. theta energy: -6.527
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: 427
Temperature: 1.300000
Total energy: -92.151338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.151338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.151338 (E_RNA)
where:
Base-Base interactions energy: -33.336
where: short stacking energy: -31.110
Base-Backbone interact. energy: 0.921
local terms energy: -59.736428
where:
bonds (distance) C4'-P energy: -15.342
bonds (distance) P-C4' energy: -17.540
flat angles C4'-P-C4' energy: -12.821
flat angles P-C4'-P energy: -8.045
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: 10, replica: 6
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -94.165822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.165822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.165822 (E_RNA)
where:
Base-Base interactions energy: -40.445
where: short stacking energy: -32.244
Base-Backbone interact. energy: 0.115
local terms energy: -53.836395
where:
bonds (distance) C4'-P energy: -12.549
bonds (distance) P-C4' energy: -15.551
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -5.603
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: 1, replica: 4
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -291.640424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.640424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.640424 (E_RNA)
where:
Base-Base interactions energy: -195.000
where: short stacking energy: -77.138
Base-Backbone interact. energy: -0.000
local terms energy: -96.639823
where:
bonds (distance) C4'-P energy: -20.397
bonds (distance) P-C4' energy: -17.884
flat angles C4'-P-C4' energy: -19.536
flat angles P-C4'-P energy: -14.326
tors. eta vs tors. theta energy: -24.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -289.243069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.243069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.243069 (E_RNA)
where:
Base-Base interactions energy: -194.523
where: short stacking energy: -73.429
Base-Backbone interact. energy: 0.926
local terms energy: -95.645536
where:
bonds (distance) C4'-P energy: -13.551
bonds (distance) P-C4' energy: -19.664
flat angles C4'-P-C4' energy: -21.474
flat angles P-C4'-P energy: -16.006
tors. eta vs tors. theta energy: -24.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -280.588221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.588221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.588221 (E_RNA)
where:
Base-Base interactions energy: -195.538
where: short stacking energy: -84.513
Base-Backbone interact. energy: -0.098
local terms energy: -84.952606
where:
bonds (distance) C4'-P energy: -15.653
bonds (distance) P-C4' energy: -14.142
flat angles C4'-P-C4' energy: -18.774
flat angles P-C4'-P energy: -10.047
tors. eta vs tors. theta energy: -26.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -279.307720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.307720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.307720 (E_RNA)
where:
Base-Base interactions energy: -189.641
where: short stacking energy: -81.892
Base-Backbone interact. energy: 0.776
local terms energy: -90.442964
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -15.334
flat angles C4'-P-C4' energy: -18.447
flat angles P-C4'-P energy: -17.238
tors. eta vs tors. theta energy: -26.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -273.437285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.437285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.437285 (E_RNA)
where:
Base-Base interactions energy: -183.822
where: short stacking energy: -70.763
Base-Backbone interact. energy: -0.541
local terms energy: -89.073725
where:
bonds (distance) C4'-P energy: -15.554
bonds (distance) P-C4' energy: -20.273
flat angles C4'-P-C4' energy: -19.540
flat angles P-C4'-P energy: -13.425
tors. eta vs tors. theta energy: -20.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -274.810018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.810018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.810018 (E_RNA)
where:
Base-Base interactions energy: -185.227
where: short stacking energy: -71.275
Base-Backbone interact. energy: -1.356
local terms energy: -88.227313
where:
bonds (distance) C4'-P energy: -15.566
bonds (distance) P-C4' energy: -18.787
flat angles C4'-P-C4' energy: -19.534
flat angles P-C4'-P energy: -14.537
tors. eta vs tors. theta energy: -19.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -206.121467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.121467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.121467 (E_RNA)
where:
Base-Base interactions energy: -126.603
where: short stacking energy: -60.698
Base-Backbone interact. energy: -0.116
local terms energy: -79.401942
where:
bonds (distance) C4'-P energy: -11.661
bonds (distance) P-C4' energy: -17.799
flat angles C4'-P-C4' energy: -20.844
flat angles P-C4'-P energy: -12.311
tors. eta vs tors. theta energy: -16.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -92.739641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.739641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.739641 (E_RNA)
where:
Base-Base interactions energy: -34.124
where: short stacking energy: -34.124
Base-Backbone interact. energy: -0.034
local terms energy: -58.581570
where:
bonds (distance) C4'-P energy: -8.732
bonds (distance) P-C4' energy: -19.281
flat angles C4'-P-C4' energy: -15.542
flat angles P-C4'-P energy: -7.497
tors. eta vs tors. theta energy: -7.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -89.259533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.259533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.259533 (E_RNA)
where:
Base-Base interactions energy: -35.018
where: short stacking energy: -35.018
Base-Backbone interact. energy: -0.122
local terms energy: -54.119025
where:
bonds (distance) C4'-P energy: -15.070
bonds (distance) P-C4' energy: -15.358
flat angles C4'-P-C4' energy: -12.934
flat angles P-C4'-P energy: -8.035
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: 10, replica: 6
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -101.953185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.953185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.953185 (E_RNA)
where:
Base-Base interactions energy: -42.687
where: short stacking energy: -39.795
Base-Backbone interact. energy: -0.300
local terms energy: -58.966112
where:
bonds (distance) C4'-P energy: -15.627
bonds (distance) P-C4' energy: -18.368
flat angles C4'-P-C4' energy: -14.552
flat angles P-C4'-P energy: -7.523
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: 1, replica: 4
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -292.474170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.474170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.474170 (E_RNA)
where:
Base-Base interactions energy: -197.170
where: short stacking energy: -77.972
Base-Backbone interact. energy: -0.004
local terms energy: -95.300691
where:
bonds (distance) C4'-P energy: -18.007
bonds (distance) P-C4' energy: -19.869
flat angles C4'-P-C4' energy: -18.849
flat angles P-C4'-P energy: -12.749
tors. eta vs tors. theta energy: -25.826
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: 429
Temperature: 0.950000
Total energy: -290.830245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.830245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.830245 (E_RNA)
where:
Base-Base interactions energy: -194.272
where: short stacking energy: -74.136
Base-Backbone interact. energy: -0.354
local terms energy: -96.204560
where:
bonds (distance) C4'-P energy: -18.860
bonds (distance) P-C4' energy: -19.168
flat angles C4'-P-C4' energy: -21.339
flat angles P-C4'-P energy: -14.790
tors. eta vs tors. theta energy: -22.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -282.417183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.417183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.417183 (E_RNA)
where:
Base-Base interactions energy: -193.813
where: short stacking energy: -79.306
Base-Backbone interact. energy: -0.186
local terms energy: -88.418247
where:
bonds (distance) C4'-P energy: -16.076
bonds (distance) P-C4' energy: -17.945
flat angles C4'-P-C4' energy: -17.784
flat angles P-C4'-P energy: -14.190
tors. eta vs tors. theta energy: -22.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -285.273315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.273315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.273315 (E_RNA)
where:
Base-Base interactions energy: -194.619
where: short stacking energy: -76.030
Base-Backbone interact. energy: -1.008
local terms energy: -89.646373
where:
bonds (distance) C4'-P energy: -14.494
bonds (distance) P-C4' energy: -18.415
flat angles C4'-P-C4' energy: -20.605
flat angles P-C4'-P energy: -14.607
tors. eta vs tors. theta energy: -21.525
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: 8
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -270.316134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.316134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.316134 (E_RNA)
where:
Base-Base interactions energy: -178.965
where: short stacking energy: -72.969
Base-Backbone interact. energy: -0.321
local terms energy: -91.030389
where:
bonds (distance) C4'-P energy: -20.711
bonds (distance) P-C4' energy: -15.432
flat angles C4'-P-C4' energy: -19.033
flat angles P-C4'-P energy: -11.108
tors. eta vs tors. theta energy: -24.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -269.423974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.423974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.423974 (E_RNA)
where:
Base-Base interactions energy: -187.157
where: short stacking energy: -70.999
Base-Backbone interact. energy: -0.330
local terms energy: -81.936945
where:
bonds (distance) C4'-P energy: -14.809
bonds (distance) P-C4' energy: -17.996
flat angles C4'-P-C4' energy: -19.251
flat angles P-C4'-P energy: -7.675
tors. eta vs tors. theta energy: -22.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -211.039984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.039984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.039984 (E_RNA)
where:
Base-Base interactions energy: -145.458
where: short stacking energy: -56.744
Base-Backbone interact. energy: -0.823
local terms energy: -64.759428
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -11.741
flat angles C4'-P-C4' energy: -17.499
flat angles P-C4'-P energy: -4.443
tors. eta vs tors. theta energy: -18.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -104.209047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.209047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.209047 (E_RNA)
where:
Base-Base interactions energy: -43.514
where: short stacking energy: -30.298
Base-Backbone interact. energy: -0.096
local terms energy: -60.598898
where:
bonds (distance) C4'-P energy: -16.092
bonds (distance) P-C4' energy: -16.470
flat angles C4'-P-C4' energy: -16.455
flat angles P-C4'-P energy: -8.009
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: 7
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -102.645221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.645221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.645221 (E_RNA)
where:
Base-Base interactions energy: -43.896
where: short stacking energy: -30.642
Base-Backbone interact. energy: -0.215
local terms energy: -58.534121
where:
bonds (distance) C4'-P energy: -13.570
bonds (distance) P-C4' energy: -17.261
flat angles C4'-P-C4' energy: -15.417
flat angles P-C4'-P energy: -5.628
tors. eta vs tors. theta energy: -6.658
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -87.254031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.254031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.254031 (E_RNA)
where:
Base-Base interactions energy: -29.185
where: short stacking energy: -24.738
Base-Backbone interact. energy: -0.086
local terms energy: -57.982941
where:
bonds (distance) C4'-P energy: -15.061
bonds (distance) P-C4' energy: -19.616
flat angles C4'-P-C4' energy: -13.942
flat angles P-C4'-P energy: -8.287
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: 9
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -288.665870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.665870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.665870 (E_RNA)
where:
Base-Base interactions energy: -197.999
where: short stacking energy: -79.939
Base-Backbone interact. energy: -0.053
local terms energy: -90.613147
where:
bonds (distance) C4'-P energy: -16.966
bonds (distance) P-C4' energy: -17.643
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -14.645
tors. eta vs tors. theta energy: -24.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -293.455757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.455757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.455757 (E_RNA)
where:
Base-Base interactions energy: -203.685
where: short stacking energy: -80.004
Base-Backbone interact. energy: -0.401
local terms energy: -89.369914
where:
bonds (distance) C4'-P energy: -14.787
bonds (distance) P-C4' energy: -15.914
flat angles C4'-P-C4' energy: -21.073
flat angles P-C4'-P energy: -15.499
tors. eta vs tors. theta energy: -22.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -280.317653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.317653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.317653 (E_RNA)
where:
Base-Base interactions energy: -187.591
where: short stacking energy: -81.132
Base-Backbone interact. energy: -0.123
local terms energy: -92.603337
where:
bonds (distance) C4'-P energy: -15.334
bonds (distance) P-C4' energy: -15.620
flat angles C4'-P-C4' energy: -19.567
flat angles P-C4'-P energy: -15.629
tors. eta vs tors. theta energy: -26.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -283.228198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.228198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.228198 (E_RNA)
where:
Base-Base interactions energy: -192.100
where: short stacking energy: -79.602
Base-Backbone interact. energy: -1.485
local terms energy: -89.643161
where:
bonds (distance) C4'-P energy: -20.335
bonds (distance) P-C4' energy: -21.635
flat angles C4'-P-C4' energy: -18.971
flat angles P-C4'-P energy: -6.768
tors. eta vs tors. theta energy: -21.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -272.396781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.396781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.396781 (E_RNA)
where:
Base-Base interactions energy: -184.593
where: short stacking energy: -72.734
Base-Backbone interact. energy: -0.045
local terms energy: -87.758775
where:
bonds (distance) C4'-P energy: -12.696
bonds (distance) P-C4' energy: -18.246
flat angles C4'-P-C4' energy: -18.040
flat angles P-C4'-P energy: -16.531
tors. eta vs tors. theta energy: -22.247
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: 8
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -272.993574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.993574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.993574 (E_RNA)
where:
Base-Base interactions energy: -188.578
where: short stacking energy: -79.474
Base-Backbone interact. energy: -0.612
local terms energy: -83.802867
where:
bonds (distance) C4'-P energy: -8.250
bonds (distance) P-C4' energy: -18.793
flat angles C4'-P-C4' energy: -19.168
flat angles P-C4'-P energy: -15.338
tors. eta vs tors. theta energy: -22.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -209.678302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.678302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.678302 (E_RNA)
where:
Base-Base interactions energy: -136.168
where: short stacking energy: -51.232
Base-Backbone interact. energy: -0.674
local terms energy: -72.836265
where:
bonds (distance) C4'-P energy: -16.356
bonds (distance) P-C4' energy: -19.544
flat angles C4'-P-C4' energy: -16.543
flat angles P-C4'-P energy: -8.985
tors. eta vs tors. theta energy: -11.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 430
Temperature: 1.250000
Total energy: -101.246780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.246780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.246780 (E_RNA)
where:
Base-Base interactions energy: -36.233
where: short stacking energy: -21.273
Base-Backbone interact. energy: 0.584
local terms energy: -65.597530
where:
bonds (distance) C4'-P energy: -19.553
bonds (distance) P-C4' energy: -18.421
flat angles C4'-P-C4' energy: -12.505
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: -5.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -95.362397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.362397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.362397 (E_RNA)
where:
Base-Base interactions energy: -34.443
where: short stacking energy: -34.443
Base-Backbone interact. energy: 0.998
local terms energy: -61.917320
where:
bonds (distance) C4'-P energy: -13.437
bonds (distance) P-C4' energy: -19.926
flat angles C4'-P-C4' energy: -13.061
flat angles P-C4'-P energy: -12.556
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: 6
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -83.866877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.866877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.866877 (E_RNA)
where:
Base-Base interactions energy: -34.109
where: short stacking energy: -19.845
Base-Backbone interact. energy: 0.072
local terms energy: -49.830722
where:
bonds (distance) C4'-P energy: -14.941
bonds (distance) P-C4' energy: -15.967
flat angles C4'-P-C4' energy: -14.117
flat angles P-C4'-P energy: -8.623
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: 1, replica: 9
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -288.600271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.600271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.600271 (E_RNA)
where:
Base-Base interactions energy: -190.435
where: short stacking energy: -74.440
Base-Backbone interact. energy: -0.753
local terms energy: -97.411414
where:
bonds (distance) C4'-P energy: -16.477
bonds (distance) P-C4' energy: -19.322
flat angles C4'-P-C4' energy: -21.386
flat angles P-C4'-P energy: -16.345
tors. eta vs tors. theta energy: -23.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -298.050182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.050182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.050182 (E_RNA)
where:
Base-Base interactions energy: -204.760
where: short stacking energy: -89.342
Base-Backbone interact. energy: -1.538
local terms energy: -91.752987
where:
bonds (distance) C4'-P energy: -11.306
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -21.707
flat angles P-C4'-P energy: -15.407
tors. eta vs tors. theta energy: -28.087
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: 4
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -286.095201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.095201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.095201 (E_RNA)
where:
Base-Base interactions energy: -191.094
where: short stacking energy: -82.403
Base-Backbone interact. energy: -0.245
local terms energy: -94.755533
where:
bonds (distance) C4'-P energy: -19.491
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -16.615
flat angles P-C4'-P energy: -16.479
tors. eta vs tors. theta energy: -23.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -279.102673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.102673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.102673 (E_RNA)
where:
Base-Base interactions energy: -180.133
where: short stacking energy: -74.993
Base-Backbone interact. energy: -0.119
local terms energy: -98.850978
where:
bonds (distance) C4'-P energy: -18.170
bonds (distance) P-C4' energy: -20.204
flat angles C4'-P-C4' energy: -19.695
flat angles P-C4'-P energy: -13.689
tors. eta vs tors. theta energy: -27.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -266.868883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.868883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.868883 (E_RNA)
where:
Base-Base interactions energy: -176.850
where: short stacking energy: -68.434
Base-Backbone interact. energy: -0.087
local terms energy: -89.931840
where:
bonds (distance) C4'-P energy: -19.197
bonds (distance) P-C4' energy: -19.733
flat angles C4'-P-C4' energy: -16.017
flat angles P-C4'-P energy: -14.828
tors. eta vs tors. theta energy: -20.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -266.418440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.418440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.418440 (E_RNA)
where:
Base-Base interactions energy: -187.535
where: short stacking energy: -72.535
Base-Backbone interact. energy: -0.056
local terms energy: -78.827194
where:
bonds (distance) C4'-P energy: -11.432
bonds (distance) P-C4' energy: -11.782
flat angles C4'-P-C4' energy: -17.462
flat angles P-C4'-P energy: -13.862
tors. eta vs tors. theta energy: -24.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -194.784058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.784058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.784058 (E_RNA)
where:
Base-Base interactions energy: -130.032
where: short stacking energy: -46.919
Base-Backbone interact. energy: -0.623
local terms energy: -64.128779
where:
bonds (distance) C4'-P energy: -18.684
bonds (distance) P-C4' energy: -15.493
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -11.088
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: 8, replica: 7
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -93.716196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.716196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.716196 (E_RNA)
where:
Base-Base interactions energy: -41.823
where: short stacking energy: -24.212
Base-Backbone interact. energy: -0.904
local terms energy: -50.989472
where:
bonds (distance) C4'-P energy: -14.767
bonds (distance) P-C4' energy: -13.588
flat angles C4'-P-C4' energy: -12.889
flat angles P-C4'-P energy: -13.503
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: 9, replica: 10
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -92.484242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.484242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.484242 (E_RNA)
where:
Base-Base interactions energy: -31.630
where: short stacking energy: -22.959
Base-Backbone interact. energy: -0.201
local terms energy: -60.653285
where:
bonds (distance) C4'-P energy: -19.384
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -14.212
tors. eta vs tors. theta energy: 2.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -94.847556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.847556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.847556 (E_RNA)
where:
Base-Base interactions energy: -33.357
where: short stacking energy: -32.820
Base-Backbone interact. energy: -0.148
local terms energy: -61.342361
where:
bonds (distance) C4'-P energy: -12.503
bonds (distance) P-C4' energy: -11.997
flat angles C4'-P-C4' energy: -20.083
flat angles P-C4'-P energy: -7.187
tors. eta vs tors. theta energy: -9.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -293.078726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.078726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.078726 (E_RNA)
where:
Base-Base interactions energy: -195.780
where: short stacking energy: -83.041
Base-Backbone interact. energy: -0.463
local terms energy: -96.835452
where:
bonds (distance) C4'-P energy: -21.400
bonds (distance) P-C4' energy: -19.488
flat angles C4'-P-C4' energy: -19.212
flat angles P-C4'-P energy: -11.507
tors. eta vs tors. theta energy: -25.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -284.154699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.154699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.154699 (E_RNA)
where:
Base-Base interactions energy: -188.458
where: short stacking energy: -76.818
Base-Backbone interact. energy: 0.665
local terms energy: -96.361719
where:
bonds (distance) C4'-P energy: -15.197
bonds (distance) P-C4' energy: -19.449
flat angles C4'-P-C4' energy: -22.513
flat angles P-C4'-P energy: -13.305
tors. eta vs tors. theta energy: -25.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -274.732538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.732538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.732538 (E_RNA)
where:
Base-Base interactions energy: -186.460
where: short stacking energy: -80.585
Base-Backbone interact. energy: -0.135
local terms energy: -88.137054
where:
bonds (distance) C4'-P energy: -15.248
bonds (distance) P-C4' energy: -20.289
flat angles C4'-P-C4' energy: -19.981
flat angles P-C4'-P energy: -7.855
tors. eta vs tors. theta energy: -24.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -279.342662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.342662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.342662 (E_RNA)
where:
Base-Base interactions energy: -186.845
where: short stacking energy: -82.107
Base-Backbone interact. energy: -0.394
local terms energy: -92.103661
where:
bonds (distance) C4'-P energy: -18.291
bonds (distance) P-C4' energy: -15.475
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -15.806
tors. eta vs tors. theta energy: -26.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -280.383358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.383358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.383358 (E_RNA)
where:
Base-Base interactions energy: -193.015
where: short stacking energy: -77.597
Base-Backbone interact. energy: -0.107
local terms energy: -87.261151
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -20.975
flat angles C4'-P-C4' energy: -18.268
flat angles P-C4'-P energy: -10.576
tors. eta vs tors. theta energy: -24.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -269.379518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.379518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.379518 (E_RNA)
where:
Base-Base interactions energy: -177.935
where: short stacking energy: -69.154
Base-Backbone interact. energy: -0.172
local terms energy: -91.272503
where:
bonds (distance) C4'-P energy: -17.745
bonds (distance) P-C4' energy: -19.013
flat angles C4'-P-C4' energy: -17.735
flat angles P-C4'-P energy: -15.205
tors. eta vs tors. theta energy: -21.574
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: 2
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -196.087957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.087957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.087957 (E_RNA)
where:
Base-Base interactions energy: -119.044
where: short stacking energy: -57.379
Base-Backbone interact. energy: 3.600
local terms energy: -80.643798
where:
bonds (distance) C4'-P energy: -16.472
bonds (distance) P-C4' energy: -19.112
flat angles C4'-P-C4' energy: -19.555
flat angles P-C4'-P energy: -12.357
tors. eta vs tors. theta energy: -13.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -98.287451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.287451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.287451 (E_RNA)
where:
Base-Base interactions energy: -43.023
where: short stacking energy: -29.754
Base-Backbone interact. energy: -1.151
local terms energy: -54.113122
where:
bonds (distance) C4'-P energy: -13.434
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -11.707
flat angles P-C4'-P energy: -10.177
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: 6
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -99.590397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.590397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.590397 (E_RNA)
where:
Base-Base interactions energy: -42.735
where: short stacking energy: -34.480
Base-Backbone interact. energy: 1.805
local terms energy: -58.659725
where:
bonds (distance) C4'-P energy: -16.080
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -16.168
flat angles P-C4'-P energy: -9.995
tors. eta vs tors. theta energy: 1.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -92.324059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.324059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.324059 (E_RNA)
where:
Base-Base interactions energy: -35.154
where: short stacking energy: -27.970
Base-Backbone interact. energy: -0.417
local terms energy: -56.753494
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -17.316
flat angles C4'-P-C4' energy: -14.919
flat angles P-C4'-P energy: -8.266
tors. eta vs tors. theta energy: -2.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -291.017351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.017351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.017351 (E_RNA)
where:
Base-Base interactions energy: -195.340
where: short stacking energy: -80.244
Base-Backbone interact. energy: -0.473
local terms energy: -95.204131
where:
bonds (distance) C4'-P energy: -20.485
bonds (distance) P-C4' energy: -20.855
flat angles C4'-P-C4' energy: -19.567
flat angles P-C4'-P energy: -9.641
tors. eta vs tors. theta energy: -24.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -291.248845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.248845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.248845 (E_RNA)
where:
Base-Base interactions energy: -197.998
where: short stacking energy: -83.393
Base-Backbone interact. energy: -1.571
local terms energy: -91.680126
where:
bonds (distance) C4'-P energy: -16.092
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -16.539
flat angles P-C4'-P energy: -14.931
tors. eta vs tors. theta energy: -26.807
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: 9
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -282.620840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.620840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.620840 (E_RNA)
where:
Base-Base interactions energy: -196.589
where: short stacking energy: -80.704
Base-Backbone interact. energy: -0.027
local terms energy: -86.004794
where:
bonds (distance) C4'-P energy: -19.665
bonds (distance) P-C4' energy: -22.169
flat angles C4'-P-C4' energy: -17.130
flat angles P-C4'-P energy: -7.596
tors. eta vs tors. theta energy: -19.445
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: 433
Temperature: 1.050000
Total energy: -271.614703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.614703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.614703 (E_RNA)
where:
Base-Base interactions energy: -185.687
where: short stacking energy: -68.515
Base-Backbone interact. energy: 2.053
local terms energy: -87.981066
where:
bonds (distance) C4'-P energy: -18.158
bonds (distance) P-C4' energy: -20.393
flat angles C4'-P-C4' energy: -14.248
flat angles P-C4'-P energy: -13.495
tors. eta vs tors. theta energy: -21.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -261.719047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.719047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.719047 (E_RNA)
where:
Base-Base interactions energy: -177.650
where: short stacking energy: -66.081
Base-Backbone interact. energy: -0.445
local terms energy: -83.624216
where:
bonds (distance) C4'-P energy: -12.786
bonds (distance) P-C4' energy: -16.430
flat angles C4'-P-C4' energy: -19.675
flat angles P-C4'-P energy: -14.928
tors. eta vs tors. theta energy: -19.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -267.723940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.723940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.723940 (E_RNA)
where:
Base-Base interactions energy: -178.752
where: short stacking energy: -75.112
Base-Backbone interact. energy: -0.081
local terms energy: -88.891036
where:
bonds (distance) C4'-P energy: -15.346
bonds (distance) P-C4' energy: -18.471
flat angles C4'-P-C4' energy: -20.676
flat angles P-C4'-P energy: -12.066
tors. eta vs tors. theta energy: -22.332
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: 2
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -225.724163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.724163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.724163 (E_RNA)
where:
Base-Base interactions energy: -150.461
where: short stacking energy: -62.351
Base-Backbone interact. energy: -0.602
local terms energy: -74.660892
where:
bonds (distance) C4'-P energy: -16.584
bonds (distance) P-C4' energy: -19.398
flat angles C4'-P-C4' energy: -11.356
flat angles P-C4'-P energy: -10.231
tors. eta vs tors. theta energy: -17.092
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: 433
Temperature: 1.250000
Total energy: -95.749582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.749582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.749582 (E_RNA)
where:
Base-Base interactions energy: -31.080
where: short stacking energy: -22.211
Base-Backbone interact. energy: -0.434
local terms energy: -64.234812
where:
bonds (distance) C4'-P energy: -12.648
bonds (distance) P-C4' energy: -20.256
flat angles C4'-P-C4' energy: -18.080
flat angles P-C4'-P energy: -9.424
tors. eta vs tors. theta energy: -3.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -168.880619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.880619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.880619 (E_RNA)
where:
Base-Base interactions energy: -104.158
where: short stacking energy: -46.255
Base-Backbone interact. energy: -1.174
local terms energy: -63.548840
where:
bonds (distance) C4'-P energy: -11.558
bonds (distance) P-C4' energy: -19.726
flat angles C4'-P-C4' energy: -15.700
flat angles P-C4'-P energy: -4.749
tors. eta vs tors. theta energy: -11.816
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: 10, replica: 10
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -82.289682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.289682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.289682 (E_RNA)
where:
Base-Base interactions energy: -41.808
where: short stacking energy: -26.330
Base-Backbone interact. energy: 1.467
local terms energy: -41.949111
where:
bonds (distance) C4'-P energy: -16.770
bonds (distance) P-C4' energy: -13.994
flat angles C4'-P-C4' energy: -12.783
flat angles P-C4'-P energy: -6.262
tors. eta vs tors. theta energy: 7.861
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: 1, replica: 5
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -294.047847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.047847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.047847 (E_RNA)
where:
Base-Base interactions energy: -205.945
where: short stacking energy: -82.831
Base-Backbone interact. energy: -0.267
local terms energy: -87.836331
where:
bonds (distance) C4'-P energy: -16.207
bonds (distance) P-C4' energy: -18.624
flat angles C4'-P-C4' energy: -17.129
flat angles P-C4'-P energy: -12.026
tors. eta vs tors. theta energy: -23.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -287.391504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.391504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.391504 (E_RNA)
where:
Base-Base interactions energy: -187.555
where: short stacking energy: -79.715
Base-Backbone interact. energy: -0.007
local terms energy: -99.829015
where:
bonds (distance) C4'-P energy: -21.871
bonds (distance) P-C4' energy: -18.703
flat angles C4'-P-C4' energy: -22.270
flat angles P-C4'-P energy: -13.762
tors. eta vs tors. theta energy: -23.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -276.858683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.858683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.858683 (E_RNA)
where:
Base-Base interactions energy: -183.197
where: short stacking energy: -73.649
Base-Backbone interact. energy: -1.652
local terms energy: -92.009243
where:
bonds (distance) C4'-P energy: -18.572
bonds (distance) P-C4' energy: -18.209
flat angles C4'-P-C4' energy: -18.366
flat angles P-C4'-P energy: -15.616
tors. eta vs tors. theta energy: -21.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -272.722387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.722387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.722387 (E_RNA)
where:
Base-Base interactions energy: -175.747
where: short stacking energy: -71.208
Base-Backbone interact. energy: -0.221
local terms energy: -96.753945
where:
bonds (distance) C4'-P energy: -15.722
bonds (distance) P-C4' energy: -21.540
flat angles C4'-P-C4' energy: -20.240
flat angles P-C4'-P energy: -15.431
tors. eta vs tors. theta energy: -23.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -275.404010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.404010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.404010 (E_RNA)
where:
Base-Base interactions energy: -190.209
where: short stacking energy: -78.398
Base-Backbone interact. energy: -1.051
local terms energy: -84.144176
where:
bonds (distance) C4'-P energy: -17.449
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -18.184
flat angles P-C4'-P energy: -8.977
tors. eta vs tors. theta energy: -22.999
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -261.119256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.119256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.119256 (E_RNA)
where:
Base-Base interactions energy: -180.056
where: short stacking energy: -76.983
Base-Backbone interact. energy: -1.226
local terms energy: -79.837127
where:
bonds (distance) C4'-P energy: -12.270
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -17.790
flat angles P-C4'-P energy: -13.684
tors. eta vs tors. theta energy: -20.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -234.598549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.598549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.598549 (E_RNA)
where:
Base-Base interactions energy: -160.914
where: short stacking energy: -59.465
Base-Backbone interact. energy: -0.308
local terms energy: -73.376932
where:
bonds (distance) C4'-P energy: -17.900
bonds (distance) P-C4' energy: -14.677
flat angles C4'-P-C4' energy: -18.199
flat angles P-C4'-P energy: -7.228
tors. eta vs tors. theta energy: -15.373
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: 6
=====================================
Write number: 434
Temperature: 1.250000
Total energy: -111.830076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.830076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.830076 (E_RNA)
where:
Base-Base interactions energy: -47.381
where: short stacking energy: -42.340
Base-Backbone interact. energy: -0.012
local terms energy: -64.437109
where:
bonds (distance) C4'-P energy: -20.943
bonds (distance) P-C4' energy: -13.780
flat angles C4'-P-C4' energy: -17.568
flat angles P-C4'-P energy: -7.183
tors. eta vs tors. theta energy: -4.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -148.884343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.884343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.884343 (E_RNA)
where:
Base-Base interactions energy: -85.869
where: short stacking energy: -36.329
Base-Backbone interact. energy: -0.195
local terms energy: -62.820819
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -18.620
flat angles C4'-P-C4' energy: -12.113
flat angles P-C4'-P energy: -13.658
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: 10, replica: 10
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -89.087487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.087487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.087487 (E_RNA)
where:
Base-Base interactions energy: -33.242
where: short stacking energy: -25.810
Base-Backbone interact. energy: -0.394
local terms energy: -55.452200
where:
bonds (distance) C4'-P energy: -19.838
bonds (distance) P-C4' energy: -20.878
flat angles C4'-P-C4' energy: -10.599
flat angles P-C4'-P energy: -4.229
tors. eta vs tors. theta energy: 0.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -288.619480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.619480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.619480 (E_RNA)
where:
Base-Base interactions energy: -199.516
where: short stacking energy: -80.841
Base-Backbone interact. energy: -0.084
local terms energy: -89.018978
where:
bonds (distance) C4'-P energy: -16.386
bonds (distance) P-C4' energy: -17.745
flat angles C4'-P-C4' energy: -19.318
flat angles P-C4'-P energy: -13.869
tors. eta vs tors. theta energy: -21.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -279.738421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.738421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.738421 (E_RNA)
where:
Base-Base interactions energy: -187.858
where: short stacking energy: -77.833
Base-Backbone interact. energy: -0.046
local terms energy: -91.834432
where:
bonds (distance) C4'-P energy: -16.917
bonds (distance) P-C4' energy: -19.069
flat angles C4'-P-C4' energy: -18.963
flat angles P-C4'-P energy: -9.512
tors. eta vs tors. theta energy: -27.374
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: 3, replica: 3
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -273.357268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.357268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.357268 (E_RNA)
where:
Base-Base interactions energy: -186.484
where: short stacking energy: -70.468
Base-Backbone interact. energy: -0.105
local terms energy: -86.768208
where:
bonds (distance) C4'-P energy: -16.191
bonds (distance) P-C4' energy: -15.866
flat angles C4'-P-C4' energy: -16.586
flat angles P-C4'-P energy: -13.710
tors. eta vs tors. theta energy: -24.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -275.624121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.624121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.624121 (E_RNA)
where:
Base-Base interactions energy: -183.447
where: short stacking energy: -75.653
Base-Backbone interact. energy: -0.064
local terms energy: -92.112726
where:
bonds (distance) C4'-P energy: -21.615
bonds (distance) P-C4' energy: -19.746
flat angles C4'-P-C4' energy: -16.176
flat angles P-C4'-P energy: -11.828
tors. eta vs tors. theta energy: -22.748
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: 4
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -263.555815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.555815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.555815 (E_RNA)
where:
Base-Base interactions energy: -179.750
where: short stacking energy: -69.128
Base-Backbone interact. energy: -0.075
local terms energy: -83.730939
where:
bonds (distance) C4'-P energy: -13.827
bonds (distance) P-C4' energy: -19.331
flat angles C4'-P-C4' energy: -18.537
flat angles P-C4'-P energy: -11.350
tors. eta vs tors. theta energy: -20.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -244.007754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.007754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.007754 (E_RNA)
where:
Base-Base interactions energy: -160.360
where: short stacking energy: -63.078
Base-Backbone interact. energy: 0.754
local terms energy: -84.401930
where:
bonds (distance) C4'-P energy: -19.011
bonds (distance) P-C4' energy: -18.171
flat angles C4'-P-C4' energy: -19.933
flat angles P-C4'-P energy: -13.805
tors. eta vs tors. theta energy: -13.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -261.635888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.635888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.635888 (E_RNA)
where:
Base-Base interactions energy: -176.588
where: short stacking energy: -67.346
Base-Backbone interact. energy: -0.182
local terms energy: -84.865911
where:
bonds (distance) C4'-P energy: -16.870
bonds (distance) P-C4' energy: -21.430
flat angles C4'-P-C4' energy: -18.011
flat angles P-C4'-P energy: -9.748
tors. eta vs tors. theta energy: -18.807
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: 7
=====================================
Write number: 435
Temperature: 1.250000
Total energy: -158.395060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.395060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.395060 (E_RNA)
where:
Base-Base interactions energy: -87.087
where: short stacking energy: -53.861
Base-Backbone interact. energy: -0.005
local terms energy: -71.303077
where:
bonds (distance) C4'-P energy: -17.334
bonds (distance) P-C4' energy: -17.946
flat angles C4'-P-C4' energy: -18.145
flat angles P-C4'-P energy: -1.317
tors. eta vs tors. theta energy: -16.562
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: 9, replica: 6
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -100.787752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.787752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.787752 (E_RNA)
where:
Base-Base interactions energy: -48.354
where: short stacking energy: -26.291
Base-Backbone interact. energy: 0.531
local terms energy: -52.964852
where:
bonds (distance) C4'-P energy: -13.898
bonds (distance) P-C4' energy: -15.664
flat angles C4'-P-C4' energy: -11.933
flat angles P-C4'-P energy: -8.942
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: 10
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -85.231702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.231702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.231702 (E_RNA)
where:
Base-Base interactions energy: -37.358
where: short stacking energy: -21.592
Base-Backbone interact. energy: -0.187
local terms energy: -47.686283
where:
bonds (distance) C4'-P energy: -9.336
bonds (distance) P-C4' energy: -10.989
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -9.840
tors. eta vs tors. theta energy: -2.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -285.127234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.127234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.127234 (E_RNA)
where:
Base-Base interactions energy: -199.035
where: short stacking energy: -68.300
Base-Backbone interact. energy: 0.359
local terms energy: -86.451225
where:
bonds (distance) C4'-P energy: -15.024
bonds (distance) P-C4' energy: -19.585
flat angles C4'-P-C4' energy: -17.734
flat angles P-C4'-P energy: -13.336
tors. eta vs tors. theta energy: -20.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -286.018661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.018661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.018661 (E_RNA)
where:
Base-Base interactions energy: -199.008
where: short stacking energy: -76.057
Base-Backbone interact. energy: -0.155
local terms energy: -86.855501
where:
bonds (distance) C4'-P energy: -16.275
bonds (distance) P-C4' energy: -19.760
flat angles C4'-P-C4' energy: -19.464
flat angles P-C4'-P energy: -7.083
tors. eta vs tors. theta energy: -24.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -265.493034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.493034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.493034 (E_RNA)
where:
Base-Base interactions energy: -179.147
where: short stacking energy: -81.114
Base-Backbone interact. energy: 2.448
local terms energy: -88.793485
where:
bonds (distance) C4'-P energy: -15.240
bonds (distance) P-C4' energy: -21.070
flat angles C4'-P-C4' energy: -20.818
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -21.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -282.872247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.872247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.872247 (E_RNA)
where:
Base-Base interactions energy: -191.853
where: short stacking energy: -79.010
Base-Backbone interact. energy: -0.542
local terms energy: -90.477198
where:
bonds (distance) C4'-P energy: -19.055
bonds (distance) P-C4' energy: -16.026
flat angles C4'-P-C4' energy: -18.947
flat angles P-C4'-P energy: -12.365
tors. eta vs tors. theta energy: -24.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -274.843767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.843767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.843767 (E_RNA)
where:
Base-Base interactions energy: -187.109
where: short stacking energy: -77.807
Base-Backbone interact. energy: -0.778
local terms energy: -86.955874
where:
bonds (distance) C4'-P energy: -16.294
bonds (distance) P-C4' energy: -13.330
flat angles C4'-P-C4' energy: -19.485
flat angles P-C4'-P energy: -12.437
tors. eta vs tors. theta energy: -25.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -194.061442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.061442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.061442 (E_RNA)
where:
Base-Base interactions energy: -130.855
where: short stacking energy: -59.109
Base-Backbone interact. energy: -0.238
local terms energy: -62.968215
where:
bonds (distance) C4'-P energy: -16.711
bonds (distance) P-C4' energy: -16.778
flat angles C4'-P-C4' energy: -8.489
flat angles P-C4'-P energy: -6.964
tors. eta vs tors. theta energy: -14.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -245.671409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.671409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.671409 (E_RNA)
where:
Base-Base interactions energy: -166.691
where: short stacking energy: -63.843
Base-Backbone interact. energy: -0.057
local terms energy: -78.923468
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -15.750
flat angles C4'-P-C4' energy: -16.142
flat angles P-C4'-P energy: -12.574
tors. eta vs tors. theta energy: -19.178
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: 7
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -157.726920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.726920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.726920 (E_RNA)
where:
Base-Base interactions energy: -92.792
where: short stacking energy: -42.958
Base-Backbone interact. energy: -0.081
local terms energy: -64.854616
where:
bonds (distance) C4'-P energy: -13.074
bonds (distance) P-C4' energy: -18.278
flat angles C4'-P-C4' energy: -13.704
flat angles P-C4'-P energy: -9.660
tors. eta vs tors. theta energy: -10.139
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: 10
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -129.147897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.147897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.147897 (E_RNA)
where:
Base-Base interactions energy: -84.690
where: short stacking energy: -40.583
Base-Backbone interact. energy: -0.338
local terms energy: -44.119897
where:
bonds (distance) C4'-P energy: -7.226
bonds (distance) P-C4' energy: -16.605
flat angles C4'-P-C4' energy: -7.878
flat angles P-C4'-P energy: -7.991
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: 10, replica: 6
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -114.674587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.674587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.674587 (E_RNA)
where:
Base-Base interactions energy: -58.733
where: short stacking energy: -19.220
Base-Backbone interact. energy: -0.273
local terms energy: -55.668515
where:
bonds (distance) C4'-P energy: -17.563
bonds (distance) P-C4' energy: -18.048
flat angles C4'-P-C4' energy: -9.340
flat angles P-C4'-P energy: -13.707
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: 9
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -288.784215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.784215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.784215 (E_RNA)
where:
Base-Base interactions energy: -189.932
where: short stacking energy: -73.877
Base-Backbone interact. energy: -0.025
local terms energy: -98.827076
where:
bonds (distance) C4'-P energy: -19.817
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -21.224
flat angles P-C4'-P energy: -12.835
tors. eta vs tors. theta energy: -27.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -271.214920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.214920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.214920 (E_RNA)
where:
Base-Base interactions energy: -174.988
where: short stacking energy: -70.193
Base-Backbone interact. energy: -0.124
local terms energy: -96.102602
where:
bonds (distance) C4'-P energy: -20.559
bonds (distance) P-C4' energy: -19.792
flat angles C4'-P-C4' energy: -16.930
flat angles P-C4'-P energy: -14.514
tors. eta vs tors. theta energy: -24.307
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: 5
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -291.435858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.435858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.435858 (E_RNA)
where:
Base-Base interactions energy: -199.040
where: short stacking energy: -71.934
Base-Backbone interact. energy: -0.289
local terms energy: -92.106750
where:
bonds (distance) C4'-P energy: -19.714
bonds (distance) P-C4' energy: -17.990
flat angles C4'-P-C4' energy: -20.264
flat angles P-C4'-P energy: -13.520
tors. eta vs tors. theta energy: -20.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -276.280923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.280923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.280923 (E_RNA)
where:
Base-Base interactions energy: -195.310
where: short stacking energy: -79.103
Base-Backbone interact. energy: -1.008
local terms energy: -79.962815
where:
bonds (distance) C4'-P energy: -14.614
bonds (distance) P-C4' energy: -11.379
flat angles C4'-P-C4' energy: -16.758
flat angles P-C4'-P energy: -12.271
tors. eta vs tors. theta energy: -24.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -280.544504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.544504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.544504 (E_RNA)
where:
Base-Base interactions energy: -191.768
where: short stacking energy: -77.705
Base-Backbone interact. energy: -1.191
local terms energy: -87.585868
where:
bonds (distance) C4'-P energy: -11.460
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -20.464
flat angles P-C4'-P energy: -11.750
tors. eta vs tors. theta energy: -28.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -266.670467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.670467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.670467 (E_RNA)
where:
Base-Base interactions energy: -182.898
where: short stacking energy: -81.272
Base-Backbone interact. energy: -1.053
local terms energy: -82.720125
where:
bonds (distance) C4'-P energy: -21.027
bonds (distance) P-C4' energy: -13.575
flat angles C4'-P-C4' energy: -21.386
flat angles P-C4'-P energy: -4.161
tors. eta vs tors. theta energy: -22.571
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: 2
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -169.157641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.157641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.157641 (E_RNA)
where:
Base-Base interactions energy: -104.309
where: short stacking energy: -45.166
Base-Backbone interact. energy: -0.336
local terms energy: -64.512676
where:
bonds (distance) C4'-P energy: -16.323
bonds (distance) P-C4' energy: -17.983
flat angles C4'-P-C4' energy: -17.279
flat angles P-C4'-P energy: -9.952
tors. eta vs tors. theta energy: -2.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -125.275971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.275971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.275971 (E_RNA)
where:
Base-Base interactions energy: -71.644
where: short stacking energy: -31.767
Base-Backbone interact. energy: -0.951
local terms energy: -52.681280
where:
bonds (distance) C4'-P energy: -14.295
bonds (distance) P-C4' energy: -11.793
flat angles C4'-P-C4' energy: -12.396
flat angles P-C4'-P energy: -15.585
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: 7
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -90.079761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.079761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.079761 (E_RNA)
where:
Base-Base interactions energy: -29.300
where: short stacking energy: -29.300
Base-Backbone interact. energy: -0.735
local terms energy: -60.044098
where:
bonds (distance) C4'-P energy: -10.964
bonds (distance) P-C4' energy: -21.891
flat angles C4'-P-C4' energy: -19.380
flat angles P-C4'-P energy: -3.998
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: 10, replica: 6
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -93.341055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.341055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.341055 (E_RNA)
where:
Base-Base interactions energy: -36.774
where: short stacking energy: -27.547
Base-Backbone interact. energy: -0.226
local terms energy: -56.340923
where:
bonds (distance) C4'-P energy: -12.145
bonds (distance) P-C4' energy: -12.668
flat angles C4'-P-C4' energy: -14.758
flat angles P-C4'-P energy: -12.834
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: 1, replica: 9
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -290.150770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.150770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.150770 (E_RNA)
where:
Base-Base interactions energy: -205.114
where: short stacking energy: -78.073
Base-Backbone interact. energy: -0.004
local terms energy: -85.032617
where:
bonds (distance) C4'-P energy: -19.243
bonds (distance) P-C4' energy: -12.739
flat angles C4'-P-C4' energy: -19.887
flat angles P-C4'-P energy: -5.881
tors. eta vs tors. theta energy: -27.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -275.367001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.367001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.367001 (E_RNA)
where:
Base-Base interactions energy: -180.495
where: short stacking energy: -83.864
Base-Backbone interact. energy: -0.004
local terms energy: -94.868044
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -20.762
flat angles C4'-P-C4' energy: -19.495
flat angles P-C4'-P energy: -15.115
tors. eta vs tors. theta energy: -22.926
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: 4
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -284.119416 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.119416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.119416 (E_RNA)
where:
Base-Base interactions energy: -189.292
where: short stacking energy: -77.902
Base-Backbone interact. energy: -0.761
local terms energy: -94.066450
where:
bonds (distance) C4'-P energy: -19.739
bonds (distance) P-C4' energy: -14.001
flat angles C4'-P-C4' energy: -17.982
flat angles P-C4'-P energy: -16.720
tors. eta vs tors. theta energy: -25.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -282.678997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.678997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.678997 (E_RNA)
where:
Base-Base interactions energy: -194.594
where: short stacking energy: -80.167
Base-Backbone interact. energy: -0.037
local terms energy: -88.047505
where:
bonds (distance) C4'-P energy: -15.631
bonds (distance) P-C4' energy: -16.863
flat angles C4'-P-C4' energy: -20.035
flat angles P-C4'-P energy: -13.294
tors. eta vs tors. theta energy: -22.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -273.760670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.760670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.760670 (E_RNA)
where:
Base-Base interactions energy: -191.999
where: short stacking energy: -69.100
Base-Backbone interact. energy: -0.663
local terms energy: -81.099399
where:
bonds (distance) C4'-P energy: -13.548
bonds (distance) P-C4' energy: -16.025
flat angles C4'-P-C4' energy: -16.868
flat angles P-C4'-P energy: -11.491
tors. eta vs tors. theta energy: -23.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -267.441904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.441904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.441904 (E_RNA)
where:
Base-Base interactions energy: -179.545
where: short stacking energy: -73.719
Base-Backbone interact. energy: -0.379
local terms energy: -87.517855
where:
bonds (distance) C4'-P energy: -16.834
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -19.876
flat angles P-C4'-P energy: -14.857
tors. eta vs tors. theta energy: -18.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -180.048236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.048236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.048236 (E_RNA)
where:
Base-Base interactions energy: -111.161
where: short stacking energy: -45.948
Base-Backbone interact. energy: -0.434
local terms energy: -68.452427
where:
bonds (distance) C4'-P energy: -12.675
bonds (distance) P-C4' energy: -18.026
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -8.062
tors. eta vs tors. theta energy: -13.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -101.339502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.339502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.339502 (E_RNA)
where:
Base-Base interactions energy: -35.961
where: short stacking energy: -34.046
Base-Backbone interact. energy: -0.424
local terms energy: -64.954547
where:
bonds (distance) C4'-P energy: -19.047
bonds (distance) P-C4' energy: -15.028
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -8.307
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: 9, replica: 6
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -110.050541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.050541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.050541 (E_RNA)
where:
Base-Base interactions energy: -51.138
where: short stacking energy: -31.554
Base-Backbone interact. energy: -0.865
local terms energy: -58.046953
where:
bonds (distance) C4'-P energy: -18.261
bonds (distance) P-C4' energy: -14.216
flat angles C4'-P-C4' energy: -19.172
flat angles P-C4'-P energy: -3.014
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: 10, replica: 7
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -86.594426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.594426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.594426 (E_RNA)
where:
Base-Base interactions energy: -23.027
where: short stacking energy: -23.027
Base-Backbone interact. energy: 1.561
local terms energy: -65.128661
where:
bonds (distance) C4'-P energy: -15.642
bonds (distance) P-C4' energy: -20.763
flat angles C4'-P-C4' energy: -18.305
flat angles P-C4'-P energy: -6.623
tors. eta vs tors. theta energy: -3.796
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: 1, replica: 9
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -291.255783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.255783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.255783 (E_RNA)
where:
Base-Base interactions energy: -192.692
where: short stacking energy: -89.682
Base-Backbone interact. energy: -1.671
local terms energy: -96.892272
where:
bonds (distance) C4'-P energy: -16.798
bonds (distance) P-C4' energy: -18.840
flat angles C4'-P-C4' energy: -21.746
flat angles P-C4'-P energy: -13.374
tors. eta vs tors. theta energy: -26.134
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: 2, replica: 4
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -290.957926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.957926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.957926 (E_RNA)
where:
Base-Base interactions energy: -194.967
where: short stacking energy: -79.591
Base-Backbone interact. energy: -0.853
local terms energy: -95.137538
where:
bonds (distance) C4'-P energy: -18.799
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -17.813
flat angles P-C4'-P energy: -16.078
tors. eta vs tors. theta energy: -25.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -267.758767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.758767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.758767 (E_RNA)
where:
Base-Base interactions energy: -177.095
where: short stacking energy: -86.203
Base-Backbone interact. energy: -0.798
local terms energy: -89.865312
where:
bonds (distance) C4'-P energy: -11.293
bonds (distance) P-C4' energy: -21.411
flat angles C4'-P-C4' energy: -19.472
flat angles P-C4'-P energy: -15.583
tors. eta vs tors. theta energy: -22.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 439
Temperature: 1.050000
Total energy: -275.369323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.369323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.369323 (E_RNA)
where:
Base-Base interactions energy: -184.275
where: short stacking energy: -75.586
Base-Backbone interact. energy: -0.126
local terms energy: -90.968059
where:
bonds (distance) C4'-P energy: -17.686
bonds (distance) P-C4' energy: -20.517
flat angles C4'-P-C4' energy: -18.044
flat angles P-C4'-P energy: -9.715
tors. eta vs tors. theta energy: -25.006
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: 1
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -272.454041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.454041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.454041 (E_RNA)
where:
Base-Base interactions energy: -188.488
where: short stacking energy: -75.419
Base-Backbone interact. energy: 0.109
local terms energy: -84.074992
where:
bonds (distance) C4'-P energy: -13.869
bonds (distance) P-C4' energy: -15.851
flat angles C4'-P-C4' energy: -19.617
flat angles P-C4'-P energy: -11.848
tors. eta vs tors. theta energy: -22.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -265.991747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.991747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.991747 (E_RNA)
where:
Base-Base interactions energy: -179.176
where: short stacking energy: -71.239
Base-Backbone interact. energy: -0.592
local terms energy: -86.223423
where:
bonds (distance) C4'-P energy: -17.805
bonds (distance) P-C4' energy: -17.247
flat angles C4'-P-C4' energy: -15.941
flat angles P-C4'-P energy: -10.550
tors. eta vs tors. theta energy: -24.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -194.214433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.214433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.214433 (E_RNA)
where:
Base-Base interactions energy: -114.039
where: short stacking energy: -47.161
Base-Backbone interact. energy: 0.314
local terms energy: -80.489121
where:
bonds (distance) C4'-P energy: -19.202
bonds (distance) P-C4' energy: -21.519
flat angles C4'-P-C4' energy: -17.417
flat angles P-C4'-P energy: -12.366
tors. eta vs tors. theta energy: -9.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -102.117354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.117354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.117354 (E_RNA)
where:
Base-Base interactions energy: -45.705
where: short stacking energy: -22.121
Base-Backbone interact. energy: -0.941
local terms energy: -55.471185
where:
bonds (distance) C4'-P energy: -15.997
bonds (distance) P-C4' energy: -16.629
flat angles C4'-P-C4' energy: -18.187
flat angles P-C4'-P energy: -1.427
tors. eta vs tors. theta energy: -3.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -99.692697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.692697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.692697 (E_RNA)
where:
Base-Base interactions energy: -37.021
where: short stacking energy: -23.293
Base-Backbone interact. energy: 0.770
local terms energy: -63.441311
where:
bonds (distance) C4'-P energy: -16.004
bonds (distance) P-C4' energy: -18.477
flat angles C4'-P-C4' energy: -15.160
flat angles P-C4'-P energy: -8.615
tors. eta vs tors. theta energy: -5.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -89.230744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.230744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.230744 (E_RNA)
where:
Base-Base interactions energy: -25.172
where: short stacking energy: -23.496
Base-Backbone interact. energy: -0.269
local terms energy: -63.790142
where:
bonds (distance) C4'-P energy: -18.435
bonds (distance) P-C4' energy: -17.374
flat angles C4'-P-C4' energy: -20.125
flat angles P-C4'-P energy: -3.669
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: 4
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -294.615950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.615950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.615950 (E_RNA)
where:
Base-Base interactions energy: -198.648
where: short stacking energy: -84.453
Base-Backbone interact. energy: -0.702
local terms energy: -95.265515
where:
bonds (distance) C4'-P energy: -18.746
bonds (distance) P-C4' energy: -20.159
flat angles C4'-P-C4' energy: -17.588
flat angles P-C4'-P energy: -10.316
tors. eta vs tors. theta energy: -28.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -284.330935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.330935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.330935 (E_RNA)
where:
Base-Base interactions energy: -194.849
where: short stacking energy: -90.879
Base-Backbone interact. energy: -0.281
local terms energy: -89.200882
where:
bonds (distance) C4'-P energy: -17.517
bonds (distance) P-C4' energy: -16.846
flat angles C4'-P-C4' energy: -19.350
flat angles P-C4'-P energy: -11.722
tors. eta vs tors. theta energy: -23.766
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: 440
Temperature: 1.000000
Total energy: -283.022589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.022589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.022589 (E_RNA)
where:
Base-Base interactions energy: -194.084
where: short stacking energy: -76.258
Base-Backbone interact. energy: -0.053
local terms energy: -88.885248
where:
bonds (distance) C4'-P energy: -15.090
bonds (distance) P-C4' energy: -21.136
flat angles C4'-P-C4' energy: -17.878
flat angles P-C4'-P energy: -14.746
tors. eta vs tors. theta energy: -20.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -267.470143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.470143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.470143 (E_RNA)
where:
Base-Base interactions energy: -179.701
where: short stacking energy: -75.039
Base-Backbone interact. energy: -1.121
local terms energy: -86.647990
where:
bonds (distance) C4'-P energy: -12.006
bonds (distance) P-C4' energy: -20.697
flat angles C4'-P-C4' energy: -18.348
flat angles P-C4'-P energy: -13.844
tors. eta vs tors. theta energy: -21.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -268.876222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.876222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.876222 (E_RNA)
where:
Base-Base interactions energy: -183.513
where: short stacking energy: -73.607
Base-Backbone interact. energy: -0.470
local terms energy: -84.893458
where:
bonds (distance) C4'-P energy: -14.074
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -20.148
flat angles P-C4'-P energy: -12.386
tors. eta vs tors. theta energy: -25.409
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -249.096436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.096436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.096436 (E_RNA)
where:
Base-Base interactions energy: -159.888
where: short stacking energy: -62.080
Base-Backbone interact. energy: -0.591
local terms energy: -88.617588
where:
bonds (distance) C4'-P energy: -19.105
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -16.694
flat angles P-C4'-P energy: -12.383
tors. eta vs tors. theta energy: -21.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -103.498918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.498918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.498918 (E_RNA)
where:
Base-Base interactions energy: -47.491
where: short stacking energy: -39.420
Base-Backbone interact. energy: -0.023
local terms energy: -55.984501
where:
bonds (distance) C4'-P energy: -18.188
bonds (distance) P-C4' energy: -15.139
flat angles C4'-P-C4' energy: -11.525
flat angles P-C4'-P energy: -7.009
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: 8, replica: 2
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -168.536422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.536422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.536422 (E_RNA)
where:
Base-Base interactions energy: -101.328
where: short stacking energy: -48.859
Base-Backbone interact. energy: -0.468
local terms energy: -66.740816
where:
bonds (distance) C4'-P energy: -16.152
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -13.539
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -10.743
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: 7
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -93.438707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.438707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.438707 (E_RNA)
where:
Base-Base interactions energy: -35.855
where: short stacking energy: -29.882
Base-Backbone interact. energy: -0.434
local terms energy: -57.149362
where:
bonds (distance) C4'-P energy: -12.180
bonds (distance) P-C4' energy: -18.897
flat angles C4'-P-C4' energy: -18.341
flat angles P-C4'-P energy: -7.828
tors. eta vs tors. theta energy: 0.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -89.824531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.824531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.824531 (E_RNA)
where:
Base-Base interactions energy: -28.534
where: short stacking energy: -27.665
Base-Backbone interact. energy: 0.152
local terms energy: -61.442645
where:
bonds (distance) C4'-P energy: -18.220
bonds (distance) P-C4' energy: -15.052
flat angles C4'-P-C4' energy: -13.503
flat angles P-C4'-P energy: -12.483
tors. eta vs tors. theta energy: -2.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -294.365010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.365010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.365010 (E_RNA)
where:
Base-Base interactions energy: -201.705
where: short stacking energy: -83.918
Base-Backbone interact. energy: -0.082
local terms energy: -92.578011
where:
bonds (distance) C4'-P energy: -19.326
bonds (distance) P-C4' energy: -15.754
flat angles C4'-P-C4' energy: -17.913
flat angles P-C4'-P energy: -15.004
tors. eta vs tors. theta energy: -24.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -290.706199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.706199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.706199 (E_RNA)
where:
Base-Base interactions energy: -192.760
where: short stacking energy: -87.790
Base-Backbone interact. energy: -0.002
local terms energy: -97.943898
where:
bonds (distance) C4'-P energy: -17.482
bonds (distance) P-C4' energy: -21.192
flat angles C4'-P-C4' energy: -21.529
flat angles P-C4'-P energy: -9.718
tors. eta vs tors. theta energy: -28.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -285.031741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.031741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.031741 (E_RNA)
where:
Base-Base interactions energy: -187.238
where: short stacking energy: -85.971
Base-Backbone interact. energy: -0.124
local terms energy: -97.669440
where:
bonds (distance) C4'-P energy: -14.157
bonds (distance) P-C4' energy: -21.482
flat angles C4'-P-C4' energy: -20.809
flat angles P-C4'-P energy: -14.970
tors. eta vs tors. theta energy: -26.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -281.962195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.962195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.962195 (E_RNA)
where:
Base-Base interactions energy: -194.078
where: short stacking energy: -72.696
Base-Backbone interact. energy: -0.110
local terms energy: -87.774099
where:
bonds (distance) C4'-P energy: -12.734
bonds (distance) P-C4' energy: -20.632
flat angles C4'-P-C4' energy: -19.158
flat angles P-C4'-P energy: -14.785
tors. eta vs tors. theta energy: -20.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -254.585971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.585971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.585971 (E_RNA)
where:
Base-Base interactions energy: -174.182
where: short stacking energy: -74.343
Base-Backbone interact. energy: -0.981
local terms energy: -79.422193
where:
bonds (distance) C4'-P energy: -14.204
bonds (distance) P-C4' energy: -13.450
flat angles C4'-P-C4' energy: -18.051
flat angles P-C4'-P energy: -17.301
tors. eta vs tors. theta energy: -16.416
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: 1
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -259.851939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.851939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.851939 (E_RNA)
where:
Base-Base interactions energy: -177.390
where: short stacking energy: -61.959
Base-Backbone interact. energy: -0.233
local terms energy: -82.228428
where:
bonds (distance) C4'-P energy: -15.662
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -19.350
flat angles P-C4'-P energy: -12.338
tors. eta vs tors. theta energy: -15.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -99.071903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.071903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.071903 (E_RNA)
where:
Base-Base interactions energy: -34.182
where: short stacking energy: -32.790
Base-Backbone interact. energy: -0.145
local terms energy: -64.745255
where:
bonds (distance) C4'-P energy: -17.994
bonds (distance) P-C4' energy: -14.554
flat angles C4'-P-C4' energy: -15.815
flat angles P-C4'-P energy: -10.614
tors. eta vs tors. theta energy: -5.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -102.177254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.177254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.177254 (E_RNA)
where:
Base-Base interactions energy: -32.227
where: short stacking energy: -26.337
Base-Backbone interact. energy: -0.088
local terms energy: -69.862505
where:
bonds (distance) C4'-P energy: -18.894
bonds (distance) P-C4' energy: -19.573
flat angles C4'-P-C4' energy: -17.133
flat angles P-C4'-P energy: -10.834
tors. eta vs tors. theta energy: -3.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -184.717709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.717709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.717709 (E_RNA)
where:
Base-Base interactions energy: -122.592
where: short stacking energy: -48.618
Base-Backbone interact. energy: -0.180
local terms energy: -61.945273
where:
bonds (distance) C4'-P energy: -15.062
bonds (distance) P-C4' energy: -13.795
flat angles C4'-P-C4' energy: -12.071
flat angles P-C4'-P energy: -11.148
tors. eta vs tors. theta energy: -9.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -97.034906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.034906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.034906 (E_RNA)
where:
Base-Base interactions energy: -40.525
where: short stacking energy: -28.217
Base-Backbone interact. energy: -1.385
local terms energy: -55.124975
where:
bonds (distance) C4'-P energy: -13.910
bonds (distance) P-C4' energy: -17.920
flat angles C4'-P-C4' energy: -12.429
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -0.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -297.173604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.173604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.173604 (E_RNA)
where:
Base-Base interactions energy: -197.046
where: short stacking energy: -78.949
Base-Backbone interact. energy: -0.258
local terms energy: -99.870063
where:
bonds (distance) C4'-P energy: -19.343
bonds (distance) P-C4' energy: -19.227
flat angles C4'-P-C4' energy: -21.467
flat angles P-C4'-P energy: -14.664
tors. eta vs tors. theta energy: -25.169
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: 2, replica: 4
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -285.032645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.032645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.032645 (E_RNA)
where:
Base-Base interactions energy: -186.776
where: short stacking energy: -77.679
Base-Backbone interact. energy: -0.047
local terms energy: -98.210300
where:
bonds (distance) C4'-P energy: -17.684
bonds (distance) P-C4' energy: -19.486
flat angles C4'-P-C4' energy: -19.389
flat angles P-C4'-P energy: -14.925
tors. eta vs tors. theta energy: -26.727
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: 442
Temperature: 1.000000
Total energy: -277.931596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.931596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.931596 (E_RNA)
where:
Base-Base interactions energy: -186.305
where: short stacking energy: -73.118
Base-Backbone interact. energy: 0.312
local terms energy: -91.938858
where:
bonds (distance) C4'-P energy: -18.551
bonds (distance) P-C4' energy: -16.791
flat angles C4'-P-C4' energy: -17.256
flat angles P-C4'-P energy: -14.847
tors. eta vs tors. theta energy: -24.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -282.230887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.230887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.230887 (E_RNA)
where:
Base-Base interactions energy: -198.062
where: short stacking energy: -76.629
Base-Backbone interact. energy: -0.863
local terms energy: -83.306285
where:
bonds (distance) C4'-P energy: -14.423
bonds (distance) P-C4' energy: -15.987
flat angles C4'-P-C4' energy: -15.965
flat angles P-C4'-P energy: -13.944
tors. eta vs tors. theta energy: -22.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -271.630650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.630650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.630650 (E_RNA)
where:
Base-Base interactions energy: -188.217
where: short stacking energy: -70.958
Base-Backbone interact. energy: -0.115
local terms energy: -83.297755
where:
bonds (distance) C4'-P energy: -13.253
bonds (distance) P-C4' energy: -15.927
flat angles C4'-P-C4' energy: -19.430
flat angles P-C4'-P energy: -14.195
tors. eta vs tors. theta energy: -20.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -273.108859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.108859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.108859 (E_RNA)
where:
Base-Base interactions energy: -181.289
where: short stacking energy: -80.603
Base-Backbone interact. energy: -0.101
local terms energy: -91.718481
where:
bonds (distance) C4'-P energy: -13.338
bonds (distance) P-C4' energy: -18.992
flat angles C4'-P-C4' energy: -20.487
flat angles P-C4'-P energy: -12.625
tors. eta vs tors. theta energy: -26.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 442
Temperature: 1.200000
Total energy: -103.172107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.172107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.172107 (E_RNA)
where:
Base-Base interactions energy: -31.802
where: short stacking energy: -30.982
Base-Backbone interact. energy: -0.189
local terms energy: -71.181645
where:
bonds (distance) C4'-P energy: -18.100
bonds (distance) P-C4' energy: -21.958
flat angles C4'-P-C4' energy: -18.009
flat angles P-C4'-P energy: -8.455
tors. eta vs tors. theta energy: -4.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -99.239364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.239364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.239364 (E_RNA)
where:
Base-Base interactions energy: -37.758
where: short stacking energy: -35.042
Base-Backbone interact. energy: -0.259
local terms energy: -61.223120
where:
bonds (distance) C4'-P energy: -18.812
bonds (distance) P-C4' energy: -19.516
flat angles C4'-P-C4' energy: -12.295
flat angles P-C4'-P energy: -7.993
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: 2
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -150.515516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.515516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.515516 (E_RNA)
where:
Base-Base interactions energy: -87.397
where: short stacking energy: -41.313
Base-Backbone interact. energy: 0.489
local terms energy: -63.607070
where:
bonds (distance) C4'-P energy: -17.420
bonds (distance) P-C4' energy: -15.006
flat angles C4'-P-C4' energy: -12.435
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -9.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -90.643887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.643887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.643887 (E_RNA)
where:
Base-Base interactions energy: -34.490
where: short stacking energy: -24.101
Base-Backbone interact. energy: -0.092
local terms energy: -56.061807
where:
bonds (distance) C4'-P energy: -21.987
bonds (distance) P-C4' energy: -12.063
flat angles C4'-P-C4' energy: -14.304
flat angles P-C4'-P energy: -8.857
tors. eta vs tors. theta energy: 1.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -297.288074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.288074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.288074 (E_RNA)
where:
Base-Base interactions energy: -201.811
where: short stacking energy: -86.143
Base-Backbone interact. energy: -0.003
local terms energy: -95.474012
where:
bonds (distance) C4'-P energy: -19.755
bonds (distance) P-C4' energy: -19.682
flat angles C4'-P-C4' energy: -19.797
flat angles P-C4'-P energy: -11.863
tors. eta vs tors. theta energy: -24.376
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: 4
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -286.729169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.729169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.729169 (E_RNA)
where:
Base-Base interactions energy: -197.735
where: short stacking energy: -71.855
Base-Backbone interact. energy: -0.312
local terms energy: -88.682529
where:
bonds (distance) C4'-P energy: -18.580
bonds (distance) P-C4' energy: -18.350
flat angles C4'-P-C4' energy: -17.826
flat angles P-C4'-P energy: -11.612
tors. eta vs tors. theta energy: -22.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -279.636462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.636462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.636462 (E_RNA)
where:
Base-Base interactions energy: -197.495
where: short stacking energy: -77.304
Base-Backbone interact. energy: 0.110
local terms energy: -82.251706
where:
bonds (distance) C4'-P energy: -14.927
bonds (distance) P-C4' energy: -16.856
flat angles C4'-P-C4' energy: -18.404
flat angles P-C4'-P energy: -12.396
tors. eta vs tors. theta energy: -19.669
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: 3
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -262.684626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.684626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.684626 (E_RNA)
where:
Base-Base interactions energy: -175.096
where: short stacking energy: -74.691
Base-Backbone interact. energy: -0.683
local terms energy: -86.905522
where:
bonds (distance) C4'-P energy: -16.385
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -19.496
flat angles P-C4'-P energy: -14.367
tors. eta vs tors. theta energy: -20.032
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: 8
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -269.028970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.028970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.028970 (E_RNA)
where:
Base-Base interactions energy: -180.065
where: short stacking energy: -73.346
Base-Backbone interact. energy: -0.325
local terms energy: -88.639367
where:
bonds (distance) C4'-P energy: -18.104
bonds (distance) P-C4' energy: -13.483
flat angles C4'-P-C4' energy: -18.350
flat angles P-C4'-P energy: -13.188
tors. eta vs tors. theta energy: -25.514
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: 6, replica: 1
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -270.843434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.843434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.843434 (E_RNA)
where:
Base-Base interactions energy: -185.897
where: short stacking energy: -71.004
Base-Backbone interact. energy: -0.913
local terms energy: -84.032785
where:
bonds (distance) C4'-P energy: -17.674
bonds (distance) P-C4' energy: -9.061
flat angles C4'-P-C4' energy: -18.417
flat angles P-C4'-P energy: -14.171
tors. eta vs tors. theta energy: -24.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -116.338256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.338256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.338256 (E_RNA)
where:
Base-Base interactions energy: -39.890
where: short stacking energy: -39.890
Base-Backbone interact. energy: -0.002
local terms energy: -76.445430
where:
bonds (distance) C4'-P energy: -17.503
bonds (distance) P-C4' energy: -19.982
flat angles C4'-P-C4' energy: -17.457
flat angles P-C4'-P energy: -8.760
tors. eta vs tors. theta energy: -12.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 443
Temperature: 1.250000
Total energy: -169.830470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.830470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.830470 (E_RNA)
where:
Base-Base interactions energy: -101.185
where: short stacking energy: -47.766
Base-Backbone interact. energy: -0.147
local terms energy: -68.498134
where:
bonds (distance) C4'-P energy: -18.895
bonds (distance) P-C4' energy: -18.752
flat angles C4'-P-C4' energy: -14.948
flat angles P-C4'-P energy: -10.866
tors. eta vs tors. theta energy: -5.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -92.257265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.257265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.257265 (E_RNA)
where:
Base-Base interactions energy: -36.989
where: short stacking energy: -32.256
Base-Backbone interact. energy: -0.312
local terms energy: -54.955763
where:
bonds (distance) C4'-P energy: -11.939
bonds (distance) P-C4' energy: -11.312
flat angles C4'-P-C4' energy: -13.877
flat angles P-C4'-P energy: -11.010
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: 10, replica: 10
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -82.154717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.154717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.154717 (E_RNA)
where:
Base-Base interactions energy: -24.714
where: short stacking energy: -24.714
Base-Backbone interact. energy: -0.255
local terms energy: -57.186345
where:
bonds (distance) C4'-P energy: -20.550
bonds (distance) P-C4' energy: -14.869
flat angles C4'-P-C4' energy: -13.710
flat angles P-C4'-P energy: -7.288
tors. eta vs tors. theta energy: -0.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -288.334903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.334903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.334903 (E_RNA)
where:
Base-Base interactions energy: -197.713
where: short stacking energy: -87.103
Base-Backbone interact. energy: -0.103
local terms energy: -90.519323
where:
bonds (distance) C4'-P energy: -19.156
bonds (distance) P-C4' energy: -16.131
flat angles C4'-P-C4' energy: -17.208
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: -27.891
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: 2, replica: 5
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -291.283762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.283762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.283762 (E_RNA)
where:
Base-Base interactions energy: -197.398
where: short stacking energy: -81.625
Base-Backbone interact. energy: -0.000
local terms energy: -93.885907
where:
bonds (distance) C4'-P energy: -19.014
bonds (distance) P-C4' energy: -12.666
flat angles C4'-P-C4' energy: -19.088
flat angles P-C4'-P energy: -15.703
tors. eta vs tors. theta energy: -27.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -283.550673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.550673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.550673 (E_RNA)
where:
Base-Base interactions energy: -186.116
where: short stacking energy: -77.102
Base-Backbone interact. energy: -0.527
local terms energy: -96.908178
where:
bonds (distance) C4'-P energy: -18.021
bonds (distance) P-C4' energy: -22.209
flat angles C4'-P-C4' energy: -19.078
flat angles P-C4'-P energy: -12.319
tors. eta vs tors. theta energy: -25.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -267.327961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.327961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.327961 (E_RNA)
where:
Base-Base interactions energy: -175.682
where: short stacking energy: -75.006
Base-Backbone interact. energy: -0.011
local terms energy: -91.634744
where:
bonds (distance) C4'-P energy: -18.229
bonds (distance) P-C4' energy: -19.051
flat angles C4'-P-C4' energy: -16.431
flat angles P-C4'-P energy: -14.269
tors. eta vs tors. theta energy: -23.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -261.388250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.388250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.388250 (E_RNA)
where:
Base-Base interactions energy: -180.042
where: short stacking energy: -67.700
Base-Backbone interact. energy: -0.066
local terms energy: -81.280890
where:
bonds (distance) C4'-P energy: -17.859
bonds (distance) P-C4' energy: -11.415
flat angles C4'-P-C4' energy: -19.565
flat angles P-C4'-P energy: -12.378
tors. eta vs tors. theta energy: -20.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -247.907775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.907775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.907775 (E_RNA)
where:
Base-Base interactions energy: -166.116
where: short stacking energy: -64.003
Base-Backbone interact. energy: -0.182
local terms energy: -81.609676
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -17.602
flat angles C4'-P-C4' energy: -19.225
flat angles P-C4'-P energy: -13.625
tors. eta vs tors. theta energy: -16.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -195.230454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.230454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.230454 (E_RNA)
where:
Base-Base interactions energy: -120.541
where: short stacking energy: -47.322
Base-Backbone interact. energy: -2.166
local terms energy: -72.524106
where:
bonds (distance) C4'-P energy: -17.440
bonds (distance) P-C4' energy: -20.412
flat angles C4'-P-C4' energy: -13.824
flat angles P-C4'-P energy: -11.471
tors. eta vs tors. theta energy: -9.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -107.015548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.015548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.015548 (E_RNA)
where:
Base-Base interactions energy: -50.949
where: short stacking energy: -32.950
Base-Backbone interact. energy: -0.343
local terms energy: -55.723187
where:
bonds (distance) C4'-P energy: -15.135
bonds (distance) P-C4' energy: -14.443
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -6.508
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: 9, replica: 10
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -88.099294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.099294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.099294 (E_RNA)
where:
Base-Base interactions energy: -38.879
where: short stacking energy: -29.810
Base-Backbone interact. energy: -0.268
local terms energy: -48.951488
where:
bonds (distance) C4'-P energy: -15.776
bonds (distance) P-C4' energy: -17.696
flat angles C4'-P-C4' energy: -6.779
flat angles P-C4'-P energy: -12.013
tors. eta vs tors. theta energy: 3.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -86.167332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.167332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.167332 (E_RNA)
where:
Base-Base interactions energy: -30.618
where: short stacking energy: -25.981
Base-Backbone interact. energy: -0.238
local terms energy: -55.311042
where:
bonds (distance) C4'-P energy: -12.354
bonds (distance) P-C4' energy: -20.333
flat angles C4'-P-C4' energy: -12.785
flat angles P-C4'-P energy: -5.179
tors. eta vs tors. theta energy: -4.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -294.630790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.630790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.630790 (E_RNA)
where:
Base-Base interactions energy: -193.047
where: short stacking energy: -84.536
Base-Backbone interact. energy: -0.684
local terms energy: -100.900354
where:
bonds (distance) C4'-P energy: -19.235
bonds (distance) P-C4' energy: -19.179
flat angles C4'-P-C4' energy: -18.613
flat angles P-C4'-P energy: -15.386
tors. eta vs tors. theta energy: -28.487
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: 445
Temperature: 0.950000
Total energy: -289.742660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.742660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.742660 (E_RNA)
where:
Base-Base interactions energy: -197.786
where: short stacking energy: -84.526
Base-Backbone interact. energy: -0.056
local terms energy: -91.900496
where:
bonds (distance) C4'-P energy: -19.349
bonds (distance) P-C4' energy: -15.872
flat angles C4'-P-C4' energy: -20.058
flat angles P-C4'-P energy: -10.214
tors. eta vs tors. theta energy: -26.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -280.882873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.882873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.882873 (E_RNA)
where:
Base-Base interactions energy: -190.577
where: short stacking energy: -73.530
Base-Backbone interact. energy: -0.327
local terms energy: -89.978535
where:
bonds (distance) C4'-P energy: -18.357
bonds (distance) P-C4' energy: -13.932
flat angles C4'-P-C4' energy: -21.201
flat angles P-C4'-P energy: -10.864
tors. eta vs tors. theta energy: -25.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -274.122495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.122495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.122495 (E_RNA)
where:
Base-Base interactions energy: -187.475
where: short stacking energy: -72.145
Base-Backbone interact. energy: -0.143
local terms energy: -86.504807
where:
bonds (distance) C4'-P energy: -13.111
bonds (distance) P-C4' energy: -19.908
flat angles C4'-P-C4' energy: -19.149
flat angles P-C4'-P energy: -11.846
tors. eta vs tors. theta energy: -22.490
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: 1
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -272.678444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.678444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.678444 (E_RNA)
where:
Base-Base interactions energy: -187.952
where: short stacking energy: -85.823
Base-Backbone interact. energy: -0.153
local terms energy: -84.573663
where:
bonds (distance) C4'-P energy: -13.348
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -17.257
flat angles P-C4'-P energy: -12.784
tors. eta vs tors. theta energy: -23.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -220.366448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.366448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.366448 (E_RNA)
where:
Base-Base interactions energy: -146.352
where: short stacking energy: -72.877
Base-Backbone interact. energy: -0.260
local terms energy: -73.754707
where:
bonds (distance) C4'-P energy: -14.744
bonds (distance) P-C4' energy: -19.675
flat angles C4'-P-C4' energy: -19.444
flat angles P-C4'-P energy: -4.387
tors. eta vs tors. theta energy: -15.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -264.680299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.680299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.680299 (E_RNA)
where:
Base-Base interactions energy: -175.498
where: short stacking energy: -73.939
Base-Backbone interact. energy: -1.065
local terms energy: -88.118047
where:
bonds (distance) C4'-P energy: -18.401
bonds (distance) P-C4' energy: -13.518
flat angles C4'-P-C4' energy: -16.697
flat angles P-C4'-P energy: -13.617
tors. eta vs tors. theta energy: -25.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -97.892197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.892197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.892197 (E_RNA)
where:
Base-Base interactions energy: -34.406
where: short stacking energy: -30.081
Base-Backbone interact. energy: -0.817
local terms energy: -62.669480
where:
bonds (distance) C4'-P energy: -18.829
bonds (distance) P-C4' energy: -14.970
flat angles C4'-P-C4' energy: -11.814
flat angles P-C4'-P energy: -12.670
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: 9, replica: 7
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -100.763901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.763901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.763901 (E_RNA)
where:
Base-Base interactions energy: -43.232
where: short stacking energy: -42.837
Base-Backbone interact. energy: -0.596
local terms energy: -56.935753
where:
bonds (distance) C4'-P energy: -17.164
bonds (distance) P-C4' energy: -16.507
flat angles C4'-P-C4' energy: -9.633
flat angles P-C4'-P energy: -8.338
tors. eta vs tors. theta energy: -5.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -84.941865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.941865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.941865 (E_RNA)
where:
Base-Base interactions energy: -32.417
where: short stacking energy: -32.417
Base-Backbone interact. energy: -0.250
local terms energy: -52.274938
where:
bonds (distance) C4'-P energy: -18.311
bonds (distance) P-C4' energy: -19.006
flat angles C4'-P-C4' energy: -6.068
flat angles P-C4'-P energy: -7.830
tors. eta vs tors. theta energy: -1.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -289.521398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.521398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.521398 (E_RNA)
where:
Base-Base interactions energy: -193.733
where: short stacking energy: -75.469
Base-Backbone interact. energy: -1.370
local terms energy: -94.417727
where:
bonds (distance) C4'-P energy: -16.626
bonds (distance) P-C4' energy: -19.603
flat angles C4'-P-C4' energy: -18.372
flat angles P-C4'-P energy: -14.010
tors. eta vs tors. theta energy: -25.807
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -286.225323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.225323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.225323 (E_RNA)
where:
Base-Base interactions energy: -190.586
where: short stacking energy: -77.421
Base-Backbone interact. energy: -0.367
local terms energy: -95.272550
where:
bonds (distance) C4'-P energy: -20.885
bonds (distance) P-C4' energy: -17.420
flat angles C4'-P-C4' energy: -19.078
flat angles P-C4'-P energy: -12.389
tors. eta vs tors. theta energy: -25.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -277.643035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.643035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.643035 (E_RNA)
where:
Base-Base interactions energy: -189.307
where: short stacking energy: -81.812
Base-Backbone interact. energy: -0.038
local terms energy: -88.297502
where:
bonds (distance) C4'-P energy: -16.208
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -22.028
flat angles P-C4'-P energy: -12.655
tors. eta vs tors. theta energy: -21.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -271.773101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.773101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.773101 (E_RNA)
where:
Base-Base interactions energy: -194.842
where: short stacking energy: -70.382
Base-Backbone interact. energy: 1.029
local terms energy: -77.960473
where:
bonds (distance) C4'-P energy: -17.607
bonds (distance) P-C4' energy: -17.982
flat angles C4'-P-C4' energy: -12.252
flat angles P-C4'-P energy: -9.050
tors. eta vs tors. theta energy: -21.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -263.919407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.919407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.919407 (E_RNA)
where:
Base-Base interactions energy: -181.092
where: short stacking energy: -65.390
Base-Backbone interact. energy: -0.014
local terms energy: -82.812625
where:
bonds (distance) C4'-P energy: -18.772
bonds (distance) P-C4' energy: -14.769
flat angles C4'-P-C4' energy: -18.300
flat angles P-C4'-P energy: -7.177
tors. eta vs tors. theta energy: -23.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -198.868243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.868243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.868243 (E_RNA)
where:
Base-Base interactions energy: -132.477
where: short stacking energy: -62.541
Base-Backbone interact. energy: -0.133
local terms energy: -66.257845
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -10.901
flat angles C4'-P-C4' energy: -17.412
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -10.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -255.083516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.083516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.083516 (E_RNA)
where:
Base-Base interactions energy: -170.319
where: short stacking energy: -68.635
Base-Backbone interact. energy: -0.039
local terms energy: -84.725700
where:
bonds (distance) C4'-P energy: -15.401
bonds (distance) P-C4' energy: -15.854
flat angles C4'-P-C4' energy: -19.839
flat angles P-C4'-P energy: -12.810
tors. eta vs tors. theta energy: -20.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -110.461130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.461130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.461130 (E_RNA)
where:
Base-Base interactions energy: -54.412
where: short stacking energy: -46.720
Base-Backbone interact. energy: -0.300
local terms energy: -55.749592
where:
bonds (distance) C4'-P energy: -12.558
bonds (distance) P-C4' energy: -13.511
flat angles C4'-P-C4' energy: -15.592
flat angles P-C4'-P energy: -10.705
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: 6
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -132.742204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.742204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.742204 (E_RNA)
where:
Base-Base interactions energy: -77.943
where: short stacking energy: -36.492
Base-Backbone interact. energy: -0.380
local terms energy: -54.419258
where:
bonds (distance) C4'-P energy: -14.030
bonds (distance) P-C4' energy: -18.926
flat angles C4'-P-C4' energy: -14.463
flat angles P-C4'-P energy: -7.428
tors. eta vs tors. theta energy: 0.427
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: 7
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -88.418212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.418212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.418212 (E_RNA)
where:
Base-Base interactions energy: -26.670
where: short stacking energy: -21.907
Base-Backbone interact. energy: -0.350
local terms energy: -61.398028
where:
bonds (distance) C4'-P energy: -16.833
bonds (distance) P-C4' energy: -15.224
flat angles C4'-P-C4' energy: -15.769
flat angles P-C4'-P energy: -8.278
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: 1, replica: 9
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -291.340130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.340130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.340130 (E_RNA)
where:
Base-Base interactions energy: -197.372
where: short stacking energy: -80.819
Base-Backbone interact. energy: -0.145
local terms energy: -93.823803
where:
bonds (distance) C4'-P energy: -18.185
bonds (distance) P-C4' energy: -19.001
flat angles C4'-P-C4' energy: -18.105
flat angles P-C4'-P energy: -12.617
tors. eta vs tors. theta energy: -25.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -292.345894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.345894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.345894 (E_RNA)
where:
Base-Base interactions energy: -196.432
where: short stacking energy: -81.012
Base-Backbone interact. energy: -0.162
local terms energy: -95.751823
where:
bonds (distance) C4'-P energy: -15.789
bonds (distance) P-C4' energy: -18.893
flat angles C4'-P-C4' energy: -19.711
flat angles P-C4'-P energy: -14.525
tors. eta vs tors. theta energy: -26.834
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: 4
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -281.390938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.390938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.390938 (E_RNA)
where:
Base-Base interactions energy: -189.011
where: short stacking energy: -80.815
Base-Backbone interact. energy: -0.517
local terms energy: -91.862550
where:
bonds (distance) C4'-P energy: -19.304
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -18.583
flat angles P-C4'-P energy: -13.629
tors. eta vs tors. theta energy: -26.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -272.905333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.905333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.905333 (E_RNA)
where:
Base-Base interactions energy: -182.576
where: short stacking energy: -78.682
Base-Backbone interact. energy: 2.901
local terms energy: -93.231156
where:
bonds (distance) C4'-P energy: -20.592
bonds (distance) P-C4' energy: -19.259
flat angles C4'-P-C4' energy: -22.634
flat angles P-C4'-P energy: -7.200
tors. eta vs tors. theta energy: -23.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -270.850696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.850696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.850696 (E_RNA)
where:
Base-Base interactions energy: -189.801
where: short stacking energy: -62.454
Base-Backbone interact. energy: -0.241
local terms energy: -80.809294
where:
bonds (distance) C4'-P energy: -18.967
bonds (distance) P-C4' energy: -16.009
flat angles C4'-P-C4' energy: -18.398
flat angles P-C4'-P energy: -10.502
tors. eta vs tors. theta energy: -16.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -264.137168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.137168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.137168 (E_RNA)
where:
Base-Base interactions energy: -179.422
where: short stacking energy: -78.450
Base-Backbone interact. energy: -0.039
local terms energy: -84.676769
where:
bonds (distance) C4'-P energy: -19.015
bonds (distance) P-C4' energy: -10.796
flat angles C4'-P-C4' energy: -20.533
flat angles P-C4'-P energy: -10.845
tors. eta vs tors. theta energy: -23.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -199.276261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.276261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.276261 (E_RNA)
where:
Base-Base interactions energy: -123.264
where: short stacking energy: -46.357
Base-Backbone interact. energy: -0.382
local terms energy: -75.629500
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -22.001
flat angles C4'-P-C4' energy: -13.864
flat angles P-C4'-P energy: -6.892
tors. eta vs tors. theta energy: -16.658
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: 6
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -153.028470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.028470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.028470 (E_RNA)
where:
Base-Base interactions energy: -85.912
where: short stacking energy: -41.820
Base-Backbone interact. energy: -0.321
local terms energy: -66.795071
where:
bonds (distance) C4'-P energy: -18.551
bonds (distance) P-C4' energy: -18.322
flat angles C4'-P-C4' energy: -11.163
flat angles P-C4'-P energy: -6.425
tors. eta vs tors. theta energy: -12.335
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: 10
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -87.340361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.340361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.340361 (E_RNA)
where:
Base-Base interactions energy: -42.449
where: short stacking energy: -35.202
Base-Backbone interact. energy: 0.478
local terms energy: -45.369421
where:
bonds (distance) C4'-P energy: -12.866
bonds (distance) P-C4' energy: -17.807
flat angles C4'-P-C4' energy: -11.127
flat angles P-C4'-P energy: -5.567
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: 10, replica: 7
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -131.111747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.111747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.111747 (E_RNA)
where:
Base-Base interactions energy: -75.260
where: short stacking energy: -34.925
Base-Backbone interact. energy: -0.246
local terms energy: -55.606240
where:
bonds (distance) C4'-P energy: -10.143
bonds (distance) P-C4' energy: -12.752
flat angles C4'-P-C4' energy: -15.735
flat angles P-C4'-P energy: -12.777
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: 1, replica: 9
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -303.689057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -303.689057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -303.689057 (E_RNA)
where:
Base-Base interactions energy: -212.062
where: short stacking energy: -78.728
Base-Backbone interact. energy: 0.404
local terms energy: -92.030683
where:
bonds (distance) C4'-P energy: -13.637
bonds (distance) P-C4' energy: -18.202
flat angles C4'-P-C4' energy: -20.307
flat angles P-C4'-P energy: -15.616
tors. eta vs tors. theta energy: -24.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -288.362004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.362004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.362004 (E_RNA)
where:
Base-Base interactions energy: -191.877
where: short stacking energy: -77.854
Base-Backbone interact. energy: -2.541
local terms energy: -93.944337
where:
bonds (distance) C4'-P energy: -19.573
bonds (distance) P-C4' energy: -15.765
flat angles C4'-P-C4' energy: -19.857
flat angles P-C4'-P energy: -14.622
tors. eta vs tors. theta energy: -24.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -284.059775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.059775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.059775 (E_RNA)
where:
Base-Base interactions energy: -188.348
where: short stacking energy: -76.380
Base-Backbone interact. energy: -1.129
local terms energy: -94.582318
where:
bonds (distance) C4'-P energy: -15.370
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -21.588
flat angles P-C4'-P energy: -15.071
tors. eta vs tors. theta energy: -24.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -270.710765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.710765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.710765 (E_RNA)
where:
Base-Base interactions energy: -184.758
where: short stacking energy: -71.521
Base-Backbone interact. energy: -0.535
local terms energy: -85.418027
where:
bonds (distance) C4'-P energy: -19.274
bonds (distance) P-C4' energy: -19.787
flat angles C4'-P-C4' energy: -16.488
flat angles P-C4'-P energy: -9.347
tors. eta vs tors. theta energy: -20.522
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: 8
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -267.245045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.245045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.245045 (E_RNA)
where:
Base-Base interactions energy: -186.047
where: short stacking energy: -77.552
Base-Backbone interact. energy: -0.648
local terms energy: -80.549643
where:
bonds (distance) C4'-P energy: -9.013
bonds (distance) P-C4' energy: -19.706
flat angles C4'-P-C4' energy: -15.024
flat angles P-C4'-P energy: -12.181
tors. eta vs tors. theta energy: -24.625
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: 3
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -259.878497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.878497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.878497 (E_RNA)
where:
Base-Base interactions energy: -172.328
where: short stacking energy: -68.204
Base-Backbone interact. energy: -0.213
local terms energy: -87.337242
where:
bonds (distance) C4'-P energy: -19.139
bonds (distance) P-C4' energy: -17.855
flat angles C4'-P-C4' energy: -15.797
flat angles P-C4'-P energy: -13.429
tors. eta vs tors. theta energy: -21.118
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: 2
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -193.184694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.184694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.184694 (E_RNA)
where:
Base-Base interactions energy: -134.587
where: short stacking energy: -48.773
Base-Backbone interact. energy: -1.298
local terms energy: -57.300361
where:
bonds (distance) C4'-P energy: -14.010
bonds (distance) P-C4' energy: -14.912
flat angles C4'-P-C4' energy: -15.447
flat angles P-C4'-P energy: -9.798
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: 8, replica: 6
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -153.977406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.977406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.977406 (E_RNA)
where:
Base-Base interactions energy: -90.576
where: short stacking energy: -39.523
Base-Backbone interact. energy: -0.138
local terms energy: -63.263831
where:
bonds (distance) C4'-P energy: -15.206
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -12.105
flat angles P-C4'-P energy: -12.102
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: 9, replica: 7
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -139.688418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.688418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.688418 (E_RNA)
where:
Base-Base interactions energy: -73.443
where: short stacking energy: -40.183
Base-Backbone interact. energy: 0.196
local terms energy: -66.442157
where:
bonds (distance) C4'-P energy: -19.056
bonds (distance) P-C4' energy: -16.164
flat angles C4'-P-C4' energy: -17.706
flat angles P-C4'-P energy: -3.000
tors. eta vs tors. theta energy: -10.516
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: 10
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -89.559348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.559348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.559348 (E_RNA)
where:
Base-Base interactions energy: -38.829
where: short stacking energy: -35.954
Base-Backbone interact. energy: -1.201
local terms energy: -49.528991
where:
bonds (distance) C4'-P energy: -12.186
bonds (distance) P-C4' energy: -15.787
flat angles C4'-P-C4' energy: -8.616
flat angles P-C4'-P energy: -9.383
tors. eta vs tors. theta energy: -3.556
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -295.151255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.151255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.151255 (E_RNA)
where:
Base-Base interactions energy: -197.094
where: short stacking energy: -76.261
Base-Backbone interact. energy: -0.254
local terms energy: -97.802776
where:
bonds (distance) C4'-P energy: -18.300
bonds (distance) P-C4' energy: -19.167
flat angles C4'-P-C4' energy: -15.787
flat angles P-C4'-P energy: -14.870
tors. eta vs tors. theta energy: -29.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -290.788028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.788028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.788028 (E_RNA)
where:
Base-Base interactions energy: -197.870
where: short stacking energy: -68.461
Base-Backbone interact. energy: -0.368
local terms energy: -92.550545
where:
bonds (distance) C4'-P energy: -19.454
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -19.837
flat angles P-C4'-P energy: -13.569
tors. eta vs tors. theta energy: -23.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -280.325603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.325603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.325603 (E_RNA)
where:
Base-Base interactions energy: -190.975
where: short stacking energy: -77.292
Base-Backbone interact. energy: -0.051
local terms energy: -89.299505
where:
bonds (distance) C4'-P energy: -10.652
bonds (distance) P-C4' energy: -18.839
flat angles C4'-P-C4' energy: -18.483
flat angles P-C4'-P energy: -15.644
tors. eta vs tors. theta energy: -25.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -274.976736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.976736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.976736 (E_RNA)
where:
Base-Base interactions energy: -186.532
where: short stacking energy: -70.489
Base-Backbone interact. energy: -0.274
local terms energy: -88.170260
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -17.692
flat angles C4'-P-C4' energy: -18.413
flat angles P-C4'-P energy: -12.514
tors. eta vs tors. theta energy: -24.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -272.491029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.491029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.491029 (E_RNA)
where:
Base-Base interactions energy: -187.307
where: short stacking energy: -66.899
Base-Backbone interact. energy: 0.070
local terms energy: -85.253114
where:
bonds (distance) C4'-P energy: -17.760
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -18.755
flat angles P-C4'-P energy: -10.666
tors. eta vs tors. theta energy: -22.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -260.727695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.727695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.727695 (E_RNA)
where:
Base-Base interactions energy: -175.170
where: short stacking energy: -82.036
Base-Backbone interact. energy: -0.613
local terms energy: -84.945086
where:
bonds (distance) C4'-P energy: -15.290
bonds (distance) P-C4' energy: -12.334
flat angles C4'-P-C4' energy: -20.407
flat angles P-C4'-P energy: -13.630
tors. eta vs tors. theta energy: -23.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -203.156108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.156108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.156108 (E_RNA)
where:
Base-Base interactions energy: -127.496
where: short stacking energy: -53.172
Base-Backbone interact. energy: -0.052
local terms energy: -75.608260
where:
bonds (distance) C4'-P energy: -16.874
bonds (distance) P-C4' energy: -18.420
flat angles C4'-P-C4' energy: -19.573
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -10.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -182.866877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.866877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.866877 (E_RNA)
where:
Base-Base interactions energy: -109.502
where: short stacking energy: -46.135
Base-Backbone interact. energy: -1.117
local terms energy: -72.247080
where:
bonds (distance) C4'-P energy: -17.520
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -12.846
tors. eta vs tors. theta energy: -9.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -96.460661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.460661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.460661 (E_RNA)
where:
Base-Base interactions energy: -36.842
where: short stacking energy: -34.045
Base-Backbone interact. energy: -0.063
local terms energy: -59.555844
where:
bonds (distance) C4'-P energy: -14.647
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -15.110
flat angles P-C4'-P energy: -12.844
tors. eta vs tors. theta energy: -3.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -85.570649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.570649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.570649 (E_RNA)
where:
Base-Base interactions energy: -36.002
where: short stacking energy: -30.415
Base-Backbone interact. energy: -0.485
local terms energy: -49.083552
where:
bonds (distance) C4'-P energy: -14.126
bonds (distance) P-C4' energy: -11.744
flat angles C4'-P-C4' energy: -11.160
flat angles P-C4'-P energy: -13.846
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: 1, replica: 5
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -301.302270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -301.302270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -301.302270 (E_RNA)
where:
Base-Base interactions energy: -197.036
where: short stacking energy: -79.975
Base-Backbone interact. energy: -0.311
local terms energy: -103.955706
where:
bonds (distance) C4'-P energy: -16.368
bonds (distance) P-C4' energy: -21.024
flat angles C4'-P-C4' energy: -22.322
flat angles P-C4'-P energy: -15.256
tors. eta vs tors. theta energy: -28.986
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: 2, replica: 9
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -283.264452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.264452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.264452 (E_RNA)
where:
Base-Base interactions energy: -188.332
where: short stacking energy: -77.241
Base-Backbone interact. energy: -0.009
local terms energy: -94.923404
where:
bonds (distance) C4'-P energy: -18.534
bonds (distance) P-C4' energy: -17.092
flat angles C4'-P-C4' energy: -19.532
flat angles P-C4'-P energy: -12.802
tors. eta vs tors. theta energy: -26.963
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: 450
Temperature: 1.000000
Total energy: -288.630353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.630353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.630353 (E_RNA)
where:
Base-Base interactions energy: -201.431
where: short stacking energy: -84.961
Base-Backbone interact. energy: -0.122
local terms energy: -87.077633
where:
bonds (distance) C4'-P energy: -17.805
bonds (distance) P-C4' energy: -12.879
flat angles C4'-P-C4' energy: -20.142
flat angles P-C4'-P energy: -10.495
tors. eta vs tors. theta energy: -25.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -274.928312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.928312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.928312 (E_RNA)
where:
Base-Base interactions energy: -188.773
where: short stacking energy: -77.329
Base-Backbone interact. energy: -0.651
local terms energy: -85.504497
where:
bonds (distance) C4'-P energy: -17.055
bonds (distance) P-C4' energy: -15.703
flat angles C4'-P-C4' energy: -20.000
flat angles P-C4'-P energy: -13.131
tors. eta vs tors. theta energy: -19.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -269.172696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.172696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.172696 (E_RNA)
where:
Base-Base interactions energy: -190.348
where: short stacking energy: -75.238
Base-Backbone interact. energy: -0.095
local terms energy: -78.730208
where:
bonds (distance) C4'-P energy: -13.795
bonds (distance) P-C4' energy: -17.426
flat angles C4'-P-C4' energy: -16.543
flat angles P-C4'-P energy: -12.988
tors. eta vs tors. theta energy: -17.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -265.220606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.220606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.220606 (E_RNA)
where:
Base-Base interactions energy: -184.875
where: short stacking energy: -78.175
Base-Backbone interact. energy: -0.052
local terms energy: -80.293173
where:
bonds (distance) C4'-P energy: -12.050
bonds (distance) P-C4' energy: -19.906
flat angles C4'-P-C4' energy: -14.742
flat angles P-C4'-P energy: -11.691
tors. eta vs tors. theta energy: -21.903
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: 7, replica: 2
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -223.277694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.277694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.277694 (E_RNA)
where:
Base-Base interactions energy: -147.898
where: short stacking energy: -67.879
Base-Backbone interact. energy: -0.080
local terms energy: -75.299187
where:
bonds (distance) C4'-P energy: -18.107
bonds (distance) P-C4' energy: -20.348
flat angles C4'-P-C4' energy: -9.424
flat angles P-C4'-P energy: -11.683
tors. eta vs tors. theta energy: -15.737
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: 6
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -195.528313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.528313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.528313 (E_RNA)
where:
Base-Base interactions energy: -124.388
where: short stacking energy: -52.348
Base-Backbone interact. energy: -1.003
local terms energy: -70.137697
where:
bonds (distance) C4'-P energy: -16.534
bonds (distance) P-C4' energy: -9.946
flat angles C4'-P-C4' energy: -19.575
flat angles P-C4'-P energy: -11.033
tors. eta vs tors. theta energy: -13.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -92.669193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.669193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.669193 (E_RNA)
where:
Base-Base interactions energy: -35.172
where: short stacking energy: -32.541
Base-Backbone interact. energy: -0.072
local terms energy: -57.425327
where:
bonds (distance) C4'-P energy: -12.267
bonds (distance) P-C4' energy: -17.403
flat angles C4'-P-C4' energy: -16.949
flat angles P-C4'-P energy: -3.255
tors. eta vs tors. theta energy: -7.552
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: 10
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -82.883582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.883582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.883582 (E_RNA)
where:
Base-Base interactions energy: -25.332
where: short stacking energy: -25.332
Base-Backbone interact. energy: 0.248
local terms energy: -57.799130
where:
bonds (distance) C4'-P energy: -14.416
bonds (distance) P-C4' energy: -13.462
flat angles C4'-P-C4' energy: -13.023
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -7.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -289.086219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.086219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.086219 (E_RNA)
where:
Base-Base interactions energy: -192.765
where: short stacking energy: -77.570
Base-Backbone interact. energy: -0.709
local terms energy: -95.612044
where:
bonds (distance) C4'-P energy: -17.617
bonds (distance) P-C4' energy: -20.889
flat angles C4'-P-C4' energy: -20.764
flat angles P-C4'-P energy: -14.258
tors. eta vs tors. theta energy: -22.084
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -285.068112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.068112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.068112 (E_RNA)
where:
Base-Base interactions energy: -188.094
where: short stacking energy: -76.124
Base-Backbone interact. energy: -0.012
local terms energy: -96.962262
where:
bonds (distance) C4'-P energy: -18.816
bonds (distance) P-C4' energy: -20.725
flat angles C4'-P-C4' energy: -19.734
flat angles P-C4'-P energy: -13.175
tors. eta vs tors. theta energy: -24.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -280.003899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.003899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.003899 (E_RNA)
where:
Base-Base interactions energy: -188.100
where: short stacking energy: -81.379
Base-Backbone interact. energy: -1.039
local terms energy: -90.864054
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -18.498
flat angles C4'-P-C4' energy: -19.955
flat angles P-C4'-P energy: -11.824
tors. eta vs tors. theta energy: -26.038
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: 451
Temperature: 1.050000
Total energy: -281.788081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.788081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.788081 (E_RNA)
where:
Base-Base interactions energy: -192.316
where: short stacking energy: -81.107
Base-Backbone interact. energy: -0.001
local terms energy: -89.471315
where:
bonds (distance) C4'-P energy: -12.433
bonds (distance) P-C4' energy: -15.232
flat angles C4'-P-C4' energy: -21.103
flat angles P-C4'-P energy: -14.664
tors. eta vs tors. theta energy: -26.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -276.004257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.004257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.004257 (E_RNA)
where:
Base-Base interactions energy: -178.139
where: short stacking energy: -73.269
Base-Backbone interact. energy: -0.462
local terms energy: -97.403233
where:
bonds (distance) C4'-P energy: -20.067
bonds (distance) P-C4' energy: -19.710
flat angles C4'-P-C4' energy: -16.837
flat angles P-C4'-P energy: -15.141
tors. eta vs tors. theta energy: -25.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -264.760129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.760129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.760129 (E_RNA)
where:
Base-Base interactions energy: -177.207
where: short stacking energy: -65.537
Base-Backbone interact. energy: -0.110
local terms energy: -87.442670
where:
bonds (distance) C4'-P energy: -17.884
bonds (distance) P-C4' energy: -13.424
flat angles C4'-P-C4' energy: -17.380
flat angles P-C4'-P energy: -12.704
tors. eta vs tors. theta energy: -26.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -202.996349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.996349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.996349 (E_RNA)
where:
Base-Base interactions energy: -129.671
where: short stacking energy: -54.383
Base-Backbone interact. energy: -0.791
local terms energy: -72.534775
where:
bonds (distance) C4'-P energy: -12.573
bonds (distance) P-C4' energy: -19.303
flat angles C4'-P-C4' energy: -15.356
flat angles P-C4'-P energy: -10.914
tors. eta vs tors. theta energy: -14.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -163.541863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.541863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.541863 (E_RNA)
where:
Base-Base interactions energy: -100.951
where: short stacking energy: -36.760
Base-Backbone interact. energy: -0.118
local terms energy: -62.473039
where:
bonds (distance) C4'-P energy: -20.559
bonds (distance) P-C4' energy: -12.783
flat angles C4'-P-C4' energy: -11.343
flat angles P-C4'-P energy: -7.681
tors. eta vs tors. theta energy: -10.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -91.485179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.485179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.485179 (E_RNA)
where:
Base-Base interactions energy: -48.614
where: short stacking energy: -28.560
Base-Backbone interact. energy: -0.226
local terms energy: -42.644501
where:
bonds (distance) C4'-P energy: -6.326
bonds (distance) P-C4' energy: -20.676
flat angles C4'-P-C4' energy: -11.418
flat angles P-C4'-P energy: -4.739
tors. eta vs tors. theta energy: 0.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -99.033115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.033115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.033115 (E_RNA)
where:
Base-Base interactions energy: -38.692
where: short stacking energy: -25.702
Base-Backbone interact. energy: -0.052
local terms energy: -60.290052
where:
bonds (distance) C4'-P energy: -16.538
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -17.235
flat angles P-C4'-P energy: -5.428
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: 1, replica: 8
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -291.884163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.884163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.884163 (E_RNA)
where:
Base-Base interactions energy: -195.022
where: short stacking energy: -86.101
Base-Backbone interact. energy: -0.045
local terms energy: -96.816980
where:
bonds (distance) C4'-P energy: -16.854
bonds (distance) P-C4' energy: -18.948
flat angles C4'-P-C4' energy: -17.539
flat angles P-C4'-P energy: -16.693
tors. eta vs tors. theta energy: -26.783
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: 2, replica: 5
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -286.621373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.621373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.621373 (E_RNA)
where:
Base-Base interactions energy: -190.165
where: short stacking energy: -76.006
Base-Backbone interact. energy: -0.869
local terms energy: -95.587411
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -20.929
flat angles C4'-P-C4' energy: -21.493
flat angles P-C4'-P energy: -13.032
tors. eta vs tors. theta energy: -24.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -285.761935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.761935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.761935 (E_RNA)
where:
Base-Base interactions energy: -182.846
where: short stacking energy: -79.312
Base-Backbone interact. energy: -1.885
local terms energy: -101.030383
where:
bonds (distance) C4'-P energy: -20.431
bonds (distance) P-C4' energy: -17.741
flat angles C4'-P-C4' energy: -20.741
flat angles P-C4'-P energy: -15.819
tors. eta vs tors. theta energy: -26.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -286.592670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.592670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.592670 (E_RNA)
where:
Base-Base interactions energy: -197.927
where: short stacking energy: -85.205
Base-Backbone interact. energy: 0.221
local terms energy: -88.886524
where:
bonds (distance) C4'-P energy: -15.024
bonds (distance) P-C4' energy: -16.063
flat angles C4'-P-C4' energy: -20.346
flat angles P-C4'-P energy: -13.173
tors. eta vs tors. theta energy: -24.280
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: 4
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -269.042503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.042503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.042503 (E_RNA)
where:
Base-Base interactions energy: -182.133
where: short stacking energy: -70.780
Base-Backbone interact. energy: 1.349
local terms energy: -88.259199
where:
bonds (distance) C4'-P energy: -18.890
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -19.288
flat angles P-C4'-P energy: -13.393
tors. eta vs tors. theta energy: -21.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 452
Temperature: 1.150000
Total energy: -276.836508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.836508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.836508 (E_RNA)
where:
Base-Base interactions energy: -184.666
where: short stacking energy: -80.886
Base-Backbone interact. energy: 1.049
local terms energy: -93.219667
where:
bonds (distance) C4'-P energy: -20.832
bonds (distance) P-C4' energy: -18.535
flat angles C4'-P-C4' energy: -15.706
flat angles P-C4'-P energy: -13.116
tors. eta vs tors. theta energy: -25.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -181.730909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.730909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.730909 (E_RNA)
where:
Base-Base interactions energy: -99.631
where: short stacking energy: -47.271
Base-Backbone interact. energy: 1.274
local terms energy: -83.373299
where:
bonds (distance) C4'-P energy: -16.181
bonds (distance) P-C4' energy: -19.068
flat angles C4'-P-C4' energy: -19.784
flat angles P-C4'-P energy: -13.523
tors. eta vs tors. theta energy: -14.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -183.960772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.960772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.960772 (E_RNA)
where:
Base-Base interactions energy: -123.802
where: short stacking energy: -59.117
Base-Backbone interact. energy: -1.156
local terms energy: -59.002432
where:
bonds (distance) C4'-P energy: -13.666
bonds (distance) P-C4' energy: -12.272
flat angles C4'-P-C4' energy: -14.411
flat angles P-C4'-P energy: -7.803
tors. eta vs tors. theta energy: -10.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -92.662287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.662287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.662287 (E_RNA)
where:
Base-Base interactions energy: -37.793
where: short stacking energy: -20.353
Base-Backbone interact. energy: -1.155
local terms energy: -53.714830
where:
bonds (distance) C4'-P energy: -16.817
bonds (distance) P-C4' energy: -15.266
flat angles C4'-P-C4' energy: -18.564
flat angles P-C4'-P energy: -9.604
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: 10, replica: 10
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -89.443845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.443845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.443845 (E_RNA)
where:
Base-Base interactions energy: -29.961
where: short stacking energy: -27.728
Base-Backbone interact. energy: -0.172
local terms energy: -59.310459
where:
bonds (distance) C4'-P energy: -16.911
bonds (distance) P-C4' energy: -13.597
flat angles C4'-P-C4' energy: -15.792
flat angles P-C4'-P energy: -7.132
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: 1, replica: 8
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -291.247995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.247995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.247995 (E_RNA)
where:
Base-Base interactions energy: -193.835
where: short stacking energy: -76.360
Base-Backbone interact. energy: -1.384
local terms energy: -96.029262
where:
bonds (distance) C4'-P energy: -17.910
bonds (distance) P-C4' energy: -21.923
flat angles C4'-P-C4' energy: -19.150
flat angles P-C4'-P energy: -13.460
tors. eta vs tors. theta energy: -23.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -285.637591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.637591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.637591 (E_RNA)
where:
Base-Base interactions energy: -194.590
where: short stacking energy: -79.504
Base-Backbone interact. energy: -0.151
local terms energy: -90.897231
where:
bonds (distance) C4'-P energy: -18.153
bonds (distance) P-C4' energy: -18.849
flat angles C4'-P-C4' energy: -19.815
flat angles P-C4'-P energy: -10.578
tors. eta vs tors. theta energy: -23.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -286.393006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.393006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.393006 (E_RNA)
where:
Base-Base interactions energy: -195.847
where: short stacking energy: -82.032
Base-Backbone interact. energy: -0.133
local terms energy: -90.412995
where:
bonds (distance) C4'-P energy: -16.104
bonds (distance) P-C4' energy: -12.541
flat angles C4'-P-C4' energy: -18.498
flat angles P-C4'-P energy: -15.783
tors. eta vs tors. theta energy: -27.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 453
Temperature: 1.050000
Total energy: -281.986991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.986991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.986991 (E_RNA)
where:
Base-Base interactions energy: -196.878
where: short stacking energy: -74.587
Base-Backbone interact. energy: -1.919
local terms energy: -83.190475
where:
bonds (distance) C4'-P energy: -19.208
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -15.205
flat angles P-C4'-P energy: -10.097
tors. eta vs tors. theta energy: -22.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -262.878972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.878972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.878972 (E_RNA)
where:
Base-Base interactions energy: -171.994
where: short stacking energy: -75.222
Base-Backbone interact. energy: -0.101
local terms energy: -90.784083
where:
bonds (distance) C4'-P energy: -14.402
bonds (distance) P-C4' energy: -20.011
flat angles C4'-P-C4' energy: -17.726
flat angles P-C4'-P energy: -11.979
tors. eta vs tors. theta energy: -26.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -266.964039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.964039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.964039 (E_RNA)
where:
Base-Base interactions energy: -187.668
where: short stacking energy: -74.090
Base-Backbone interact. energy: -1.735
local terms energy: -77.560238
where:
bonds (distance) C4'-P energy: -11.980
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -16.837
flat angles P-C4'-P energy: -9.584
tors. eta vs tors. theta energy: -22.192
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: 453
Temperature: 1.200000
Total energy: -166.046529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.046529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.046529 (E_RNA)
where:
Base-Base interactions energy: -100.689
where: short stacking energy: -51.081
Base-Backbone interact. energy: 0.159
local terms energy: -65.517086
where:
bonds (distance) C4'-P energy: -14.953
bonds (distance) P-C4' energy: -17.966
flat angles C4'-P-C4' energy: -8.917
flat angles P-C4'-P energy: -14.216
tors. eta vs tors. theta energy: -9.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -163.933691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.933691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.933691 (E_RNA)
where:
Base-Base interactions energy: -92.245
where: short stacking energy: -41.933
Base-Backbone interact. energy: -0.790
local terms energy: -70.898808
where:
bonds (distance) C4'-P energy: -16.415
bonds (distance) P-C4' energy: -20.155
flat angles C4'-P-C4' energy: -15.834
flat angles P-C4'-P energy: -9.392
tors. eta vs tors. theta energy: -9.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -96.897579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.897579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.897579 (E_RNA)
where:
Base-Base interactions energy: -42.291
where: short stacking energy: -37.770
Base-Backbone interact. energy: -0.491
local terms energy: -54.115649
where:
bonds (distance) C4'-P energy: -9.524
bonds (distance) P-C4' energy: -19.528
flat angles C4'-P-C4' energy: -11.470
flat angles P-C4'-P energy: -13.369
tors. eta vs tors. theta energy: -0.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -84.372035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.372035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.372035 (E_RNA)
where:
Base-Base interactions energy: -31.113
where: short stacking energy: -27.918
Base-Backbone interact. energy: -0.764
local terms energy: -52.495018
where:
bonds (distance) C4'-P energy: -16.518
bonds (distance) P-C4' energy: -11.498
flat angles C4'-P-C4' energy: -12.295
flat angles P-C4'-P energy: -12.551
tors. eta vs tors. theta energy: 0.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -289.052474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.052474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.052474 (E_RNA)
where:
Base-Base interactions energy: -193.871
where: short stacking energy: -85.390
Base-Backbone interact. energy: -0.001
local terms energy: -95.180673
where:
bonds (distance) C4'-P energy: -19.835
bonds (distance) P-C4' energy: -16.738
flat angles C4'-P-C4' energy: -20.631
flat angles P-C4'-P energy: -12.499
tors. eta vs tors. theta energy: -25.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -287.831484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.831484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.831484 (E_RNA)
where:
Base-Base interactions energy: -197.157
where: short stacking energy: -85.697
Base-Backbone interact. energy: -0.006
local terms energy: -90.668333
where:
bonds (distance) C4'-P energy: -19.102
bonds (distance) P-C4' energy: -15.074
flat angles C4'-P-C4' energy: -20.593
flat angles P-C4'-P energy: -10.358
tors. eta vs tors. theta energy: -25.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -284.651727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.651727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.651727 (E_RNA)
where:
Base-Base interactions energy: -190.170
where: short stacking energy: -83.904
Base-Backbone interact. energy: 0.226
local terms energy: -94.707341
where:
bonds (distance) C4'-P energy: -12.941
bonds (distance) P-C4' energy: -19.941
flat angles C4'-P-C4' energy: -20.046
flat angles P-C4'-P energy: -14.137
tors. eta vs tors. theta energy: -27.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -278.714690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.714690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.714690 (E_RNA)
where:
Base-Base interactions energy: -187.542
where: short stacking energy: -74.502
Base-Backbone interact. energy: -0.004
local terms energy: -91.167904
where:
bonds (distance) C4'-P energy: -13.978
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -20.488
flat angles P-C4'-P energy: -13.814
tors. eta vs tors. theta energy: -27.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -275.949393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.949393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.949393 (E_RNA)
where:
Base-Base interactions energy: -186.174
where: short stacking energy: -79.419
Base-Backbone interact. energy: -0.226
local terms energy: -89.549196
where:
bonds (distance) C4'-P energy: -18.898
bonds (distance) P-C4' energy: -18.946
flat angles C4'-P-C4' energy: -14.743
flat angles P-C4'-P energy: -11.046
tors. eta vs tors. theta energy: -25.916
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: 1
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -270.835798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.835798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.835798 (E_RNA)
where:
Base-Base interactions energy: -174.797
where: short stacking energy: -66.479
Base-Backbone interact. energy: -1.850
local terms energy: -94.188619
where:
bonds (distance) C4'-P energy: -18.373
bonds (distance) P-C4' energy: -20.390
flat angles C4'-P-C4' energy: -18.472
flat angles P-C4'-P energy: -13.317
tors. eta vs tors. theta energy: -23.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -165.713588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.713588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.713588 (E_RNA)
where:
Base-Base interactions energy: -105.860
where: short stacking energy: -53.333
Base-Backbone interact. energy: -0.136
local terms energy: -59.718133
where:
bonds (distance) C4'-P energy: -15.487
bonds (distance) P-C4' energy: -13.526
flat angles C4'-P-C4' energy: -10.763
flat angles P-C4'-P energy: -8.479
tors. eta vs tors. theta energy: -11.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -197.877886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.877886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.877886 (E_RNA)
where:
Base-Base interactions energy: -135.316
where: short stacking energy: -51.820
Base-Backbone interact. energy: -0.077
local terms energy: -62.484889
where:
bonds (distance) C4'-P energy: -9.050
bonds (distance) P-C4' energy: -10.058
flat angles C4'-P-C4' energy: -18.158
flat angles P-C4'-P energy: -10.307
tors. eta vs tors. theta energy: -14.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -91.676180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.676180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.676180 (E_RNA)
where:
Base-Base interactions energy: -38.555
where: short stacking energy: -29.087
Base-Backbone interact. energy: 1.196
local terms energy: -54.317494
where:
bonds (distance) C4'-P energy: -18.799
bonds (distance) P-C4' energy: -20.308
flat angles C4'-P-C4' energy: -11.904
flat angles P-C4'-P energy: -4.696
tors. eta vs tors. theta energy: 1.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -96.021242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.021242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.021242 (E_RNA)
where:
Base-Base interactions energy: -41.949
where: short stacking energy: -20.688
Base-Backbone interact. energy: -0.331
local terms energy: -53.741155
where:
bonds (distance) C4'-P energy: -19.550
bonds (distance) P-C4' energy: -15.505
flat angles C4'-P-C4' energy: -11.660
flat angles P-C4'-P energy: -7.780
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: 1, replica: 5
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -293.354398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.354398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.354398 (E_RNA)
where:
Base-Base interactions energy: -196.350
where: short stacking energy: -84.961
Base-Backbone interact. energy: -0.155
local terms energy: -96.849268
where:
bonds (distance) C4'-P energy: -19.483
bonds (distance) P-C4' energy: -18.741
flat angles C4'-P-C4' energy: -21.305
flat angles P-C4'-P energy: -12.376
tors. eta vs tors. theta energy: -24.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -286.035567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.035567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.035567 (E_RNA)
where:
Base-Base interactions energy: -188.013
where: short stacking energy: -84.755
Base-Backbone interact. energy: -0.004
local terms energy: -98.018961
where:
bonds (distance) C4'-P energy: -14.477
bonds (distance) P-C4' energy: -20.442
flat angles C4'-P-C4' energy: -21.382
flat angles P-C4'-P energy: -13.423
tors. eta vs tors. theta energy: -28.294
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: 8
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -280.816735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.816735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.816735 (E_RNA)
where:
Base-Base interactions energy: -187.956
where: short stacking energy: -81.983
Base-Backbone interact. energy: -0.023
local terms energy: -92.837166
where:
bonds (distance) C4'-P energy: -14.954
bonds (distance) P-C4' energy: -22.849
flat angles C4'-P-C4' energy: -21.847
flat angles P-C4'-P energy: -7.716
tors. eta vs tors. theta energy: -25.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -256.962397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.962397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.962397 (E_RNA)
where:
Base-Base interactions energy: -172.391
where: short stacking energy: -74.914
Base-Backbone interact. energy: -0.055
local terms energy: -84.516737
where:
bonds (distance) C4'-P energy: -16.419
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -18.961
flat angles P-C4'-P energy: -11.433
tors. eta vs tors. theta energy: -21.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -274.116019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.116019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.116019 (E_RNA)
where:
Base-Base interactions energy: -181.384
where: short stacking energy: -71.451
Base-Backbone interact. energy: -0.037
local terms energy: -92.695109
where:
bonds (distance) C4'-P energy: -17.032
bonds (distance) P-C4' energy: -15.788
flat angles C4'-P-C4' energy: -19.708
flat angles P-C4'-P energy: -14.109
tors. eta vs tors. theta energy: -26.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -264.465397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.465397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.465397 (E_RNA)
where:
Base-Base interactions energy: -179.474
where: short stacking energy: -72.237
Base-Backbone interact. energy: -0.024
local terms energy: -84.967817
where:
bonds (distance) C4'-P energy: -16.302
bonds (distance) P-C4' energy: -13.631
flat angles C4'-P-C4' energy: -18.713
flat angles P-C4'-P energy: -12.413
tors. eta vs tors. theta energy: -23.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -184.727549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.727549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.727549 (E_RNA)
where:
Base-Base interactions energy: -121.687
where: short stacking energy: -53.770
Base-Backbone interact. energy: -0.423
local terms energy: -62.617013
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -9.398
flat angles C4'-P-C4' energy: -20.329
flat angles P-C4'-P energy: -4.549
tors. eta vs tors. theta energy: -11.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -168.661260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.661260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.661260 (E_RNA)
where:
Base-Base interactions energy: -91.747
where: short stacking energy: -49.053
Base-Backbone interact. energy: -1.303
local terms energy: -75.611224
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -19.505
flat angles C4'-P-C4' energy: -17.281
flat angles P-C4'-P energy: -12.921
tors. eta vs tors. theta energy: -8.798
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: 10
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -93.767698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.767698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.767698 (E_RNA)
where:
Base-Base interactions energy: -28.008
where: short stacking energy: -25.829
Base-Backbone interact. energy: -0.127
local terms energy: -65.632692
where:
bonds (distance) C4'-P energy: -15.772
bonds (distance) P-C4' energy: -17.724
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -11.511
tors. eta vs tors. theta energy: -7.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -95.597772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.597772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.597772 (E_RNA)
where:
Base-Base interactions energy: -26.974
where: short stacking energy: -25.973
Base-Backbone interact. energy: -0.148
local terms energy: -68.475805
where:
bonds (distance) C4'-P energy: -19.403
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -18.389
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: -2.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 456
Temperature: 0.900000
Total energy: -292.068584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.068584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.068584 (E_RNA)
where:
Base-Base interactions energy: -197.106
where: short stacking energy: -84.114
Base-Backbone interact. energy: -0.132
local terms energy: -94.830554
where:
bonds (distance) C4'-P energy: -14.473
bonds (distance) P-C4' energy: -18.269
flat angles C4'-P-C4' energy: -18.022
flat angles P-C4'-P energy: -14.285
tors. eta vs tors. theta energy: -29.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -290.079930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.079930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.079930 (E_RNA)
where:
Base-Base interactions energy: -198.763
where: short stacking energy: -71.961
Base-Backbone interact. energy: -1.349
local terms energy: -89.967795
where:
bonds (distance) C4'-P energy: -16.121
bonds (distance) P-C4' energy: -20.288
flat angles C4'-P-C4' energy: -18.111
flat angles P-C4'-P energy: -12.908
tors. eta vs tors. theta energy: -22.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -270.515734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.515734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.515734 (E_RNA)
where:
Base-Base interactions energy: -182.843
where: short stacking energy: -75.107
Base-Backbone interact. energy: -0.840
local terms energy: -86.832129
where:
bonds (distance) C4'-P energy: -17.583
bonds (distance) P-C4' energy: -20.090
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -10.677
tors. eta vs tors. theta energy: -24.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -270.049568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.049568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.049568 (E_RNA)
where:
Base-Base interactions energy: -185.073
where: short stacking energy: -68.070
Base-Backbone interact. energy: -0.032
local terms energy: -84.945174
where:
bonds (distance) C4'-P energy: -16.386
bonds (distance) P-C4' energy: -19.383
flat angles C4'-P-C4' energy: -18.650
flat angles P-C4'-P energy: -9.663
tors. eta vs tors. theta energy: -20.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -273.122371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.122371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.122371 (E_RNA)
where:
Base-Base interactions energy: -179.884
where: short stacking energy: -81.181
Base-Backbone interact. energy: -0.506
local terms energy: -92.732440
where:
bonds (distance) C4'-P energy: -16.754
bonds (distance) P-C4' energy: -16.562
flat angles C4'-P-C4' energy: -20.423
flat angles P-C4'-P energy: -12.409
tors. eta vs tors. theta energy: -26.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -255.969699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.969699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.969699 (E_RNA)
where:
Base-Base interactions energy: -171.070
where: short stacking energy: -62.275
Base-Backbone interact. energy: -0.349
local terms energy: -84.550751
where:
bonds (distance) C4'-P energy: -13.336
bonds (distance) P-C4' energy: -18.890
flat angles C4'-P-C4' energy: -18.877
flat angles P-C4'-P energy: -13.265
tors. eta vs tors. theta energy: -20.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -167.194540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.194540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.194540 (E_RNA)
where:
Base-Base interactions energy: -103.361
where: short stacking energy: -42.011
Base-Backbone interact. energy: -0.319
local terms energy: -63.514642
where:
bonds (distance) C4'-P energy: -13.442
bonds (distance) P-C4' energy: -22.409
flat angles C4'-P-C4' energy: -15.290
flat angles P-C4'-P energy: -7.503
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: 8, replica: 2
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -180.703526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.703526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.703526 (E_RNA)
where:
Base-Base interactions energy: -107.376
where: short stacking energy: -54.843
Base-Backbone interact. energy: -1.694
local terms energy: -71.633688
where:
bonds (distance) C4'-P energy: -13.616
bonds (distance) P-C4' energy: -14.511
flat angles C4'-P-C4' energy: -17.433
flat angles P-C4'-P energy: -6.307
tors. eta vs tors. theta energy: -19.766
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: 9, replica: 7
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -79.159842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.159842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.159842 (E_RNA)
where:
Base-Base interactions energy: -32.828
where: short stacking energy: -25.954
Base-Backbone interact. energy: -0.060
local terms energy: -46.272783
where:
bonds (distance) C4'-P energy: -16.377
bonds (distance) P-C4' energy: -13.017
flat angles C4'-P-C4' energy: -10.027
flat angles P-C4'-P energy: -8.616
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: 10, replica: 10
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -96.816338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.816338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.816338 (E_RNA)
where:
Base-Base interactions energy: -39.061
where: short stacking energy: -26.294
Base-Backbone interact. energy: -0.239
local terms energy: -57.516830
where:
bonds (distance) C4'-P energy: -15.230
bonds (distance) P-C4' energy: -15.926
flat angles C4'-P-C4' energy: -18.902
flat angles P-C4'-P energy: -4.817
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: 4
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -292.737348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.737348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.737348 (E_RNA)
where:
Base-Base interactions energy: -197.935
where: short stacking energy: -82.620
Base-Backbone interact. energy: -0.283
local terms energy: -94.519325
where:
bonds (distance) C4'-P energy: -20.894
bonds (distance) P-C4' energy: -19.476
flat angles C4'-P-C4' energy: -14.985
flat angles P-C4'-P energy: -15.206
tors. eta vs tors. theta energy: -23.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -285.333132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.333132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.333132 (E_RNA)
where:
Base-Base interactions energy: -189.804
where: short stacking energy: -81.755
Base-Backbone interact. energy: -0.003
local terms energy: -95.525714
where:
bonds (distance) C4'-P energy: -13.418
bonds (distance) P-C4' energy: -18.945
flat angles C4'-P-C4' energy: -20.369
flat angles P-C4'-P energy: -15.935
tors. eta vs tors. theta energy: -26.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -278.679294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.679294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.679294 (E_RNA)
where:
Base-Base interactions energy: -182.504
where: short stacking energy: -81.432
Base-Backbone interact. energy: -0.015
local terms energy: -96.160766
where:
bonds (distance) C4'-P energy: -19.458
bonds (distance) P-C4' energy: -18.698
flat angles C4'-P-C4' energy: -21.513
flat angles P-C4'-P energy: -10.774
tors. eta vs tors. theta energy: -25.718
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: 4, replica: 9
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -280.104378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.104378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.104378 (E_RNA)
where:
Base-Base interactions energy: -197.876
where: short stacking energy: -81.647
Base-Backbone interact. energy: -0.009
local terms energy: -82.218642
where:
bonds (distance) C4'-P energy: -11.654
bonds (distance) P-C4' energy: -15.814
flat angles C4'-P-C4' energy: -17.183
flat angles P-C4'-P energy: -10.583
tors. eta vs tors. theta energy: -26.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -284.664876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.664876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.664876 (E_RNA)
where:
Base-Base interactions energy: -193.028
where: short stacking energy: -80.940
Base-Backbone interact. energy: -1.460
local terms energy: -90.177412
where:
bonds (distance) C4'-P energy: -17.027
bonds (distance) P-C4' energy: -14.380
flat angles C4'-P-C4' energy: -16.410
flat angles P-C4'-P energy: -14.138
tors. eta vs tors. theta energy: -28.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -266.338578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.338578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.338578 (E_RNA)
where:
Base-Base interactions energy: -178.580
where: short stacking energy: -73.372
Base-Backbone interact. energy: -1.172
local terms energy: -86.586440
where:
bonds (distance) C4'-P energy: -15.028
bonds (distance) P-C4' energy: -17.238
flat angles C4'-P-C4' energy: -18.197
flat angles P-C4'-P energy: -10.326
tors. eta vs tors. theta energy: -25.797
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: 6
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -184.593528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.593528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.593528 (E_RNA)
where:
Base-Base interactions energy: -113.396
where: short stacking energy: -42.759
Base-Backbone interact. energy: 0.404
local terms energy: -71.601737
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -13.773
flat angles C4'-P-C4' energy: -17.245
flat angles P-C4'-P energy: -15.816
tors. eta vs tors. theta energy: -12.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -109.490670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.490670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.490670 (E_RNA)
where:
Base-Base interactions energy: -44.858
where: short stacking energy: -29.719
Base-Backbone interact. energy: 1.500
local terms energy: -66.132550
where:
bonds (distance) C4'-P energy: -18.949
bonds (distance) P-C4' energy: -14.671
flat angles C4'-P-C4' energy: -15.825
flat angles P-C4'-P energy: -12.792
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: 2
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -153.576199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.576199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.576199 (E_RNA)
where:
Base-Base interactions energy: -89.059
where: short stacking energy: -41.047
Base-Backbone interact. energy: -0.115
local terms energy: -64.402606
where:
bonds (distance) C4'-P energy: -11.774
bonds (distance) P-C4' energy: -16.722
flat angles C4'-P-C4' energy: -19.302
flat angles P-C4'-P energy: -9.152
tors. eta vs tors. theta energy: -7.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -90.653303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.653303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.653303 (E_RNA)
where:
Base-Base interactions energy: -39.346
where: short stacking energy: -34.196
Base-Backbone interact. energy: -1.641
local terms energy: -49.666056
where:
bonds (distance) C4'-P energy: -17.163
bonds (distance) P-C4' energy: -19.239
flat angles C4'-P-C4' energy: -9.730
flat angles P-C4'-P energy: -0.094
tors. eta vs tors. theta energy: -3.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -298.432726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.432726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.432726 (E_RNA)
where:
Base-Base interactions energy: -202.515
where: short stacking energy: -83.767
Base-Backbone interact. energy: -2.745
local terms energy: -93.172209
where:
bonds (distance) C4'-P energy: -17.504
bonds (distance) P-C4' energy: -17.505
flat angles C4'-P-C4' energy: -20.209
flat angles P-C4'-P energy: -10.895
tors. eta vs tors. theta energy: -27.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -280.534412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.534412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.534412 (E_RNA)
where:
Base-Base interactions energy: -183.860
where: short stacking energy: -64.183
Base-Backbone interact. energy: -0.131
local terms energy: -96.543371
where:
bonds (distance) C4'-P energy: -19.258
bonds (distance) P-C4' energy: -19.080
flat angles C4'-P-C4' energy: -20.848
flat angles P-C4'-P energy: -17.493
tors. eta vs tors. theta energy: -19.864
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: 9
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -285.205155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.205155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.205155 (E_RNA)
where:
Base-Base interactions energy: -190.295
where: short stacking energy: -80.713
Base-Backbone interact. energy: -0.381
local terms energy: -94.529851
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -17.267
flat angles C4'-P-C4' energy: -19.676
flat angles P-C4'-P energy: -14.027
tors. eta vs tors. theta energy: -28.748
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: 5
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -276.724760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.724760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.724760 (E_RNA)
where:
Base-Base interactions energy: -186.491
where: short stacking energy: -76.723
Base-Backbone interact. energy: -0.127
local terms energy: -90.106426
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -16.425
flat angles C4'-P-C4' energy: -19.226
flat angles P-C4'-P energy: -14.320
tors. eta vs tors. theta energy: -26.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -265.838632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.838632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.838632 (E_RNA)
where:
Base-Base interactions energy: -174.915
where: short stacking energy: -68.268
Base-Backbone interact. energy: -0.537
local terms energy: -90.387125
where:
bonds (distance) C4'-P energy: -17.217
bonds (distance) P-C4' energy: -18.865
flat angles C4'-P-C4' energy: -19.581
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -24.426
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: 6, replica: 8
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -267.868651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.868651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.868651 (E_RNA)
where:
Base-Base interactions energy: -180.820
where: short stacking energy: -71.548
Base-Backbone interact. energy: 0.507
local terms energy: -87.555249
where:
bonds (distance) C4'-P energy: -20.657
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -20.212
flat angles P-C4'-P energy: -12.601
tors. eta vs tors. theta energy: -19.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -180.138068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.138068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.138068 (E_RNA)
where:
Base-Base interactions energy: -102.773
where: short stacking energy: -47.358
Base-Backbone interact. energy: -1.441
local terms energy: -75.923786
where:
bonds (distance) C4'-P energy: -18.724
bonds (distance) P-C4' energy: -21.486
flat angles C4'-P-C4' energy: -14.983
flat angles P-C4'-P energy: -12.607
tors. eta vs tors. theta energy: -8.124
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: 8, replica: 7
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -105.438411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.438411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.438411 (E_RNA)
where:
Base-Base interactions energy: -36.076
where: short stacking energy: -30.799
Base-Backbone interact. energy: -1.086
local terms energy: -68.276132
where:
bonds (distance) C4'-P energy: -18.845
bonds (distance) P-C4' energy: -17.741
flat angles C4'-P-C4' energy: -12.184
flat angles P-C4'-P energy: -11.572
tors. eta vs tors. theta energy: -7.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -161.274671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.274671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.274671 (E_RNA)
where:
Base-Base interactions energy: -89.920
where: short stacking energy: -43.066
Base-Backbone interact. energy: -0.742
local terms energy: -70.612372
where:
bonds (distance) C4'-P energy: -16.166
bonds (distance) P-C4' energy: -18.276
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -13.009
tors. eta vs tors. theta energy: -8.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -91.664732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.664732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.664732 (E_RNA)
where:
Base-Base interactions energy: -36.736
where: short stacking energy: -34.011
Base-Backbone interact. energy: -0.348
local terms energy: -54.581400
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -15.833
flat angles P-C4'-P energy: -8.475
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: 1, replica: 3
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -293.540996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.540996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.540996 (E_RNA)
where:
Base-Base interactions energy: -201.774
where: short stacking energy: -80.557
Base-Backbone interact. energy: -0.501
local terms energy: -91.266089
where:
bonds (distance) C4'-P energy: -18.969
bonds (distance) P-C4' energy: -17.071
flat angles C4'-P-C4' energy: -18.415
flat angles P-C4'-P energy: -10.083
tors. eta vs tors. theta energy: -26.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -280.191329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.191329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.191329 (E_RNA)
where:
Base-Base interactions energy: -187.546
where: short stacking energy: -77.871
Base-Backbone interact. energy: -0.319
local terms energy: -92.326540
where:
bonds (distance) C4'-P energy: -18.994
bonds (distance) P-C4' energy: -18.074
flat angles C4'-P-C4' energy: -19.664
flat angles P-C4'-P energy: -12.484
tors. eta vs tors. theta energy: -23.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -281.545187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.545187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.545187 (E_RNA)
where:
Base-Base interactions energy: -192.088
where: short stacking energy: -73.305
Base-Backbone interact. energy: -1.604
local terms energy: -87.852886
where:
bonds (distance) C4'-P energy: -20.281
bonds (distance) P-C4' energy: -14.386
flat angles C4'-P-C4' energy: -18.360
flat angles P-C4'-P energy: -15.958
tors. eta vs tors. theta energy: -18.869
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: 1
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -276.102917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.102917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.102917 (E_RNA)
where:
Base-Base interactions energy: -188.492
where: short stacking energy: -80.487
Base-Backbone interact. energy: -0.092
local terms energy: -87.519186
where:
bonds (distance) C4'-P energy: -16.509
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -18.973
flat angles P-C4'-P energy: -12.368
tors. eta vs tors. theta energy: -22.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -281.979886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.979886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.979886 (E_RNA)
where:
Base-Base interactions energy: -187.788
where: short stacking energy: -85.510
Base-Backbone interact. energy: -0.107
local terms energy: -94.084687
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -20.239
flat angles C4'-P-C4' energy: -19.368
flat angles P-C4'-P energy: -14.098
tors. eta vs tors. theta energy: -26.599
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -268.085829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.085829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.085829 (E_RNA)
where:
Base-Base interactions energy: -182.327
where: short stacking energy: -76.062
Base-Backbone interact. energy: 0.851
local terms energy: -86.609515
where:
bonds (distance) C4'-P energy: -16.898
bonds (distance) P-C4' energy: -16.835
flat angles C4'-P-C4' energy: -17.674
flat angles P-C4'-P energy: -12.678
tors. eta vs tors. theta energy: -22.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 459
Temperature: 1.200000
Total energy: -181.396129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.396129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.396129 (E_RNA)
where:
Base-Base interactions energy: -101.479
where: short stacking energy: -47.376
Base-Backbone interact. energy: -0.144
local terms energy: -79.773078
where:
bonds (distance) C4'-P energy: -20.620
bonds (distance) P-C4' energy: -19.633
flat angles C4'-P-C4' energy: -17.661
flat angles P-C4'-P energy: -11.075
tors. eta vs tors. theta energy: -10.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -174.136430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.136430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.136430 (E_RNA)
where:
Base-Base interactions energy: -114.701
where: short stacking energy: -36.319
Base-Backbone interact. energy: -0.414
local terms energy: -59.021487
where:
bonds (distance) C4'-P energy: -16.689
bonds (distance) P-C4' energy: -12.643
flat angles C4'-P-C4' energy: -14.368
flat angles P-C4'-P energy: -11.486
tors. eta vs tors. theta energy: -3.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -86.507938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.507938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.507938 (E_RNA)
where:
Base-Base interactions energy: -27.951
where: short stacking energy: -27.364
Base-Backbone interact. energy: -0.413
local terms energy: -58.143911
where:
bonds (distance) C4'-P energy: -10.753
bonds (distance) P-C4' energy: -17.087
flat angles C4'-P-C4' energy: -17.600
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -1.392
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: 10, replica: 10
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -82.541973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.541973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.541973 (E_RNA)
where:
Base-Base interactions energy: -30.391
where: short stacking energy: -25.975
Base-Backbone interact. energy: -0.355
local terms energy: -51.795995
where:
bonds (distance) C4'-P energy: -11.697
bonds (distance) P-C4' energy: -20.637
flat angles C4'-P-C4' energy: -12.486
flat angles P-C4'-P energy: -6.874
tors. eta vs tors. theta energy: -0.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -288.613974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.613974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.613974 (E_RNA)
where:
Base-Base interactions energy: -196.070
where: short stacking energy: -84.861
Base-Backbone interact. energy: -0.003
local terms energy: -92.541047
where:
bonds (distance) C4'-P energy: -18.468
bonds (distance) P-C4' energy: -17.175
flat angles C4'-P-C4' energy: -21.170
flat angles P-C4'-P energy: -9.467
tors. eta vs tors. theta energy: -26.260
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: 9
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -290.102561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.102561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.102561 (E_RNA)
where:
Base-Base interactions energy: -198.785
where: short stacking energy: -83.466
Base-Backbone interact. energy: -0.355
local terms energy: -90.962858
where:
bonds (distance) C4'-P energy: -16.149
bonds (distance) P-C4' energy: -19.145
flat angles C4'-P-C4' energy: -20.050
flat angles P-C4'-P energy: -7.240
tors. eta vs tors. theta energy: -28.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -285.556897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.556897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.556897 (E_RNA)
where:
Base-Base interactions energy: -193.494
where: short stacking energy: -83.724
Base-Backbone interact. energy: 0.108
local terms energy: -92.170902
where:
bonds (distance) C4'-P energy: -19.205
bonds (distance) P-C4' energy: -13.882
flat angles C4'-P-C4' energy: -18.931
flat angles P-C4'-P energy: -13.819
tors. eta vs tors. theta energy: -26.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -275.372139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.372139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.372139 (E_RNA)
where:
Base-Base interactions energy: -185.816
where: short stacking energy: -69.808
Base-Backbone interact. energy: -0.134
local terms energy: -89.421709
where:
bonds (distance) C4'-P energy: -19.847
bonds (distance) P-C4' energy: -19.553
flat angles C4'-P-C4' energy: -13.164
flat angles P-C4'-P energy: -13.483
tors. eta vs tors. theta energy: -23.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 460
Temperature: 1.100000
Total energy: -248.947237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.947237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.947237 (E_RNA)
where:
Base-Base interactions energy: -177.662
where: short stacking energy: -70.064
Base-Backbone interact. energy: 0.317
local terms energy: -71.602445
where:
bonds (distance) C4'-P energy: -13.901
bonds (distance) P-C4' energy: -11.612
flat angles C4'-P-C4' energy: -13.904
flat angles P-C4'-P energy: -9.662
tors. eta vs tors. theta energy: -22.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -261.107069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.107069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.107069 (E_RNA)
where:
Base-Base interactions energy: -173.741
where: short stacking energy: -73.731
Base-Backbone interact. energy: -0.883
local terms energy: -86.483249
where:
bonds (distance) C4'-P energy: -16.514
bonds (distance) P-C4' energy: -20.154
flat angles C4'-P-C4' energy: -18.189
flat angles P-C4'-P energy: -10.600
tors. eta vs tors. theta energy: -21.027
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: 460
Temperature: 1.200000
Total energy: -156.820209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.820209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.820209 (E_RNA)
where:
Base-Base interactions energy: -88.223
where: short stacking energy: -41.375
Base-Backbone interact. energy: -0.973
local terms energy: -67.624343
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -14.911
flat angles P-C4'-P energy: -13.165
tors. eta vs tors. theta energy: -7.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -189.912964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.912964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.912964 (E_RNA)
where:
Base-Base interactions energy: -134.307
where: short stacking energy: -45.791
Base-Backbone interact. energy: -0.047
local terms energy: -55.558990
where:
bonds (distance) C4'-P energy: -11.998
bonds (distance) P-C4' energy: -16.573
flat angles C4'-P-C4' energy: -12.633
flat angles P-C4'-P energy: -14.269
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: 9, replica: 10
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -85.599893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.599893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.599893 (E_RNA)
where:
Base-Base interactions energy: -28.075
where: short stacking energy: -28.075
Base-Backbone interact. energy: -0.314
local terms energy: -57.210241
where:
bonds (distance) C4'-P energy: -13.160
bonds (distance) P-C4' energy: -19.209
flat angles C4'-P-C4' energy: -12.576
flat angles P-C4'-P energy: -10.726
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: 10, replica: 7
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -87.654451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.654451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.654451 (E_RNA)
where:
Base-Base interactions energy: -24.199
where: short stacking energy: -21.062
Base-Backbone interact. energy: -0.177
local terms energy: -63.278420
where:
bonds (distance) C4'-P energy: -14.464
bonds (distance) P-C4' energy: -17.708
flat angles C4'-P-C4' energy: -18.282
flat angles P-C4'-P energy: -8.715
tors. eta vs tors. theta energy: -4.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -290.277648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.277648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.277648 (E_RNA)
where:
Base-Base interactions energy: -197.100
where: short stacking energy: -81.601
Base-Backbone interact. energy: -0.015
local terms energy: -93.162405
where:
bonds (distance) C4'-P energy: -20.591
bonds (distance) P-C4' energy: -15.915
flat angles C4'-P-C4' energy: -18.879
flat angles P-C4'-P energy: -12.091
tors. eta vs tors. theta energy: -25.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -288.607469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.607469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.607469 (E_RNA)
where:
Base-Base interactions energy: -192.847
where: short stacking energy: -80.243
Base-Backbone interact. energy: -0.605
local terms energy: -95.155846
where:
bonds (distance) C4'-P energy: -15.726
bonds (distance) P-C4' energy: -20.111
flat angles C4'-P-C4' energy: -19.787
flat angles P-C4'-P energy: -11.326
tors. eta vs tors. theta energy: -28.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -279.018705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.018705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.018705 (E_RNA)
where:
Base-Base interactions energy: -191.663
where: short stacking energy: -77.439
Base-Backbone interact. energy: 0.830
local terms energy: -88.185841
where:
bonds (distance) C4'-P energy: -15.032
bonds (distance) P-C4' energy: -17.107
flat angles C4'-P-C4' energy: -18.571
flat angles P-C4'-P energy: -10.991
tors. eta vs tors. theta energy: -26.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -277.951951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.951951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.951951 (E_RNA)
where:
Base-Base interactions energy: -188.321
where: short stacking energy: -84.936
Base-Backbone interact. energy: 0.132
local terms energy: -89.762964
where:
bonds (distance) C4'-P energy: -18.932
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -18.774
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -24.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -251.406174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.406174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.406174 (E_RNA)
where:
Base-Base interactions energy: -168.942
where: short stacking energy: -65.937
Base-Backbone interact. energy: -0.186
local terms energy: -82.277987
where:
bonds (distance) C4'-P energy: -17.023
bonds (distance) P-C4' energy: -18.646
flat angles C4'-P-C4' energy: -15.458
flat angles P-C4'-P energy: -13.715
tors. eta vs tors. theta energy: -17.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -252.689063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.689063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.689063 (E_RNA)
where:
Base-Base interactions energy: -171.454
where: short stacking energy: -69.676
Base-Backbone interact. energy: -0.326
local terms energy: -80.908910
where:
bonds (distance) C4'-P energy: -15.924
bonds (distance) P-C4' energy: -17.082
flat angles C4'-P-C4' energy: -16.132
flat angles P-C4'-P energy: -13.917
tors. eta vs tors. theta energy: -17.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -166.229028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.229028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.229028 (E_RNA)
where:
Base-Base interactions energy: -98.159
where: short stacking energy: -44.613
Base-Backbone interact. energy: -0.785
local terms energy: -67.285522
where:
bonds (distance) C4'-P energy: -15.781
bonds (distance) P-C4' energy: -15.729
flat angles C4'-P-C4' energy: -17.214
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -9.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -188.795746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.795746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.795746 (E_RNA)
where:
Base-Base interactions energy: -121.449
where: short stacking energy: -55.045
Base-Backbone interact. energy: -0.655
local terms energy: -66.691952
where:
bonds (distance) C4'-P energy: -16.519
bonds (distance) P-C4' energy: -16.393
flat angles C4'-P-C4' energy: -13.241
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -10.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -85.561994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.561994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.561994 (E_RNA)
where:
Base-Base interactions energy: -21.539
where: short stacking energy: -20.057
Base-Backbone interact. energy: -0.333
local terms energy: -63.689674
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -20.200
flat angles C4'-P-C4' energy: -15.356
flat angles P-C4'-P energy: -13.171
tors. eta vs tors. theta energy: -1.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -80.374690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.374690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.374690 (E_RNA)
where:
Base-Base interactions energy: -26.437
where: short stacking energy: -19.332
Base-Backbone interact. energy: 0.751
local terms energy: -54.689063
where:
bonds (distance) C4'-P energy: -10.366
bonds (distance) P-C4' energy: -17.930
flat angles C4'-P-C4' energy: -17.093
flat angles P-C4'-P energy: -12.166
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: 9
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -297.651115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.651115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.651115 (E_RNA)
where:
Base-Base interactions energy: -196.544
where: short stacking energy: -84.353
Base-Backbone interact. energy: -0.459
local terms energy: -100.648279
where:
bonds (distance) C4'-P energy: -19.395
bonds (distance) P-C4' energy: -17.411
flat angles C4'-P-C4' energy: -21.410
flat angles P-C4'-P energy: -17.353
tors. eta vs tors. theta energy: -25.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -292.886489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.886489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.886489 (E_RNA)
where:
Base-Base interactions energy: -195.102
where: short stacking energy: -79.495
Base-Backbone interact. energy: -0.008
local terms energy: -97.775649
where:
bonds (distance) C4'-P energy: -17.955
bonds (distance) P-C4' energy: -19.353
flat angles C4'-P-C4' energy: -21.204
flat angles P-C4'-P energy: -11.106
tors. eta vs tors. theta energy: -28.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -279.433652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.433652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.433652 (E_RNA)
where:
Base-Base interactions energy: -191.570
where: short stacking energy: -77.092
Base-Backbone interact. energy: -0.093
local terms energy: -87.770265
where:
bonds (distance) C4'-P energy: -15.351
bonds (distance) P-C4' energy: -15.867
flat angles C4'-P-C4' energy: -18.902
flat angles P-C4'-P energy: -14.688
tors. eta vs tors. theta energy: -22.962
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: 1
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -277.479459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.479459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.479459 (E_RNA)
where:
Base-Base interactions energy: -188.840
where: short stacking energy: -76.625
Base-Backbone interact. energy: -0.492
local terms energy: -88.148062
where:
bonds (distance) C4'-P energy: -16.647
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -16.579
flat angles P-C4'-P energy: -12.233
tors. eta vs tors. theta energy: -25.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -264.309295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.309295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.309295 (E_RNA)
where:
Base-Base interactions energy: -182.323
where: short stacking energy: -73.884
Base-Backbone interact. energy: -0.025
local terms energy: -81.961641
where:
bonds (distance) C4'-P energy: -18.642
bonds (distance) P-C4' energy: -17.851
flat angles C4'-P-C4' energy: -11.329
flat angles P-C4'-P energy: -11.686
tors. eta vs tors. theta energy: -22.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -270.900439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.900439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.900439 (E_RNA)
where:
Base-Base interactions energy: -187.055
where: short stacking energy: -71.527
Base-Backbone interact. energy: -0.072
local terms energy: -83.773236
where:
bonds (distance) C4'-P energy: -12.573
bonds (distance) P-C4' energy: -19.294
flat angles C4'-P-C4' energy: -18.142
flat angles P-C4'-P energy: -13.938
tors. eta vs tors. theta energy: -19.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -181.233543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.233543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.233543 (E_RNA)
where:
Base-Base interactions energy: -112.137
where: short stacking energy: -54.375
Base-Backbone interact. energy: -0.451
local terms energy: -68.645438
where:
bonds (distance) C4'-P energy: -14.182
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -15.797
flat angles P-C4'-P energy: -8.433
tors. eta vs tors. theta energy: -14.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -192.893767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.893767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.893767 (E_RNA)
where:
Base-Base interactions energy: -132.011
where: short stacking energy: -58.676
Base-Backbone interact. energy: -0.891
local terms energy: -59.991534
where:
bonds (distance) C4'-P energy: -12.626
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -11.240
flat angles P-C4'-P energy: -11.957
tors. eta vs tors. theta energy: -9.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -94.155342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.155342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.155342 (E_RNA)
where:
Base-Base interactions energy: -30.896
where: short stacking energy: -28.308
Base-Backbone interact. energy: 1.140
local terms energy: -64.399992
where:
bonds (distance) C4'-P energy: -13.083
bonds (distance) P-C4' energy: -18.539
flat angles C4'-P-C4' energy: -18.705
flat angles P-C4'-P energy: -10.091
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: 10, replica: 10
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -90.321933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.321933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.321933 (E_RNA)
where:
Base-Base interactions energy: -28.954
where: short stacking energy: -28.954
Base-Backbone interact. energy: 0.276
local terms energy: -61.643936
where:
bonds (distance) C4'-P energy: -18.576
bonds (distance) P-C4' energy: -14.503
flat angles C4'-P-C4' energy: -14.789
flat angles P-C4'-P energy: -8.203
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: 1, replica: 9
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -298.873372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.873372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.873372 (E_RNA)
where:
Base-Base interactions energy: -192.469
where: short stacking energy: -86.318
Base-Backbone interact. energy: -1.896
local terms energy: -104.508210
where:
bonds (distance) C4'-P energy: -18.722
bonds (distance) P-C4' energy: -19.238
flat angles C4'-P-C4' energy: -23.256
flat angles P-C4'-P energy: -13.935
tors. eta vs tors. theta energy: -29.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -289.382274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.382274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.382274 (E_RNA)
where:
Base-Base interactions energy: -197.319
where: short stacking energy: -81.243
Base-Backbone interact. energy: -0.586
local terms energy: -91.477615
where:
bonds (distance) C4'-P energy: -13.926
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -18.662
flat angles P-C4'-P energy: -13.095
tors. eta vs tors. theta energy: -28.737
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: 3, replica: 3
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -272.950449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.950449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.950449 (E_RNA)
where:
Base-Base interactions energy: -185.856
where: short stacking energy: -70.889
Base-Backbone interact. energy: 1.071
local terms energy: -88.165570
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -18.442
flat angles C4'-P-C4' energy: -20.561
flat angles P-C4'-P energy: -11.590
tors. eta vs tors. theta energy: -24.310
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: 8
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -271.463076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.463076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.463076 (E_RNA)
where:
Base-Base interactions energy: -178.357
where: short stacking energy: -77.550
Base-Backbone interact. energy: -0.052
local terms energy: -93.053711
where:
bonds (distance) C4'-P energy: -17.922
bonds (distance) P-C4' energy: -20.644
flat angles C4'-P-C4' energy: -20.994
flat angles P-C4'-P energy: -10.996
tors. eta vs tors. theta energy: -22.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -285.398764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.398764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.398764 (E_RNA)
where:
Base-Base interactions energy: -191.005
where: short stacking energy: -82.051
Base-Backbone interact. energy: -0.899
local terms energy: -93.494546
where:
bonds (distance) C4'-P energy: -18.596
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -20.280
flat angles P-C4'-P energy: -12.164
tors. eta vs tors. theta energy: -25.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -258.559690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.559690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.559690 (E_RNA)
where:
Base-Base interactions energy: -178.988
where: short stacking energy: -66.093
Base-Backbone interact. energy: -0.774
local terms energy: -78.798116
where:
bonds (distance) C4'-P energy: -10.130
bonds (distance) P-C4' energy: -19.949
flat angles C4'-P-C4' energy: -16.703
flat angles P-C4'-P energy: -15.744
tors. eta vs tors. theta energy: -16.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -183.011982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.011982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.011982 (E_RNA)
where:
Base-Base interactions energy: -100.712
where: short stacking energy: -48.332
Base-Backbone interact. energy: -0.227
local terms energy: -82.073645
where:
bonds (distance) C4'-P energy: -20.646
bonds (distance) P-C4' energy: -18.396
flat angles C4'-P-C4' energy: -20.910
flat angles P-C4'-P energy: -11.708
tors. eta vs tors. theta energy: -10.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -200.692890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.692890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.692890 (E_RNA)
where:
Base-Base interactions energy: -130.917
where: short stacking energy: -62.545
Base-Backbone interact. energy: -0.245
local terms energy: -69.530658
where:
bonds (distance) C4'-P energy: -9.845
bonds (distance) P-C4' energy: -16.419
flat angles C4'-P-C4' energy: -13.458
flat angles P-C4'-P energy: -13.817
tors. eta vs tors. theta energy: -15.992
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: 7
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -95.403964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.403964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.403964 (E_RNA)
where:
Base-Base interactions energy: -38.698
where: short stacking energy: -38.209
Base-Backbone interact. energy: -0.576
local terms energy: -56.129755
where:
bonds (distance) C4'-P energy: -10.192
bonds (distance) P-C4' energy: -15.053
flat angles C4'-P-C4' energy: -19.048
flat angles P-C4'-P energy: -6.982
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: 10, replica: 10
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -88.755031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.755031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.755031 (E_RNA)
where:
Base-Base interactions energy: -27.522
where: short stacking energy: -26.731
Base-Backbone interact. energy: -0.180
local terms energy: -61.053614
where:
bonds (distance) C4'-P energy: -16.481
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -12.360
flat angles P-C4'-P energy: -11.085
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: 1, replica: 4
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -288.135605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.135605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.135605 (E_RNA)
where:
Base-Base interactions energy: -193.942
where: short stacking energy: -76.702
Base-Backbone interact. energy: -1.119
local terms energy: -93.074218
where:
bonds (distance) C4'-P energy: -16.862
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -19.047
flat angles P-C4'-P energy: -13.671
tors. eta vs tors. theta energy: -28.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 464
Temperature: 0.950000
Total energy: -290.476423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.476423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.476423 (E_RNA)
where:
Base-Base interactions energy: -199.448
where: short stacking energy: -80.038
Base-Backbone interact. energy: -0.070
local terms energy: -90.959094
where:
bonds (distance) C4'-P energy: -17.492
bonds (distance) P-C4' energy: -15.837
flat angles C4'-P-C4' energy: -18.665
flat angles P-C4'-P energy: -11.734
tors. eta vs tors. theta energy: -27.232
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: 8
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -273.507019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.507019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.507019 (E_RNA)
where:
Base-Base interactions energy: -183.599
where: short stacking energy: -81.050
Base-Backbone interact. energy: -1.252
local terms energy: -88.656154
where:
bonds (distance) C4'-P energy: -16.694
bonds (distance) P-C4' energy: -16.223
flat angles C4'-P-C4' energy: -17.856
flat angles P-C4'-P energy: -14.584
tors. eta vs tors. theta energy: -23.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -270.666816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.666816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.666816 (E_RNA)
where:
Base-Base interactions energy: -186.026
where: short stacking energy: -68.936
Base-Backbone interact. energy: -0.100
local terms energy: -84.541067
where:
bonds (distance) C4'-P energy: -14.767
bonds (distance) P-C4' energy: -17.955
flat angles C4'-P-C4' energy: -19.748
flat angles P-C4'-P energy: -9.285
tors. eta vs tors. theta energy: -22.786
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -273.372312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.372312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.372312 (E_RNA)
where:
Base-Base interactions energy: -188.210
where: short stacking energy: -72.400
Base-Backbone interact. energy: -0.022
local terms energy: -85.139777
where:
bonds (distance) C4'-P energy: -16.304
bonds (distance) P-C4' energy: -12.902
flat angles C4'-P-C4' energy: -19.229
flat angles P-C4'-P energy: -16.281
tors. eta vs tors. theta energy: -20.424
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: 1
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -262.097569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.097569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.097569 (E_RNA)
where:
Base-Base interactions energy: -176.559
where: short stacking energy: -78.700
Base-Backbone interact. energy: -0.533
local terms energy: -85.005498
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -16.977
flat angles C4'-P-C4' energy: -17.716
flat angles P-C4'-P energy: -13.239
tors. eta vs tors. theta energy: -23.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -221.848635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.848635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.848635 (E_RNA)
where:
Base-Base interactions energy: -138.020
where: short stacking energy: -66.130
Base-Backbone interact. energy: -1.158
local terms energy: -82.669886
where:
bonds (distance) C4'-P energy: -15.619
bonds (distance) P-C4' energy: -14.282
flat angles C4'-P-C4' energy: -14.387
flat angles P-C4'-P energy: -15.718
tors. eta vs tors. theta energy: -22.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -208.869655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.869655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.869655 (E_RNA)
where:
Base-Base interactions energy: -143.366
where: short stacking energy: -58.482
Base-Backbone interact. energy: -1.162
local terms energy: -64.342136
where:
bonds (distance) C4'-P energy: -10.847
bonds (distance) P-C4' energy: -19.094
flat angles C4'-P-C4' energy: -14.844
flat angles P-C4'-P energy: -10.528
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: 9, replica: 10
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -90.908142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.908142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.908142 (E_RNA)
where:
Base-Base interactions energy: -36.537
where: short stacking energy: -35.919
Base-Backbone interact. energy: -0.191
local terms energy: -54.179943
where:
bonds (distance) C4'-P energy: -14.075
bonds (distance) P-C4' energy: -18.019
flat angles C4'-P-C4' energy: -15.510
flat angles P-C4'-P energy: -5.701
tors. eta vs tors. theta energy: -0.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -89.385161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.385161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.385161 (E_RNA)
where:
Base-Base interactions energy: -25.116
where: short stacking energy: -22.902
Base-Backbone interact. energy: -0.409
local terms energy: -63.859777
where:
bonds (distance) C4'-P energy: -19.148
bonds (distance) P-C4' energy: -12.283
flat angles C4'-P-C4' energy: -18.981
flat angles P-C4'-P energy: -13.484
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: 1, replica: 4
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -298.081728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.081728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.081728 (E_RNA)
where:
Base-Base interactions energy: -200.344
where: short stacking energy: -80.062
Base-Backbone interact. energy: -0.761
local terms energy: -96.976989
where:
bonds (distance) C4'-P energy: -18.294
bonds (distance) P-C4' energy: -18.117
flat angles C4'-P-C4' energy: -20.261
flat angles P-C4'-P energy: -14.274
tors. eta vs tors. theta energy: -26.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -290.175520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.175520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.175520 (E_RNA)
where:
Base-Base interactions energy: -195.501
where: short stacking energy: -85.021
Base-Backbone interact. energy: -0.940
local terms energy: -93.733897
where:
bonds (distance) C4'-P energy: -12.835
bonds (distance) P-C4' energy: -17.464
flat angles C4'-P-C4' energy: -20.321
flat angles P-C4'-P energy: -15.166
tors. eta vs tors. theta energy: -27.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -290.742365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.742365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.742365 (E_RNA)
where:
Base-Base interactions energy: -198.867
where: short stacking energy: -79.864
Base-Backbone interact. energy: -0.087
local terms energy: -91.788142
where:
bonds (distance) C4'-P energy: -17.256
bonds (distance) P-C4' energy: -19.390
flat angles C4'-P-C4' energy: -14.012
flat angles P-C4'-P energy: -13.910
tors. eta vs tors. theta energy: -27.221
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: 465
Temperature: 1.050000
Total energy: -280.465511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.465511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.465511 (E_RNA)
where:
Base-Base interactions energy: -183.654
where: short stacking energy: -82.219
Base-Backbone interact. energy: -0.826
local terms energy: -95.985771
where:
bonds (distance) C4'-P energy: -16.675
bonds (distance) P-C4' energy: -18.234
flat angles C4'-P-C4' energy: -18.551
flat angles P-C4'-P energy: -15.781
tors. eta vs tors. theta energy: -26.744
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: 3
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -271.346424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.346424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.346424 (E_RNA)
where:
Base-Base interactions energy: -187.420
where: short stacking energy: -73.591
Base-Backbone interact. energy: -0.392
local terms energy: -83.534727
where:
bonds (distance) C4'-P energy: -16.792
bonds (distance) P-C4' energy: -19.708
flat angles C4'-P-C4' energy: -18.129
flat angles P-C4'-P energy: -10.420
tors. eta vs tors. theta energy: -18.486
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: 1
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -272.158963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.158963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.158963 (E_RNA)
where:
Base-Base interactions energy: -178.577
where: short stacking energy: -73.518
Base-Backbone interact. energy: -0.947
local terms energy: -92.635576
where:
bonds (distance) C4'-P energy: -19.545
bonds (distance) P-C4' energy: -17.448
flat angles C4'-P-C4' energy: -18.771
flat angles P-C4'-P energy: -12.262
tors. eta vs tors. theta energy: -24.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -201.511243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.511243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.511243 (E_RNA)
where:
Base-Base interactions energy: -123.059
where: short stacking energy: -61.204
Base-Backbone interact. energy: -0.214
local terms energy: -78.238519
where:
bonds (distance) C4'-P energy: -17.300
bonds (distance) P-C4' energy: -15.249
flat angles C4'-P-C4' energy: -18.085
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: -16.686
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: 465
Temperature: 1.250000
Total energy: -171.280362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.280362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.280362 (E_RNA)
where:
Base-Base interactions energy: -99.126
where: short stacking energy: -46.651
Base-Backbone interact. energy: -0.133
local terms energy: -72.020974
where:
bonds (distance) C4'-P energy: -13.388
bonds (distance) P-C4' energy: -18.240
flat angles C4'-P-C4' energy: -19.858
flat angles P-C4'-P energy: -11.026
tors. eta vs tors. theta energy: -9.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -98.786562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.786562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.786562 (E_RNA)
where:
Base-Base interactions energy: -38.044
where: short stacking energy: -35.089
Base-Backbone interact. energy: -0.095
local terms energy: -60.647043
where:
bonds (distance) C4'-P energy: -13.285
bonds (distance) P-C4' energy: -16.736
flat angles C4'-P-C4' energy: -16.777
flat angles P-C4'-P energy: -10.182
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: 7
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -107.512934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.512934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.512934 (E_RNA)
where:
Base-Base interactions energy: -58.225
where: short stacking energy: -28.878
Base-Backbone interact. energy: -0.093
local terms energy: -49.195406
where:
bonds (distance) C4'-P energy: -12.412
bonds (distance) P-C4' energy: -13.403
flat angles C4'-P-C4' energy: -9.990
flat angles P-C4'-P energy: -8.080
tors. eta vs tors. theta energy: -5.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -286.333928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.333928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.333928 (E_RNA)
where:
Base-Base interactions energy: -188.525
where: short stacking energy: -79.843
Base-Backbone interact. energy: -0.883
local terms energy: -96.925956
where:
bonds (distance) C4'-P energy: -19.773
bonds (distance) P-C4' energy: -17.525
flat angles C4'-P-C4' energy: -20.689
flat angles P-C4'-P energy: -14.409
tors. eta vs tors. theta energy: -24.530
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: 2, replica: 8
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -293.003832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.003832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.003832 (E_RNA)
where:
Base-Base interactions energy: -193.275
where: short stacking energy: -83.278
Base-Backbone interact. energy: -0.809
local terms energy: -98.920336
where:
bonds (distance) C4'-P energy: -18.979
bonds (distance) P-C4' energy: -21.983
flat angles C4'-P-C4' energy: -21.429
flat angles P-C4'-P energy: -13.054
tors. eta vs tors. theta energy: -23.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -278.352639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.352639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.352639 (E_RNA)
where:
Base-Base interactions energy: -184.086
where: short stacking energy: -73.418
Base-Backbone interact. energy: 1.632
local terms energy: -95.898285
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -21.235
flat angles C4'-P-C4' energy: -19.710
flat angles P-C4'-P energy: -14.983
tors. eta vs tors. theta energy: -23.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -277.007120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.007120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.007120 (E_RNA)
where:
Base-Base interactions energy: -186.781
where: short stacking energy: -68.028
Base-Backbone interact. energy: -0.294
local terms energy: -89.932068
where:
bonds (distance) C4'-P energy: -21.454
bonds (distance) P-C4' energy: -19.082
flat angles C4'-P-C4' energy: -17.859
flat angles P-C4'-P energy: -15.114
tors. eta vs tors. theta energy: -16.423
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: 1
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -273.514590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.514590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.514590 (E_RNA)
where:
Base-Base interactions energy: -182.153
where: short stacking energy: -70.035
Base-Backbone interact. energy: -0.019
local terms energy: -91.343236
where:
bonds (distance) C4'-P energy: -14.606
bonds (distance) P-C4' energy: -19.598
flat angles C4'-P-C4' energy: -20.053
flat angles P-C4'-P energy: -16.827
tors. eta vs tors. theta energy: -20.259
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: 3
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -264.665235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.665235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.665235 (E_RNA)
where:
Base-Base interactions energy: -181.340
where: short stacking energy: -72.682
Base-Backbone interact. energy: 0.090
local terms energy: -83.414969
where:
bonds (distance) C4'-P energy: -17.032
bonds (distance) P-C4' energy: -16.438
flat angles C4'-P-C4' energy: -11.937
flat angles P-C4'-P energy: -15.200
tors. eta vs tors. theta energy: -22.808
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: 2
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -192.647219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.647219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.647219 (E_RNA)
where:
Base-Base interactions energy: -126.835
where: short stacking energy: -50.175
Base-Backbone interact. energy: -0.126
local terms energy: -65.686125
where:
bonds (distance) C4'-P energy: -11.649
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -16.696
flat angles P-C4'-P energy: -7.586
tors. eta vs tors. theta energy: -12.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -233.207651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.207651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.207651 (E_RNA)
where:
Base-Base interactions energy: -157.893
where: short stacking energy: -57.160
Base-Backbone interact. energy: -0.616
local terms energy: -74.699250
where:
bonds (distance) C4'-P energy: -15.778
bonds (distance) P-C4' energy: -18.269
flat angles C4'-P-C4' energy: -15.302
flat angles P-C4'-P energy: -5.530
tors. eta vs tors. theta energy: -19.821
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: 7
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -137.655064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.655064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.655064 (E_RNA)
where:
Base-Base interactions energy: -79.261
where: short stacking energy: -33.731
Base-Backbone interact. energy: -0.667
local terms energy: -57.727078
where:
bonds (distance) C4'-P energy: -12.236
bonds (distance) P-C4' energy: -16.771
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -12.436
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: 10
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -88.091804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.091804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.091804 (E_RNA)
where:
Base-Base interactions energy: -29.215
where: short stacking energy: -15.157
Base-Backbone interact. energy: -0.328
local terms energy: -58.549055
where:
bonds (distance) C4'-P energy: -15.222
bonds (distance) P-C4' energy: -20.181
flat angles C4'-P-C4' energy: -15.990
flat angles P-C4'-P energy: -9.483
tors. eta vs tors. theta energy: 2.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -291.234682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.234682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.234682 (E_RNA)
where:
Base-Base interactions energy: -196.903
where: short stacking energy: -79.179
Base-Backbone interact. energy: -0.400
local terms energy: -93.931653
where:
bonds (distance) C4'-P energy: -19.935
bonds (distance) P-C4' energy: -18.160
flat angles C4'-P-C4' energy: -17.261
flat angles P-C4'-P energy: -12.453
tors. eta vs tors. theta energy: -26.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -285.919950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.919950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.919950 (E_RNA)
where:
Base-Base interactions energy: -191.504
where: short stacking energy: -78.582
Base-Backbone interact. energy: -0.576
local terms energy: -93.839803
where:
bonds (distance) C4'-P energy: -18.682
bonds (distance) P-C4' energy: -17.963
flat angles C4'-P-C4' energy: -18.006
flat angles P-C4'-P energy: -15.362
tors. eta vs tors. theta energy: -23.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -282.484805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.484805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.484805 (E_RNA)
where:
Base-Base interactions energy: -191.240
where: short stacking energy: -81.204
Base-Backbone interact. energy: -0.003
local terms energy: -91.241788
where:
bonds (distance) C4'-P energy: -17.173
bonds (distance) P-C4' energy: -21.880
flat angles C4'-P-C4' energy: -14.283
flat angles P-C4'-P energy: -9.650
tors. eta vs tors. theta energy: -28.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -281.790867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.790867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.790867 (E_RNA)
where:
Base-Base interactions energy: -200.616
where: short stacking energy: -82.941
Base-Backbone interact. energy: -0.790
local terms energy: -80.385546
where:
bonds (distance) C4'-P energy: -15.789
bonds (distance) P-C4' energy: -14.211
flat angles C4'-P-C4' energy: -18.017
flat angles P-C4'-P energy: -10.579
tors. eta vs tors. theta energy: -21.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -268.422426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.422426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.422426 (E_RNA)
where:
Base-Base interactions energy: -174.350
where: short stacking energy: -77.926
Base-Backbone interact. energy: -0.059
local terms energy: -94.013742
where:
bonds (distance) C4'-P energy: -18.088
bonds (distance) P-C4' energy: -16.516
flat angles C4'-P-C4' energy: -20.423
flat angles P-C4'-P energy: -13.704
tors. eta vs tors. theta energy: -25.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -275.903409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.903409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.903409 (E_RNA)
where:
Base-Base interactions energy: -185.714
where: short stacking energy: -80.043
Base-Backbone interact. energy: 0.600
local terms energy: -90.789269
where:
bonds (distance) C4'-P energy: -17.628
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -20.882
flat angles P-C4'-P energy: -12.001
tors. eta vs tors. theta energy: -26.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -157.122344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.122344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.122344 (E_RNA)
where:
Base-Base interactions energy: -88.961
where: short stacking energy: -39.106
Base-Backbone interact. energy: -0.044
local terms energy: -68.116896
where:
bonds (distance) C4'-P energy: -19.855
bonds (distance) P-C4' energy: -17.654
flat angles C4'-P-C4' energy: -16.335
flat angles P-C4'-P energy: -11.896
tors. eta vs tors. theta energy: -2.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -235.839971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.839971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.839971 (E_RNA)
where:
Base-Base interactions energy: -147.357
where: short stacking energy: -58.693
Base-Backbone interact. energy: -0.589
local terms energy: -87.893807
where:
bonds (distance) C4'-P energy: -16.666
bonds (distance) P-C4' energy: -23.097
flat angles C4'-P-C4' energy: -19.047
flat angles P-C4'-P energy: -7.501
tors. eta vs tors. theta energy: -21.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -159.093324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.093324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.093324 (E_RNA)
where:
Base-Base interactions energy: -86.446
where: short stacking energy: -52.678
Base-Backbone interact. energy: -0.863
local terms energy: -71.784397
where:
bonds (distance) C4'-P energy: -17.343
bonds (distance) P-C4' energy: -19.704
flat angles C4'-P-C4' energy: -16.458
flat angles P-C4'-P energy: -8.692
tors. eta vs tors. theta energy: -9.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -83.244831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.244831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.244831 (E_RNA)
where:
Base-Base interactions energy: -40.892
where: short stacking energy: -18.085
Base-Backbone interact. energy: -0.099
local terms energy: -42.254601
where:
bonds (distance) C4'-P energy: -16.439
bonds (distance) P-C4' energy: -9.678
flat angles C4'-P-C4' energy: -8.226
flat angles P-C4'-P energy: -9.261
tors. eta vs tors. theta energy: 1.349
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: 1, replica: 9
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -291.863039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.863039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.863039 (E_RNA)
where:
Base-Base interactions energy: -196.929
where: short stacking energy: -82.355
Base-Backbone interact. energy: -1.318
local terms energy: -93.616096
where:
bonds (distance) C4'-P energy: -14.117
bonds (distance) P-C4' energy: -17.261
flat angles C4'-P-C4' energy: -20.841
flat angles P-C4'-P energy: -15.711
tors. eta vs tors. theta energy: -25.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -291.309875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.309875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.309875 (E_RNA)
where:
Base-Base interactions energy: -195.574
where: short stacking energy: -77.625
Base-Backbone interact. energy: -0.048
local terms energy: -95.687193
where:
bonds (distance) C4'-P energy: -14.646
bonds (distance) P-C4' energy: -20.415
flat angles C4'-P-C4' energy: -20.662
flat angles P-C4'-P energy: -14.324
tors. eta vs tors. theta energy: -25.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -290.898319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.898319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.898319 (E_RNA)
where:
Base-Base interactions energy: -191.165
where: short stacking energy: -76.320
Base-Backbone interact. energy: -0.949
local terms energy: -98.784390
where:
bonds (distance) C4'-P energy: -17.428
bonds (distance) P-C4' energy: -19.648
flat angles C4'-P-C4' energy: -19.367
flat angles P-C4'-P energy: -17.343
tors. eta vs tors. theta energy: -24.999
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: 5
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -269.282357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.282357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.282357 (E_RNA)
where:
Base-Base interactions energy: -190.457
where: short stacking energy: -81.517
Base-Backbone interact. energy: -0.022
local terms energy: -78.803491
where:
bonds (distance) C4'-P energy: -13.004
bonds (distance) P-C4' energy: -18.982
flat angles C4'-P-C4' energy: -14.167
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: -21.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -275.268297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.268297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.268297 (E_RNA)
where:
Base-Base interactions energy: -190.019
where: short stacking energy: -77.351
Base-Backbone interact. energy: -0.889
local terms energy: -84.359597
where:
bonds (distance) C4'-P energy: -13.401
bonds (distance) P-C4' energy: -11.881
flat angles C4'-P-C4' energy: -20.555
flat angles P-C4'-P energy: -12.718
tors. eta vs tors. theta energy: -25.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -266.841475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.841475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.841475 (E_RNA)
where:
Base-Base interactions energy: -187.335
where: short stacking energy: -74.278
Base-Backbone interact. energy: -0.598
local terms energy: -78.908089
where:
bonds (distance) C4'-P energy: -15.289
bonds (distance) P-C4' energy: -14.229
flat angles C4'-P-C4' energy: -14.868
flat angles P-C4'-P energy: -9.018
tors. eta vs tors. theta energy: -25.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -214.636536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.636536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.636536 (E_RNA)
where:
Base-Base interactions energy: -141.307
where: short stacking energy: -48.072
Base-Backbone interact. energy: -0.467
local terms energy: -72.862122
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -13.254
flat angles P-C4'-P energy: -15.063
tors. eta vs tors. theta energy: -14.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -153.149787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.149787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.149787 (E_RNA)
where:
Base-Base interactions energy: -91.847
where: short stacking energy: -43.459
Base-Backbone interact. energy: -0.119
local terms energy: -61.183490
where:
bonds (distance) C4'-P energy: -12.805
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -17.864
flat angles P-C4'-P energy: -13.190
tors. eta vs tors. theta energy: -2.886
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: 7
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -167.143472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.143472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.143472 (E_RNA)
where:
Base-Base interactions energy: -94.256
where: short stacking energy: -40.392
Base-Backbone interact. energy: 0.448
local terms energy: -73.335680
where:
bonds (distance) C4'-P energy: -13.894
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -19.462
flat angles P-C4'-P energy: -8.338
tors. eta vs tors. theta energy: -13.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -85.326440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.326440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.326440 (E_RNA)
where:
Base-Base interactions energy: -24.301
where: short stacking energy: -20.244
Base-Backbone interact. energy: -0.007
local terms energy: -61.018796
where:
bonds (distance) C4'-P energy: -17.202
bonds (distance) P-C4' energy: -15.796
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -9.576
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: 1, replica: 9
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -289.295596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.295596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.295596 (E_RNA)
where:
Base-Base interactions energy: -190.266
where: short stacking energy: -79.721
Base-Backbone interact. energy: -0.274
local terms energy: -98.756068
where:
bonds (distance) C4'-P energy: -17.778
bonds (distance) P-C4' energy: -19.518
flat angles C4'-P-C4' energy: -22.398
flat angles P-C4'-P energy: -17.218
tors. eta vs tors. theta energy: -21.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -287.505646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.505646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.505646 (E_RNA)
where:
Base-Base interactions energy: -192.442
where: short stacking energy: -76.896
Base-Backbone interact. energy: -2.256
local terms energy: -92.807139
where:
bonds (distance) C4'-P energy: -17.217
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -20.696
flat angles P-C4'-P energy: -15.283
tors. eta vs tors. theta energy: -23.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -286.102995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.102995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.102995 (E_RNA)
where:
Base-Base interactions energy: -194.574
where: short stacking energy: -71.088
Base-Backbone interact. energy: -0.609
local terms energy: -90.920203
where:
bonds (distance) C4'-P energy: -16.874
bonds (distance) P-C4' energy: -16.206
flat angles C4'-P-C4' energy: -17.420
flat angles P-C4'-P energy: -16.746
tors. eta vs tors. theta energy: -23.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -272.447545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.447545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.447545 (E_RNA)
where:
Base-Base interactions energy: -184.699
where: short stacking energy: -73.950
Base-Backbone interact. energy: -0.365
local terms energy: -87.383769
where:
bonds (distance) C4'-P energy: -15.848
bonds (distance) P-C4' energy: -20.470
flat angles C4'-P-C4' energy: -17.149
flat angles P-C4'-P energy: -12.633
tors. eta vs tors. theta energy: -21.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -263.862611 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.862611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.862611 (E_RNA)
where:
Base-Base interactions energy: -177.807
where: short stacking energy: -76.853
Base-Backbone interact. energy: -1.152
local terms energy: -84.903419
where:
bonds (distance) C4'-P energy: -12.962
bonds (distance) P-C4' energy: -19.756
flat angles C4'-P-C4' energy: -18.395
flat angles P-C4'-P energy: -10.227
tors. eta vs tors. theta energy: -23.564
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: 1
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -267.835726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.835726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.835726 (E_RNA)
where:
Base-Base interactions energy: -192.758
where: short stacking energy: -75.483
Base-Backbone interact. energy: 0.350
local terms energy: -75.427595
where:
bonds (distance) C4'-P energy: -14.681
bonds (distance) P-C4' energy: -10.782
flat angles C4'-P-C4' energy: -21.073
flat angles P-C4'-P energy: -8.689
tors. eta vs tors. theta energy: -20.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -175.252789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.252789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.252789 (E_RNA)
where:
Base-Base interactions energy: -118.399
where: short stacking energy: -42.328
Base-Backbone interact. energy: -0.195
local terms energy: -56.658506
where:
bonds (distance) C4'-P energy: -10.983
bonds (distance) P-C4' energy: -17.587
flat angles C4'-P-C4' energy: -15.334
flat angles P-C4'-P energy: -9.721
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: 7
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -163.171073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.171073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.171073 (E_RNA)
where:
Base-Base interactions energy: -100.749
where: short stacking energy: -47.328
Base-Backbone interact. energy: -0.042
local terms energy: -62.380360
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -13.758
flat angles C4'-P-C4' energy: -19.831
flat angles P-C4'-P energy: -7.049
tors. eta vs tors. theta energy: -7.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -149.624979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.624979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.624979 (E_RNA)
where:
Base-Base interactions energy: -84.456
where: short stacking energy: -46.994
Base-Backbone interact. energy: -0.336
local terms energy: -64.832413
where:
bonds (distance) C4'-P energy: -11.024
bonds (distance) P-C4' energy: -18.259
flat angles C4'-P-C4' energy: -14.537
flat angles P-C4'-P energy: -10.991
tors. eta vs tors. theta energy: -10.021
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: 10
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -94.725559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.725559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.725559 (E_RNA)
where:
Base-Base interactions energy: -38.169
where: short stacking energy: -36.032
Base-Backbone interact. energy: -0.868
local terms energy: -55.687856
where:
bonds (distance) C4'-P energy: -13.463
bonds (distance) P-C4' energy: -16.563
flat angles C4'-P-C4' energy: -11.410
flat angles P-C4'-P energy: -7.610
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: 1, replica: 9
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -289.484551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.484551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.484551 (E_RNA)
where:
Base-Base interactions energy: -193.062
where: short stacking energy: -76.233
Base-Backbone interact. energy: -0.010
local terms energy: -96.412717
where:
bonds (distance) C4'-P energy: -17.831
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -21.030
flat angles P-C4'-P energy: -13.574
tors. eta vs tors. theta energy: -26.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -281.201099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.201099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.201099 (E_RNA)
where:
Base-Base interactions energy: -186.547
where: short stacking energy: -78.941
Base-Backbone interact. energy: -0.003
local terms energy: -94.651332
where:
bonds (distance) C4'-P energy: -19.392
bonds (distance) P-C4' energy: -19.001
flat angles C4'-P-C4' energy: -20.710
flat angles P-C4'-P energy: -10.933
tors. eta vs tors. theta energy: -24.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -281.329665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.329665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.329665 (E_RNA)
where:
Base-Base interactions energy: -184.415
where: short stacking energy: -74.948
Base-Backbone interact. energy: -0.075
local terms energy: -96.839229
where:
bonds (distance) C4'-P energy: -19.421
bonds (distance) P-C4' energy: -17.758
flat angles C4'-P-C4' energy: -21.082
flat angles P-C4'-P energy: -13.129
tors. eta vs tors. theta energy: -25.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -267.066829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.066829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.066829 (E_RNA)
where:
Base-Base interactions energy: -184.173
where: short stacking energy: -68.089
Base-Backbone interact. energy: -0.648
local terms energy: -82.245425
where:
bonds (distance) C4'-P energy: -12.274
bonds (distance) P-C4' energy: -17.465
flat angles C4'-P-C4' energy: -14.745
flat angles P-C4'-P energy: -15.277
tors. eta vs tors. theta energy: -22.483
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: 5
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -257.007699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.007699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.007699 (E_RNA)
where:
Base-Base interactions energy: -172.398
where: short stacking energy: -68.075
Base-Backbone interact. energy: -0.158
local terms energy: -84.451125
where:
bonds (distance) C4'-P energy: -16.415
bonds (distance) P-C4' energy: -17.558
flat angles C4'-P-C4' energy: -21.121
flat angles P-C4'-P energy: -11.894
tors. eta vs tors. theta energy: -17.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -267.664128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.664128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.664128 (E_RNA)
where:
Base-Base interactions energy: -180.564
where: short stacking energy: -72.540
Base-Backbone interact. energy: -1.169
local terms energy: -85.930523
where:
bonds (distance) C4'-P energy: -15.919
bonds (distance) P-C4' energy: -16.690
flat angles C4'-P-C4' energy: -15.320
flat angles P-C4'-P energy: -11.192
tors. eta vs tors. theta energy: -26.809
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: 6
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -157.330165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.330165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.330165 (E_RNA)
where:
Base-Base interactions energy: -81.955
where: short stacking energy: -44.639
Base-Backbone interact. energy: -0.551
local terms energy: -74.824027
where:
bonds (distance) C4'-P energy: -17.499
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -17.178
flat angles P-C4'-P energy: -11.558
tors. eta vs tors. theta energy: -13.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -157.912847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.912847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.912847 (E_RNA)
where:
Base-Base interactions energy: -98.583
where: short stacking energy: -48.932
Base-Backbone interact. energy: -0.135
local terms energy: -59.195223
where:
bonds (distance) C4'-P energy: -13.943
bonds (distance) P-C4' energy: -14.121
flat angles C4'-P-C4' energy: -12.599
flat angles P-C4'-P energy: -11.537
tors. eta vs tors. theta energy: -6.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -102.501492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.501492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.501492 (E_RNA)
where:
Base-Base interactions energy: -34.964
where: short stacking energy: -34.964
Base-Backbone interact. energy: -0.098
local terms energy: -67.439638
where:
bonds (distance) C4'-P energy: -16.921
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -18.609
flat angles P-C4'-P energy: -10.654
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: 10, replica: 2
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -106.427371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.427371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.427371 (E_RNA)
where:
Base-Base interactions energy: -58.423
where: short stacking energy: -30.581
Base-Backbone interact. energy: -0.258
local terms energy: -47.745795
where:
bonds (distance) C4'-P energy: -17.856
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -10.137
flat angles P-C4'-P energy: -8.387
tors. eta vs tors. theta energy: 3.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -295.706699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.706699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.706699 (E_RNA)
where:
Base-Base interactions energy: -206.848
where: short stacking energy: -85.885
Base-Backbone interact. energy: -0.159
local terms energy: -88.699655
where:
bonds (distance) C4'-P energy: -16.692
bonds (distance) P-C4' energy: -15.575
flat angles C4'-P-C4' energy: -20.645
flat angles P-C4'-P energy: -10.195
tors. eta vs tors. theta energy: -25.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -288.143885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.143885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.143885 (E_RNA)
where:
Base-Base interactions energy: -195.111
where: short stacking energy: -71.227
Base-Backbone interact. energy: -0.075
local terms energy: -92.958412
where:
bonds (distance) C4'-P energy: -17.300
bonds (distance) P-C4' energy: -21.718
flat angles C4'-P-C4' energy: -17.909
flat angles P-C4'-P energy: -12.562
tors. eta vs tors. theta energy: -23.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -283.875644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.875644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.875644 (E_RNA)
where:
Base-Base interactions energy: -191.202
where: short stacking energy: -81.268
Base-Backbone interact. energy: -0.101
local terms energy: -92.572889
where:
bonds (distance) C4'-P energy: -17.611
bonds (distance) P-C4' energy: -21.206
flat angles C4'-P-C4' energy: -14.333
flat angles P-C4'-P energy: -11.718
tors. eta vs tors. theta energy: -27.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -277.152977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.152977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.152977 (E_RNA)
where:
Base-Base interactions energy: -187.424
where: short stacking energy: -78.327
Base-Backbone interact. energy: -0.317
local terms energy: -89.412453
where:
bonds (distance) C4'-P energy: -15.951
bonds (distance) P-C4' energy: -18.833
flat angles C4'-P-C4' energy: -18.075
flat angles P-C4'-P energy: -13.315
tors. eta vs tors. theta energy: -23.239
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: 4
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -263.600146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.600146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.600146 (E_RNA)
where:
Base-Base interactions energy: -175.654
where: short stacking energy: -75.990
Base-Backbone interact. energy: -0.245
local terms energy: -87.700701
where:
bonds (distance) C4'-P energy: -16.902
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -15.620
flat angles P-C4'-P energy: -16.836
tors. eta vs tors. theta energy: -23.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -254.994263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.994263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.994263 (E_RNA)
where:
Base-Base interactions energy: -188.820
where: short stacking energy: -68.703
Base-Backbone interact. energy: -0.175
local terms energy: -65.999392
where:
bonds (distance) C4'-P energy: -11.678
bonds (distance) P-C4' energy: -16.388
flat angles C4'-P-C4' energy: -14.009
flat angles P-C4'-P energy: -10.434
tors. eta vs tors. theta energy: -13.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -158.587517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.587517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.587517 (E_RNA)
where:
Base-Base interactions energy: -91.222
where: short stacking energy: -48.724
Base-Backbone interact. energy: -0.057
local terms energy: -67.308614
where:
bonds (distance) C4'-P energy: -13.082
bonds (distance) P-C4' energy: -15.959
flat angles C4'-P-C4' energy: -12.959
flat angles P-C4'-P energy: -9.483
tors. eta vs tors. theta energy: -15.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -157.640688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.640688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.640688 (E_RNA)
where:
Base-Base interactions energy: -89.025
where: short stacking energy: -35.746
Base-Backbone interact. energy: -0.462
local terms energy: -68.153588
where:
bonds (distance) C4'-P energy: -12.192
bonds (distance) P-C4' energy: -21.497
flat angles C4'-P-C4' energy: -16.327
flat angles P-C4'-P energy: -14.566
tors. eta vs tors. theta energy: -3.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -102.126340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.126340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.126340 (E_RNA)
where:
Base-Base interactions energy: -44.949
where: short stacking energy: -35.690
Base-Backbone interact. energy: -0.512
local terms energy: -56.666167
where:
bonds (distance) C4'-P energy: -14.867
bonds (distance) P-C4' energy: -19.856
flat angles C4'-P-C4' energy: -12.691
flat angles P-C4'-P energy: -2.426
tors. eta vs tors. theta energy: -6.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -97.703502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.703502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.703502 (E_RNA)
where:
Base-Base interactions energy: -44.737
where: short stacking energy: -25.197
Base-Backbone interact. energy: 0.521
local terms energy: -53.487325
where:
bonds (distance) C4'-P energy: -10.912
bonds (distance) P-C4' energy: -20.647
flat angles C4'-P-C4' energy: -13.259
flat angles P-C4'-P energy: -7.581
tors. eta vs tors. theta energy: -1.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -291.491426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.491426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.491426 (E_RNA)
where:
Base-Base interactions energy: -193.873
where: short stacking energy: -80.664
Base-Backbone interact. energy: -0.084
local terms energy: -97.534360
where:
bonds (distance) C4'-P energy: -18.028
bonds (distance) P-C4' energy: -17.354
flat angles C4'-P-C4' energy: -21.079
flat angles P-C4'-P energy: -15.759
tors. eta vs tors. theta energy: -25.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -288.718099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.718099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.718099 (E_RNA)
where:
Base-Base interactions energy: -195.321
where: short stacking energy: -81.137
Base-Backbone interact. energy: -0.010
local terms energy: -93.387876
where:
bonds (distance) C4'-P energy: -15.949
bonds (distance) P-C4' energy: -18.826
flat angles C4'-P-C4' energy: -18.777
flat angles P-C4'-P energy: -12.696
tors. eta vs tors. theta energy: -27.139
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: 3, replica: 8
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -281.805318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.805318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.805318 (E_RNA)
where:
Base-Base interactions energy: -197.050
where: short stacking energy: -76.625
Base-Backbone interact. energy: -1.248
local terms energy: -83.507365
where:
bonds (distance) C4'-P energy: -16.880
bonds (distance) P-C4' energy: -17.891
flat angles C4'-P-C4' energy: -15.047
flat angles P-C4'-P energy: -14.085
tors. eta vs tors. theta energy: -19.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -263.746314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.746314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.746314 (E_RNA)
where:
Base-Base interactions energy: -175.795
where: short stacking energy: -71.012
Base-Backbone interact. energy: -0.127
local terms energy: -87.824147
where:
bonds (distance) C4'-P energy: -14.643
bonds (distance) P-C4' energy: -20.884
flat angles C4'-P-C4' energy: -18.329
flat angles P-C4'-P energy: -12.514
tors. eta vs tors. theta energy: -21.454
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: 4
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -268.225739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.225739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.225739 (E_RNA)
where:
Base-Base interactions energy: -177.817
where: short stacking energy: -73.545
Base-Backbone interact. energy: -0.009
local terms energy: -90.398974
where:
bonds (distance) C4'-P energy: -14.960
bonds (distance) P-C4' energy: -15.127
flat angles C4'-P-C4' energy: -19.842
flat angles P-C4'-P energy: -18.292
tors. eta vs tors. theta energy: -22.179
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: 6, replica: 1
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -247.088904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.088904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.088904 (E_RNA)
where:
Base-Base interactions energy: -170.690
where: short stacking energy: -69.855
Base-Backbone interact. energy: 0.001
local terms energy: -76.399782
where:
bonds (distance) C4'-P energy: -12.780
bonds (distance) P-C4' energy: -18.030
flat angles C4'-P-C4' energy: -13.573
flat angles P-C4'-P energy: -11.226
tors. eta vs tors. theta energy: -20.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -191.077542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.077542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.077542 (E_RNA)
where:
Base-Base interactions energy: -116.438
where: short stacking energy: -40.957
Base-Backbone interact. energy: -0.255
local terms energy: -74.383996
where:
bonds (distance) C4'-P energy: -16.195
bonds (distance) P-C4' energy: -18.104
flat angles C4'-P-C4' energy: -17.808
flat angles P-C4'-P energy: -12.895
tors. eta vs tors. theta energy: -9.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -177.027581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.027581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.027581 (E_RNA)
where:
Base-Base interactions energy: -96.696
where: short stacking energy: -50.029
Base-Backbone interact. energy: -0.188
local terms energy: -80.143898
where:
bonds (distance) C4'-P energy: -18.881
bonds (distance) P-C4' energy: -18.966
flat angles C4'-P-C4' energy: -15.389
flat angles P-C4'-P energy: -13.858
tors. eta vs tors. theta energy: -13.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -94.387463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.387463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.387463 (E_RNA)
where:
Base-Base interactions energy: -36.024
where: short stacking energy: -25.658
Base-Backbone interact. energy: 1.791
local terms energy: -60.155392
where:
bonds (distance) C4'-P energy: -13.572
bonds (distance) P-C4' energy: -20.185
flat angles C4'-P-C4' energy: -18.040
flat angles P-C4'-P energy: -5.396
tors. eta vs tors. theta energy: -2.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -88.784892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.784892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.784892 (E_RNA)
where:
Base-Base interactions energy: -39.588
where: short stacking energy: -31.124
Base-Backbone interact. energy: -0.283
local terms energy: -48.913269
where:
bonds (distance) C4'-P energy: -12.345
bonds (distance) P-C4' energy: -17.325
flat angles C4'-P-C4' energy: -10.521
flat angles P-C4'-P energy: -9.139
tors. eta vs tors. theta energy: 0.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -304.072544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -304.072544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -304.072544 (E_RNA)
where:
Base-Base interactions energy: -207.336
where: short stacking energy: -82.910
Base-Backbone interact. energy: -2.740
local terms energy: -93.995922
where:
bonds (distance) C4'-P energy: -20.409
bonds (distance) P-C4' energy: -16.843
flat angles C4'-P-C4' energy: -18.001
flat angles P-C4'-P energy: -14.018
tors. eta vs tors. theta energy: -24.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -280.449448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.449448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.449448 (E_RNA)
where:
Base-Base interactions energy: -195.966
where: short stacking energy: -75.786
Base-Backbone interact. energy: -0.158
local terms energy: -84.326187
where:
bonds (distance) C4'-P energy: -14.639
bonds (distance) P-C4' energy: -17.342
flat angles C4'-P-C4' energy: -16.071
flat angles P-C4'-P energy: -9.486
tors. eta vs tors. theta energy: -26.788
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: 9
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -273.268236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.268236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.268236 (E_RNA)
where:
Base-Base interactions energy: -178.460
where: short stacking energy: -68.670
Base-Backbone interact. energy: -1.392
local terms energy: -93.416375
where:
bonds (distance) C4'-P energy: -18.245
bonds (distance) P-C4' energy: -20.666
flat angles C4'-P-C4' energy: -18.432
flat angles P-C4'-P energy: -8.256
tors. eta vs tors. theta energy: -27.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -286.652276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.652276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.652276 (E_RNA)
where:
Base-Base interactions energy: -194.367
where: short stacking energy: -91.216
Base-Backbone interact. energy: -0.000
local terms energy: -92.284974
where:
bonds (distance) C4'-P energy: -15.305
bonds (distance) P-C4' energy: -18.047
flat angles C4'-P-C4' energy: -18.809
flat angles P-C4'-P energy: -14.773
tors. eta vs tors. theta energy: -25.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -268.918268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.918268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.918268 (E_RNA)
where:
Base-Base interactions energy: -185.376
where: short stacking energy: -77.573
Base-Backbone interact. energy: -0.002
local terms energy: -83.540366
where:
bonds (distance) C4'-P energy: -13.170
bonds (distance) P-C4' energy: -15.301
flat angles C4'-P-C4' energy: -18.097
flat angles P-C4'-P energy: -11.602
tors. eta vs tors. theta energy: -25.371
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: 1
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -253.720704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.720704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.720704 (E_RNA)
where:
Base-Base interactions energy: -164.842
where: short stacking energy: -75.130
Base-Backbone interact. energy: -0.129
local terms energy: -88.750001
where:
bonds (distance) C4'-P energy: -16.051
bonds (distance) P-C4' energy: -19.172
flat angles C4'-P-C4' energy: -18.780
flat angles P-C4'-P energy: -9.408
tors. eta vs tors. theta energy: -25.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -199.833919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.833919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.833919 (E_RNA)
where:
Base-Base interactions energy: -124.186
where: short stacking energy: -54.606
Base-Backbone interact. energy: -2.067
local terms energy: -73.580391
where:
bonds (distance) C4'-P energy: -15.922
bonds (distance) P-C4' energy: -20.689
flat angles C4'-P-C4' energy: -18.372
flat angles P-C4'-P energy: -7.492
tors. eta vs tors. theta energy: -11.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -184.911887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.911887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.911887 (E_RNA)
where:
Base-Base interactions energy: -111.436
where: short stacking energy: -55.383
Base-Backbone interact. energy: -1.132
local terms energy: -72.344765
where:
bonds (distance) C4'-P energy: -12.170
bonds (distance) P-C4' energy: -19.436
flat angles C4'-P-C4' energy: -12.563
flat angles P-C4'-P energy: -10.586
tors. eta vs tors. theta energy: -17.591
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: 10
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -90.783404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.783404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.783404 (E_RNA)
where:
Base-Base interactions energy: -37.286
where: short stacking energy: -26.863
Base-Backbone interact. energy: 0.128
local terms energy: -53.625908
where:
bonds (distance) C4'-P energy: -11.662
bonds (distance) P-C4' energy: -20.562
flat angles C4'-P-C4' energy: -16.189
flat angles P-C4'-P energy: -3.757
tors. eta vs tors. theta energy: -1.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -81.441905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.441905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.441905 (E_RNA)
where:
Base-Base interactions energy: -26.302
where: short stacking energy: -26.602
Base-Backbone interact. energy: -0.221
local terms energy: -54.919089
where:
bonds (distance) C4'-P energy: -13.245
bonds (distance) P-C4' energy: -19.142
flat angles C4'-P-C4' energy: -14.989
flat angles P-C4'-P energy: -5.697
tors. eta vs tors. theta energy: -1.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -284.711755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.711755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.711755 (E_RNA)
where:
Base-Base interactions energy: -192.376
where: short stacking energy: -85.837
Base-Backbone interact. energy: -0.001
local terms energy: -92.335102
where:
bonds (distance) C4'-P energy: -15.544
bonds (distance) P-C4' energy: -18.037
flat angles C4'-P-C4' energy: -18.607
flat angles P-C4'-P energy: -15.422
tors. eta vs tors. theta energy: -24.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -287.792257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.792257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.792257 (E_RNA)
where:
Base-Base interactions energy: -190.482
where: short stacking energy: -76.991
Base-Backbone interact. energy: -0.095
local terms energy: -97.215594
where:
bonds (distance) C4'-P energy: -21.276
bonds (distance) P-C4' energy: -20.661
flat angles C4'-P-C4' energy: -18.763
flat angles P-C4'-P energy: -11.923
tors. eta vs tors. theta energy: -24.593
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: 5
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -280.081004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.081004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.081004 (E_RNA)
where:
Base-Base interactions energy: -189.742
where: short stacking energy: -70.279
Base-Backbone interact. energy: -0.119
local terms energy: -90.219462
where:
bonds (distance) C4'-P energy: -19.238
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -17.395
flat angles P-C4'-P energy: -11.724
tors. eta vs tors. theta energy: -23.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -269.659510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.659510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.659510 (E_RNA)
where:
Base-Base interactions energy: -179.289
where: short stacking energy: -73.943
Base-Backbone interact. energy: -1.120
local terms energy: -89.250136
where:
bonds (distance) C4'-P energy: -14.320
bonds (distance) P-C4' energy: -18.780
flat angles C4'-P-C4' energy: -16.395
flat angles P-C4'-P energy: -14.465
tors. eta vs tors. theta energy: -25.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -269.517369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.517369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.517369 (E_RNA)
where:
Base-Base interactions energy: -184.674
where: short stacking energy: -66.215
Base-Backbone interact. energy: -0.099
local terms energy: -84.744520
where:
bonds (distance) C4'-P energy: -14.057
bonds (distance) P-C4' energy: -18.559
flat angles C4'-P-C4' energy: -19.102
flat angles P-C4'-P energy: -11.857
tors. eta vs tors. theta energy: -21.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -268.414560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.414560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.414560 (E_RNA)
where:
Base-Base interactions energy: -185.690
where: short stacking energy: -67.846
Base-Backbone interact. energy: -0.252
local terms energy: -82.472413
where:
bonds (distance) C4'-P energy: -14.320
bonds (distance) P-C4' energy: -20.408
flat angles C4'-P-C4' energy: -19.800
flat angles P-C4'-P energy: -8.253
tors. eta vs tors. theta energy: -19.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -186.145594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.145594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.145594 (E_RNA)
where:
Base-Base interactions energy: -115.438
where: short stacking energy: -56.651
Base-Backbone interact. energy: -0.837
local terms energy: -69.870500
where:
bonds (distance) C4'-P energy: -14.402
bonds (distance) P-C4' energy: -19.898
flat angles C4'-P-C4' energy: -13.441
flat angles P-C4'-P energy: -12.585
tors. eta vs tors. theta energy: -9.545
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: 8, replica: 7
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -223.761234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.761234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.761234 (E_RNA)
where:
Base-Base interactions energy: -146.774
where: short stacking energy: -63.051
Base-Backbone interact. energy: -0.182
local terms energy: -76.805211
where:
bonds (distance) C4'-P energy: -14.676
bonds (distance) P-C4' energy: -20.548
flat angles C4'-P-C4' energy: -18.699
flat angles P-C4'-P energy: -6.428
tors. eta vs tors. theta energy: -16.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -94.280863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.280863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.280863 (E_RNA)
where:
Base-Base interactions energy: -34.264
where: short stacking energy: -30.084
Base-Backbone interact. energy: -0.179
local terms energy: -59.837999
where:
bonds (distance) C4'-P energy: -18.612
bonds (distance) P-C4' energy: -16.149
flat angles C4'-P-C4' energy: -13.020
flat angles P-C4'-P energy: -11.120
tors. eta vs tors. theta energy: -0.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -91.138087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.138087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.138087 (E_RNA)
where:
Base-Base interactions energy: -31.422
where: short stacking energy: -26.523
Base-Backbone interact. energy: -0.251
local terms energy: -59.464738
where:
bonds (distance) C4'-P energy: -11.717
bonds (distance) P-C4' energy: -12.505
flat angles C4'-P-C4' energy: -17.763
flat angles P-C4'-P energy: -13.395
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: 3
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -289.954738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.954738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.954738 (E_RNA)
where:
Base-Base interactions energy: -189.745
where: short stacking energy: -79.874
Base-Backbone interact. energy: -2.030
local terms energy: -98.179946
where:
bonds (distance) C4'-P energy: -17.937
bonds (distance) P-C4' energy: -18.462
flat angles C4'-P-C4' energy: -19.196
flat angles P-C4'-P energy: -15.210
tors. eta vs tors. theta energy: -27.376
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: 5
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -286.244945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.244945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.244945 (E_RNA)
where:
Base-Base interactions energy: -193.247
where: short stacking energy: -84.528
Base-Backbone interact. energy: -0.496
local terms energy: -92.501940
where:
bonds (distance) C4'-P energy: -19.912
bonds (distance) P-C4' energy: -19.528
flat angles C4'-P-C4' energy: -18.044
flat angles P-C4'-P energy: -11.819
tors. eta vs tors. theta energy: -23.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -278.621717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.621717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.621717 (E_RNA)
where:
Base-Base interactions energy: -183.068
where: short stacking energy: -80.371
Base-Backbone interact. energy: -0.022
local terms energy: -95.532552
where:
bonds (distance) C4'-P energy: -19.184
bonds (distance) P-C4' energy: -18.276
flat angles C4'-P-C4' energy: -16.804
flat angles P-C4'-P energy: -15.982
tors. eta vs tors. theta energy: -25.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -268.046249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.046249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.046249 (E_RNA)
where:
Base-Base interactions energy: -181.567
where: short stacking energy: -74.845
Base-Backbone interact. energy: 0.315
local terms energy: -86.794073
where:
bonds (distance) C4'-P energy: -17.744
bonds (distance) P-C4' energy: -15.817
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -14.748
tors. eta vs tors. theta energy: -23.399
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: 9
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -268.401167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.401167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.401167 (E_RNA)
where:
Base-Base interactions energy: -174.415
where: short stacking energy: -76.005
Base-Backbone interact. energy: -2.024
local terms energy: -91.962065
where:
bonds (distance) C4'-P energy: -12.791
bonds (distance) P-C4' energy: -20.169
flat angles C4'-P-C4' energy: -20.174
flat angles P-C4'-P energy: -14.401
tors. eta vs tors. theta energy: -24.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -263.256876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.256876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.256876 (E_RNA)
where:
Base-Base interactions energy: -178.049
where: short stacking energy: -75.741
Base-Backbone interact. energy: -0.167
local terms energy: -85.040280
where:
bonds (distance) C4'-P energy: -11.703
bonds (distance) P-C4' energy: -19.182
flat angles C4'-P-C4' energy: -18.576
flat angles P-C4'-P energy: -14.292
tors. eta vs tors. theta energy: -21.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -208.487329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.487329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.487329 (E_RNA)
where:
Base-Base interactions energy: -127.274
where: short stacking energy: -57.030
Base-Backbone interact. energy: -0.203
local terms energy: -81.010202
where:
bonds (distance) C4'-P energy: -15.652
bonds (distance) P-C4' energy: -19.292
flat angles C4'-P-C4' energy: -17.250
flat angles P-C4'-P energy: -13.079
tors. eta vs tors. theta energy: -15.737
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: 7
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -198.207268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.207268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.207268 (E_RNA)
where:
Base-Base interactions energy: -126.090
where: short stacking energy: -52.380
Base-Backbone interact. energy: -0.855
local terms energy: -71.262026
where:
bonds (distance) C4'-P energy: -20.508
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -14.269
flat angles P-C4'-P energy: -8.481
tors. eta vs tors. theta energy: -11.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -90.371959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.371959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.371959 (E_RNA)
where:
Base-Base interactions energy: -35.207
where: short stacking energy: -25.256
Base-Backbone interact. energy: -0.258
local terms energy: -54.906869
where:
bonds (distance) C4'-P energy: -14.829
bonds (distance) P-C4' energy: -17.135
flat angles C4'-P-C4' energy: -13.837
flat angles P-C4'-P energy: -9.382
tors. eta vs tors. theta energy: 0.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -88.007703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.007703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.007703 (E_RNA)
where:
Base-Base interactions energy: -27.108
where: short stacking energy: -26.453
Base-Backbone interact. energy: -0.076
local terms energy: -60.823464
where:
bonds (distance) C4'-P energy: -18.738
bonds (distance) P-C4' energy: -19.144
flat angles C4'-P-C4' energy: -11.807
flat angles P-C4'-P energy: -3.958
tors. eta vs tors. theta energy: -7.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -288.226331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.226331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.226331 (E_RNA)
where:
Base-Base interactions energy: -192.583
where: short stacking energy: -80.146
Base-Backbone interact. energy: -0.002
local terms energy: -95.642020
where:
bonds (distance) C4'-P energy: -18.343
bonds (distance) P-C4' energy: -17.666
flat angles C4'-P-C4' energy: -19.409
flat angles P-C4'-P energy: -12.960
tors. eta vs tors. theta energy: -27.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -289.550726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.550726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.550726 (E_RNA)
where:
Base-Base interactions energy: -190.697
where: short stacking energy: -71.840
Base-Backbone interact. energy: -0.951
local terms energy: -97.902499
where:
bonds (distance) C4'-P energy: -15.706
bonds (distance) P-C4' energy: -20.349
flat angles C4'-P-C4' energy: -17.750
flat angles P-C4'-P energy: -17.276
tors. eta vs tors. theta energy: -26.821
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: 1
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -276.484543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.484543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.484543 (E_RNA)
where:
Base-Base interactions energy: -187.766
where: short stacking energy: -77.633
Base-Backbone interact. energy: -0.003
local terms energy: -88.715598
where:
bonds (distance) C4'-P energy: -17.159
bonds (distance) P-C4' energy: -17.972
flat angles C4'-P-C4' energy: -18.752
flat angles P-C4'-P energy: -13.381
tors. eta vs tors. theta energy: -21.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 476
Temperature: 1.050000
Total energy: -280.313184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.313184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.313184 (E_RNA)
where:
Base-Base interactions energy: -193.995
where: short stacking energy: -73.553
Base-Backbone interact. energy: -0.111
local terms energy: -86.207347
where:
bonds (distance) C4'-P energy: -18.345
bonds (distance) P-C4' energy: -13.762
flat angles C4'-P-C4' energy: -19.316
flat angles P-C4'-P energy: -12.649
tors. eta vs tors. theta energy: -22.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -273.169627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.169627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.169627 (E_RNA)
where:
Base-Base interactions energy: -191.280
where: short stacking energy: -80.578
Base-Backbone interact. energy: -0.005
local terms energy: -81.884614
where:
bonds (distance) C4'-P energy: -15.074
bonds (distance) P-C4' energy: -13.565
flat angles C4'-P-C4' energy: -17.098
flat angles P-C4'-P energy: -10.507
tors. eta vs tors. theta energy: -25.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -267.665467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.665467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.665467 (E_RNA)
where:
Base-Base interactions energy: -180.119
where: short stacking energy: -72.624
Base-Backbone interact. energy: -1.192
local terms energy: -86.354848
where:
bonds (distance) C4'-P energy: -12.155
bonds (distance) P-C4' energy: -16.485
flat angles C4'-P-C4' energy: -17.695
flat angles P-C4'-P energy: -15.945
tors. eta vs tors. theta energy: -24.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -222.886988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.886988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.886988 (E_RNA)
where:
Base-Base interactions energy: -141.482
where: short stacking energy: -62.446
Base-Backbone interact. energy: -0.026
local terms energy: -81.378645
where:
bonds (distance) C4'-P energy: -17.486
bonds (distance) P-C4' energy: -18.498
flat angles C4'-P-C4' energy: -17.986
flat angles P-C4'-P energy: -11.094
tors. eta vs tors. theta energy: -16.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -190.314126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.314126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.314126 (E_RNA)
where:
Base-Base interactions energy: -119.673
where: short stacking energy: -55.674
Base-Backbone interact. energy: -0.114
local terms energy: -70.527116
where:
bonds (distance) C4'-P energy: -15.530
bonds (distance) P-C4' energy: -16.472
flat angles C4'-P-C4' energy: -20.626
flat angles P-C4'-P energy: -7.722
tors. eta vs tors. theta energy: -10.177
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: 10
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -99.936566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.936566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.936566 (E_RNA)
where:
Base-Base interactions energy: -37.306
where: short stacking energy: -37.306
Base-Backbone interact. energy: -0.249
local terms energy: -62.381716
where:
bonds (distance) C4'-P energy: -17.757
bonds (distance) P-C4' energy: -11.104
flat angles C4'-P-C4' energy: -18.443
flat angles P-C4'-P energy: -11.195
tors. eta vs tors. theta energy: -3.883
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: 10, replica: 2
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -94.691025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.691025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.691025 (E_RNA)
where:
Base-Base interactions energy: -30.386
where: short stacking energy: -30.075
Base-Backbone interact. energy: -0.565
local terms energy: -63.739818
where:
bonds (distance) C4'-P energy: -14.684
bonds (distance) P-C4' energy: -18.032
flat angles C4'-P-C4' energy: -15.565
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: -5.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -291.663283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.663283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.663283 (E_RNA)
where:
Base-Base interactions energy: -202.829
where: short stacking energy: -77.163
Base-Backbone interact. energy: -0.223
local terms energy: -88.611518
where:
bonds (distance) C4'-P energy: -15.062
bonds (distance) P-C4' energy: -19.636
flat angles C4'-P-C4' energy: -16.754
flat angles P-C4'-P energy: -13.551
tors. eta vs tors. theta energy: -23.609
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: 2, replica: 5
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -281.629247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.629247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.629247 (E_RNA)
where:
Base-Base interactions energy: -187.304
where: short stacking energy: -77.965
Base-Backbone interact. energy: -0.487
local terms energy: -93.838346
where:
bonds (distance) C4'-P energy: -16.447
bonds (distance) P-C4' energy: -17.699
flat angles C4'-P-C4' energy: -18.842
flat angles P-C4'-P energy: -15.573
tors. eta vs tors. theta energy: -25.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -283.842388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.842388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.842388 (E_RNA)
where:
Base-Base interactions energy: -199.939
where: short stacking energy: -81.129
Base-Backbone interact. energy: -0.572
local terms energy: -83.331079
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -13.973
flat angles C4'-P-C4' energy: -21.008
flat angles P-C4'-P energy: -11.295
tors. eta vs tors. theta energy: -22.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -273.018771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.018771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.018771 (E_RNA)
where:
Base-Base interactions energy: -186.088
where: short stacking energy: -70.407
Base-Backbone interact. energy: -0.345
local terms energy: -86.585911
where:
bonds (distance) C4'-P energy: -15.086
bonds (distance) P-C4' energy: -18.584
flat angles C4'-P-C4' energy: -19.856
flat angles P-C4'-P energy: -11.406
tors. eta vs tors. theta energy: -21.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -283.542201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.542201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.542201 (E_RNA)
where:
Base-Base interactions energy: -187.064
where: short stacking energy: -79.905
Base-Backbone interact. energy: -0.098
local terms energy: -96.380988
where:
bonds (distance) C4'-P energy: -16.941
bonds (distance) P-C4' energy: -18.635
flat angles C4'-P-C4' energy: -18.419
flat angles P-C4'-P energy: -13.372
tors. eta vs tors. theta energy: -29.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -268.988597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.988597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.988597 (E_RNA)
where:
Base-Base interactions energy: -176.139
where: short stacking energy: -69.660
Base-Backbone interact. energy: -0.935
local terms energy: -91.914348
where:
bonds (distance) C4'-P energy: -20.632
bonds (distance) P-C4' energy: -19.520
flat angles C4'-P-C4' energy: -18.715
flat angles P-C4'-P energy: -12.931
tors. eta vs tors. theta energy: -20.117
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -199.452231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.452231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.452231 (E_RNA)
where:
Base-Base interactions energy: -122.754
where: short stacking energy: -54.771
Base-Backbone interact. energy: -0.177
local terms energy: -76.520871
where:
bonds (distance) C4'-P energy: -19.479
bonds (distance) P-C4' energy: -13.926
flat angles C4'-P-C4' energy: -16.966
flat angles P-C4'-P energy: -9.022
tors. eta vs tors. theta energy: -17.128
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: 7
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -184.542974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.542974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.542974 (E_RNA)
where:
Base-Base interactions energy: -111.889
where: short stacking energy: -45.732
Base-Backbone interact. energy: -0.115
local terms energy: -72.539211
where:
bonds (distance) C4'-P energy: -11.007
bonds (distance) P-C4' energy: -17.486
flat angles C4'-P-C4' energy: -16.806
flat angles P-C4'-P energy: -11.900
tors. eta vs tors. theta energy: -15.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -108.753868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.753868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.753868 (E_RNA)
where:
Base-Base interactions energy: -58.084
where: short stacking energy: -25.964
Base-Backbone interact. energy: -0.237
local terms energy: -50.432433
where:
bonds (distance) C4'-P energy: -8.590
bonds (distance) P-C4' energy: -16.551
flat angles C4'-P-C4' energy: -16.120
flat angles P-C4'-P energy: -5.634
tors. eta vs tors. theta energy: -3.537
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: 2
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -91.401962 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.401962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.401962 (E_RNA)
where:
Base-Base interactions energy: -39.678
where: short stacking energy: -32.156
Base-Backbone interact. energy: 0.011
local terms energy: -51.734427
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -19.063
flat angles C4'-P-C4' energy: -10.591
flat angles P-C4'-P energy: -8.628
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: 1, replica: 5
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -287.357875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.357875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.357875 (E_RNA)
where:
Base-Base interactions energy: -195.392
where: short stacking energy: -79.084
Base-Backbone interact. energy: -0.653
local terms energy: -91.312263
where:
bonds (distance) C4'-P energy: -19.180
bonds (distance) P-C4' energy: -18.639
flat angles C4'-P-C4' energy: -20.299
flat angles P-C4'-P energy: -11.003
tors. eta vs tors. theta energy: -22.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -288.022256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.022256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.022256 (E_RNA)
where:
Base-Base interactions energy: -194.812
where: short stacking energy: -79.474
Base-Backbone interact. energy: -0.356
local terms energy: -92.854460
where:
bonds (distance) C4'-P energy: -18.174
bonds (distance) P-C4' energy: -16.527
flat angles C4'-P-C4' energy: -20.761
flat angles P-C4'-P energy: -12.596
tors. eta vs tors. theta energy: -24.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -276.120389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.120389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.120389 (E_RNA)
where:
Base-Base interactions energy: -184.814
where: short stacking energy: -76.512
Base-Backbone interact. energy: -0.098
local terms energy: -91.207979
where:
bonds (distance) C4'-P energy: -14.198
bonds (distance) P-C4' energy: -19.267
flat angles C4'-P-C4' energy: -18.625
flat angles P-C4'-P energy: -12.213
tors. eta vs tors. theta energy: -26.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -273.041371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.041371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.041371 (E_RNA)
where:
Base-Base interactions energy: -180.949
where: short stacking energy: -78.491
Base-Backbone interact. energy: -0.003
local terms energy: -92.090176
where:
bonds (distance) C4'-P energy: -17.530
bonds (distance) P-C4' energy: -19.072
flat angles C4'-P-C4' energy: -21.897
flat angles P-C4'-P energy: -9.153
tors. eta vs tors. theta energy: -24.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -269.827438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.827438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.827438 (E_RNA)
where:
Base-Base interactions energy: -180.563
where: short stacking energy: -64.826
Base-Backbone interact. energy: -0.469
local terms energy: -88.795670
where:
bonds (distance) C4'-P energy: -19.775
bonds (distance) P-C4' energy: -17.353
flat angles C4'-P-C4' energy: -15.305
flat angles P-C4'-P energy: -14.705
tors. eta vs tors. theta energy: -21.658
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: 6, replica: 8
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -277.153531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.153531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.153531 (E_RNA)
where:
Base-Base interactions energy: -182.073
where: short stacking energy: -72.946
Base-Backbone interact. energy: -0.378
local terms energy: -94.702853
where:
bonds (distance) C4'-P energy: -20.819
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -20.011
flat angles P-C4'-P energy: -13.359
tors. eta vs tors. theta energy: -22.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -195.324363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.324363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.324363 (E_RNA)
where:
Base-Base interactions energy: -124.400
where: short stacking energy: -52.634
Base-Backbone interact. energy: -0.355
local terms energy: -70.569078
where:
bonds (distance) C4'-P energy: -11.209
bonds (distance) P-C4' energy: -18.605
flat angles C4'-P-C4' energy: -17.492
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: -11.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -167.985046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.985046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.985046 (E_RNA)
where:
Base-Base interactions energy: -109.991
where: short stacking energy: -37.384
Base-Backbone interact. energy: -0.171
local terms energy: -57.823520
where:
bonds (distance) C4'-P energy: -19.285
bonds (distance) P-C4' energy: -16.327
flat angles C4'-P-C4' energy: -15.481
flat angles P-C4'-P energy: -4.642
tors. eta vs tors. theta energy: -2.089
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: 478
Temperature: 1.300000
Total energy: -98.317132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.317132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.317132 (E_RNA)
where:
Base-Base interactions energy: -38.686
where: short stacking energy: -32.610
Base-Backbone interact. energy: -0.787
local terms energy: -58.845080
where:
bonds (distance) C4'-P energy: -18.241
bonds (distance) P-C4' energy: -20.731
flat angles C4'-P-C4' energy: -12.842
flat angles P-C4'-P energy: -7.793
tors. eta vs tors. theta energy: 0.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -103.986605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.986605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.986605 (E_RNA)
where:
Base-Base interactions energy: -36.599
where: short stacking energy: -16.317
Base-Backbone interact. energy: -0.260
local terms energy: -67.127998
where:
bonds (distance) C4'-P energy: -17.995
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -17.548
flat angles P-C4'-P energy: -11.032
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: 5
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -290.291818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.291818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.291818 (E_RNA)
where:
Base-Base interactions energy: -192.632
where: short stacking energy: -84.233
Base-Backbone interact. energy: -1.172
local terms energy: -96.488451
where:
bonds (distance) C4'-P energy: -20.790
bonds (distance) P-C4' energy: -17.226
flat angles C4'-P-C4' energy: -18.143
flat angles P-C4'-P energy: -12.968
tors. eta vs tors. theta energy: -27.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -291.737127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.737127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.737127 (E_RNA)
where:
Base-Base interactions energy: -201.077
where: short stacking energy: -87.570
Base-Backbone interact. energy: -0.541
local terms energy: -90.119522
where:
bonds (distance) C4'-P energy: -14.788
bonds (distance) P-C4' energy: -19.710
flat angles C4'-P-C4' energy: -20.162
flat angles P-C4'-P energy: -9.073
tors. eta vs tors. theta energy: -26.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -289.277481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.277481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.277481 (E_RNA)
where:
Base-Base interactions energy: -190.531
where: short stacking energy: -82.533
Base-Backbone interact. energy: -0.011
local terms energy: -98.734834
where:
bonds (distance) C4'-P energy: -20.617
bonds (distance) P-C4' energy: -16.071
flat angles C4'-P-C4' energy: -19.267
flat angles P-C4'-P energy: -13.328
tors. eta vs tors. theta energy: -29.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -275.551544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.551544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.551544 (E_RNA)
where:
Base-Base interactions energy: -189.097
where: short stacking energy: -72.046
Base-Backbone interact. energy: 0.579
local terms energy: -87.033171
where:
bonds (distance) C4'-P energy: -14.811
bonds (distance) P-C4' energy: -17.366
flat angles C4'-P-C4' energy: -16.804
flat angles P-C4'-P energy: -13.893
tors. eta vs tors. theta energy: -24.160
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: 9
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -270.664839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.664839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.664839 (E_RNA)
where:
Base-Base interactions energy: -186.474
where: short stacking energy: -78.851
Base-Backbone interact. energy: -0.302
local terms energy: -83.888602
where:
bonds (distance) C4'-P energy: -10.776
bonds (distance) P-C4' energy: -17.885
flat angles C4'-P-C4' energy: -15.936
flat angles P-C4'-P energy: -13.567
tors. eta vs tors. theta energy: -25.724
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: 6, replica: 8
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -271.621775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.621775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.621775 (E_RNA)
where:
Base-Base interactions energy: -183.479
where: short stacking energy: -78.314
Base-Backbone interact. energy: -0.041
local terms energy: -88.101903
where:
bonds (distance) C4'-P energy: -14.888
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -18.681
flat angles P-C4'-P energy: -15.584
tors. eta vs tors. theta energy: -21.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -204.429222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.429222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.429222 (E_RNA)
where:
Base-Base interactions energy: -134.891
where: short stacking energy: -53.072
Base-Backbone interact. energy: -0.814
local terms energy: -68.724618
where:
bonds (distance) C4'-P energy: -18.078
bonds (distance) P-C4' energy: -16.478
flat angles C4'-P-C4' energy: -10.073
flat angles P-C4'-P energy: -11.647
tors. eta vs tors. theta energy: -12.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -176.738992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.738992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.738992 (E_RNA)
where:
Base-Base interactions energy: -113.461
where: short stacking energy: -40.902
Base-Backbone interact. energy: -0.480
local terms energy: -62.798203
where:
bonds (distance) C4'-P energy: -15.019
bonds (distance) P-C4' energy: -17.151
flat angles C4'-P-C4' energy: -11.413
flat angles P-C4'-P energy: -13.382
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: 9, replica: 2
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -89.403512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.403512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.403512 (E_RNA)
where:
Base-Base interactions energy: -25.600
where: short stacking energy: -25.600
Base-Backbone interact. energy: -1.025
local terms energy: -62.778500
where:
bonds (distance) C4'-P energy: -18.344
bonds (distance) P-C4' energy: -19.080
flat angles C4'-P-C4' energy: -15.168
flat angles P-C4'-P energy: -12.896
tors. eta vs tors. theta energy: 2.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -81.669339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.669339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.669339 (E_RNA)
where:
Base-Base interactions energy: -25.630
where: short stacking energy: -20.754
Base-Backbone interact. energy: 2.572
local terms energy: -58.611021
where:
bonds (distance) C4'-P energy: -16.067
bonds (distance) P-C4' energy: -15.155
flat angles C4'-P-C4' energy: -15.782
flat angles P-C4'-P energy: -12.012
tors. eta vs tors. theta energy: 0.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -298.207797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.207797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.207797 (E_RNA)
where:
Base-Base interactions energy: -199.159
where: short stacking energy: -84.980
Base-Backbone interact. energy: -0.000
local terms energy: -99.048334
where:
bonds (distance) C4'-P energy: -16.863
bonds (distance) P-C4' energy: -20.954
flat angles C4'-P-C4' energy: -17.952
flat angles P-C4'-P energy: -17.297
tors. eta vs tors. theta energy: -25.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -285.899272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.899272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.899272 (E_RNA)
where:
Base-Base interactions energy: -197.457
where: short stacking energy: -78.125
Base-Backbone interact. energy: -1.606
local terms energy: -86.836708
where:
bonds (distance) C4'-P energy: -19.246
bonds (distance) P-C4' energy: -15.586
flat angles C4'-P-C4' energy: -18.810
flat angles P-C4'-P energy: -9.879
tors. eta vs tors. theta energy: -23.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -274.919008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.919008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.919008 (E_RNA)
where:
Base-Base interactions energy: -186.022
where: short stacking energy: -73.455
Base-Backbone interact. energy: -0.688
local terms energy: -88.208350
where:
bonds (distance) C4'-P energy: -17.839
bonds (distance) P-C4' energy: -17.387
flat angles C4'-P-C4' energy: -16.745
flat angles P-C4'-P energy: -12.697
tors. eta vs tors. theta energy: -23.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -277.932968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.932968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.932968 (E_RNA)
where:
Base-Base interactions energy: -191.392
where: short stacking energy: -81.111
Base-Backbone interact. energy: -0.178
local terms energy: -86.363350
where:
bonds (distance) C4'-P energy: -18.472
bonds (distance) P-C4' energy: -12.290
flat angles C4'-P-C4' energy: -16.067
flat angles P-C4'-P energy: -11.864
tors. eta vs tors. theta energy: -27.670
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: 5, replica: 8
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -270.257127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.257127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.257127 (E_RNA)
where:
Base-Base interactions energy: -188.650
where: short stacking energy: -71.854
Base-Backbone interact. energy: -0.869
local terms energy: -80.738080
where:
bonds (distance) C4'-P energy: -16.596
bonds (distance) P-C4' energy: -13.399
flat angles C4'-P-C4' energy: -19.517
flat angles P-C4'-P energy: -12.821
tors. eta vs tors. theta energy: -18.405
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -263.251805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.251805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.251805 (E_RNA)
where:
Base-Base interactions energy: -185.037
where: short stacking energy: -70.682
Base-Backbone interact. energy: -0.685
local terms energy: -77.529620
where:
bonds (distance) C4'-P energy: -12.461
bonds (distance) P-C4' energy: -15.216
flat angles C4'-P-C4' energy: -15.847
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -22.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -219.874560 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.874560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.874560 (E_RNA)
where:
Base-Base interactions energy: -143.616
where: short stacking energy: -53.233
Base-Backbone interact. energy: -1.415
local terms energy: -74.844116
where:
bonds (distance) C4'-P energy: -11.103
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -20.162
flat angles P-C4'-P energy: -8.318
tors. eta vs tors. theta energy: -18.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -137.641380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.641380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.641380 (E_RNA)
where:
Base-Base interactions energy: -80.771
where: short stacking energy: -34.204
Base-Backbone interact. energy: -0.348
local terms energy: -56.523258
where:
bonds (distance) C4'-P energy: -17.031
bonds (distance) P-C4' energy: -13.977
flat angles C4'-P-C4' energy: -15.981
flat angles P-C4'-P energy: -8.312
tors. eta vs tors. theta energy: -1.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -95.569514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.569514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.569514 (E_RNA)
where:
Base-Base interactions energy: -34.091
where: short stacking energy: -31.006
Base-Backbone interact. energy: -0.176
local terms energy: -61.302237
where:
bonds (distance) C4'-P energy: -15.012
bonds (distance) P-C4' energy: -11.513
flat angles C4'-P-C4' energy: -14.894
flat angles P-C4'-P energy: -12.760
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: 10, replica: 2
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -85.212397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.212397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.212397 (E_RNA)
where:
Base-Base interactions energy: -42.273
where: short stacking energy: -20.936
Base-Backbone interact. energy: -0.826
local terms energy: -42.113690
where:
bonds (distance) C4'-P energy: -9.095
bonds (distance) P-C4' energy: -16.721
flat angles C4'-P-C4' energy: -11.324
flat angles P-C4'-P energy: -9.155
tors. eta vs tors. theta energy: 4.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -295.571449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.571449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.571449 (E_RNA)
where:
Base-Base interactions energy: -201.367
where: short stacking energy: -85.901
Base-Backbone interact. energy: -0.002
local terms energy: -94.202459
where:
bonds (distance) C4'-P energy: -14.765
bonds (distance) P-C4' energy: -18.925
flat angles C4'-P-C4' energy: -19.438
flat angles P-C4'-P energy: -14.548
tors. eta vs tors. theta energy: -26.526
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: 2, replica: 3
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -289.489022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.489022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.489022 (E_RNA)
where:
Base-Base interactions energy: -189.289
where: short stacking energy: -82.349
Base-Backbone interact. energy: -0.054
local terms energy: -100.146972
where:
bonds (distance) C4'-P energy: -19.407
bonds (distance) P-C4' energy: -20.866
flat angles C4'-P-C4' energy: -20.235
flat angles P-C4'-P energy: -13.571
tors. eta vs tors. theta energy: -26.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -285.701551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.701551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.701551 (E_RNA)
where:
Base-Base interactions energy: -198.600
where: short stacking energy: -74.165
Base-Backbone interact. energy: -1.327
local terms energy: -85.774302
where:
bonds (distance) C4'-P energy: -13.286
bonds (distance) P-C4' energy: -21.494
flat angles C4'-P-C4' energy: -19.657
flat angles P-C4'-P energy: -11.239
tors. eta vs tors. theta energy: -20.098
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -281.156089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.156089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.156089 (E_RNA)
where:
Base-Base interactions energy: -188.108
where: short stacking energy: -74.512
Base-Backbone interact. energy: -0.515
local terms energy: -92.532909
where:
bonds (distance) C4'-P energy: -17.515
bonds (distance) P-C4' energy: -17.066
flat angles C4'-P-C4' energy: -19.082
flat angles P-C4'-P energy: -13.474
tors. eta vs tors. theta energy: -25.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -266.165025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.165025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.165025 (E_RNA)
where:
Base-Base interactions energy: -184.799
where: short stacking energy: -68.107
Base-Backbone interact. energy: -0.181
local terms energy: -81.184534
where:
bonds (distance) C4'-P energy: -18.481
bonds (distance) P-C4' energy: -14.408
flat angles C4'-P-C4' energy: -12.450
flat angles P-C4'-P energy: -15.287
tors. eta vs tors. theta energy: -20.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -228.342789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.342789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.342789 (E_RNA)
where:
Base-Base interactions energy: -152.879
where: short stacking energy: -67.430
Base-Backbone interact. energy: -0.274
local terms energy: -75.189906
where:
bonds (distance) C4'-P energy: -15.691
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -18.246
flat angles P-C4'-P energy: -6.756
tors. eta vs tors. theta energy: -19.211
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: 9
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -272.654213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.654213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.654213 (E_RNA)
where:
Base-Base interactions energy: -190.646
where: short stacking energy: -65.145
Base-Backbone interact. energy: -0.439
local terms energy: -81.569844
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -16.672
flat angles C4'-P-C4' energy: -19.942
flat angles P-C4'-P energy: -9.374
tors. eta vs tors. theta energy: -19.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -190.193376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.193376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.193376 (E_RNA)
where:
Base-Base interactions energy: -112.807
where: short stacking energy: -62.893
Base-Backbone interact. energy: -0.428
local terms energy: -76.959188
where:
bonds (distance) C4'-P energy: -15.222
bonds (distance) P-C4' energy: -18.452
flat angles C4'-P-C4' energy: -16.087
flat angles P-C4'-P energy: -11.137
tors. eta vs tors. theta energy: -16.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -104.263784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.263784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.263784 (E_RNA)
where:
Base-Base interactions energy: -44.335
where: short stacking energy: -33.914
Base-Backbone interact. energy: -0.258
local terms energy: -59.671510
where:
bonds (distance) C4'-P energy: -17.880
bonds (distance) P-C4' energy: -12.554
flat angles C4'-P-C4' energy: -10.414
flat angles P-C4'-P energy: -11.914
tors. eta vs tors. theta energy: -6.909
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: 481
Temperature: 1.350000
Total energy: -79.187378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.187378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.187378 (E_RNA)
where:
Base-Base interactions energy: -24.455
where: short stacking energy: -20.992
Base-Backbone interact. energy: -0.504
local terms energy: -54.229096
where:
bonds (distance) C4'-P energy: -17.776
bonds (distance) P-C4' energy: -18.857
flat angles C4'-P-C4' energy: -12.217
flat angles P-C4'-P energy: -8.737
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: 1, replica: 5
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -289.510076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.510076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.510076 (E_RNA)
where:
Base-Base interactions energy: -194.996
where: short stacking energy: -78.554
Base-Backbone interact. energy: -2.380
local terms energy: -92.133651
where:
bonds (distance) C4'-P energy: -21.481
bonds (distance) P-C4' energy: -14.456
flat angles C4'-P-C4' energy: -18.728
flat angles P-C4'-P energy: -12.662
tors. eta vs tors. theta energy: -24.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -293.755880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.755880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.755880 (E_RNA)
where:
Base-Base interactions energy: -197.665
where: short stacking energy: -80.126
Base-Backbone interact. energy: 1.776
local terms energy: -97.867405
where:
bonds (distance) C4'-P energy: -16.606
bonds (distance) P-C4' energy: -21.097
flat angles C4'-P-C4' energy: -20.593
flat angles P-C4'-P energy: -14.159
tors. eta vs tors. theta energy: -25.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -280.550365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.550365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.550365 (E_RNA)
where:
Base-Base interactions energy: -191.600
where: short stacking energy: -73.815
Base-Backbone interact. energy: -0.390
local terms energy: -88.560060
where:
bonds (distance) C4'-P energy: -17.317
bonds (distance) P-C4' energy: -19.746
flat angles C4'-P-C4' energy: -17.844
flat angles P-C4'-P energy: -11.799
tors. eta vs tors. theta energy: -21.854
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: 4, replica: 8
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -284.971464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.971464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.971464 (E_RNA)
where:
Base-Base interactions energy: -189.297
where: short stacking energy: -79.139
Base-Backbone interact. energy: 0.431
local terms energy: -96.105059
where:
bonds (distance) C4'-P energy: -16.622
bonds (distance) P-C4' energy: -19.912
flat angles C4'-P-C4' energy: -20.945
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -26.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -274.974192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.974192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.974192 (E_RNA)
where:
Base-Base interactions energy: -187.402
where: short stacking energy: -72.460
Base-Backbone interact. energy: -0.122
local terms energy: -87.450134
where:
bonds (distance) C4'-P energy: -14.601
bonds (distance) P-C4' energy: -18.062
flat angles C4'-P-C4' energy: -18.451
flat angles P-C4'-P energy: -11.855
tors. eta vs tors. theta energy: -24.481
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: 6
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -228.533941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.533941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.533941 (E_RNA)
where:
Base-Base interactions energy: -157.438
where: short stacking energy: -61.344
Base-Backbone interact. energy: -0.211
local terms energy: -70.884693
where:
bonds (distance) C4'-P energy: -19.598
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -16.165
flat angles P-C4'-P energy: -4.066
tors. eta vs tors. theta energy: -13.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -263.127532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.127532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.127532 (E_RNA)
where:
Base-Base interactions energy: -187.488
where: short stacking energy: -65.229
Base-Backbone interact. energy: -0.632
local terms energy: -75.007630
where:
bonds (distance) C4'-P energy: -9.629
bonds (distance) P-C4' energy: -18.009
flat angles C4'-P-C4' energy: -17.041
flat angles P-C4'-P energy: -13.165
tors. eta vs tors. theta energy: -17.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -145.418988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.418988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.418988 (E_RNA)
where:
Base-Base interactions energy: -82.748
where: short stacking energy: -38.426
Base-Backbone interact. energy: -0.417
local terms energy: -62.253891
where:
bonds (distance) C4'-P energy: -13.489
bonds (distance) P-C4' energy: -15.565
flat angles C4'-P-C4' energy: -12.182
flat angles P-C4'-P energy: -13.220
tors. eta vs tors. theta energy: -7.798
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: 482
Temperature: 1.300000
Total energy: -103.324336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.324336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.324336 (E_RNA)
where:
Base-Base interactions energy: -37.314
where: short stacking energy: -30.767
Base-Backbone interact. energy: -0.192
local terms energy: -65.818444
where:
bonds (distance) C4'-P energy: -14.217
bonds (distance) P-C4' energy: -17.706
flat angles C4'-P-C4' energy: -18.040
flat angles P-C4'-P energy: -9.240
tors. eta vs tors. theta energy: -6.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -87.521513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.521513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.521513 (E_RNA)
where:
Base-Base interactions energy: -36.087
where: short stacking energy: -23.705
Base-Backbone interact. energy: -0.044
local terms energy: -51.390790
where:
bonds (distance) C4'-P energy: -11.773
bonds (distance) P-C4' energy: -16.396
flat angles C4'-P-C4' energy: -13.913
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -0.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -294.178306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.178306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.178306 (E_RNA)
where:
Base-Base interactions energy: -199.411
where: short stacking energy: -74.565
Base-Backbone interact. energy: -1.194
local terms energy: -93.573119
where:
bonds (distance) C4'-P energy: -18.919
bonds (distance) P-C4' energy: -19.594
flat angles C4'-P-C4' energy: -19.523
flat angles P-C4'-P energy: -13.597
tors. eta vs tors. theta energy: -21.940
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -289.423852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.423852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.423852 (E_RNA)
where:
Base-Base interactions energy: -194.539
where: short stacking energy: -76.490
Base-Backbone interact. energy: -0.528
local terms energy: -94.356792
where:
bonds (distance) C4'-P energy: -15.231
bonds (distance) P-C4' energy: -18.381
flat angles C4'-P-C4' energy: -21.392
flat angles P-C4'-P energy: -12.866
tors. eta vs tors. theta energy: -26.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -284.121898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.121898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.121898 (E_RNA)
where:
Base-Base interactions energy: -200.632
where: short stacking energy: -76.732
Base-Backbone interact. energy: -0.692
local terms energy: -82.797651
where:
bonds (distance) C4'-P energy: -13.926
bonds (distance) P-C4' energy: -19.575
flat angles C4'-P-C4' energy: -16.489
flat angles P-C4'-P energy: -12.373
tors. eta vs tors. theta energy: -20.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -282.165892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.165892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.165892 (E_RNA)
where:
Base-Base interactions energy: -191.653
where: short stacking energy: -86.051
Base-Backbone interact. energy: -1.322
local terms energy: -89.190858
where:
bonds (distance) C4'-P energy: -15.989
bonds (distance) P-C4' energy: -11.092
flat angles C4'-P-C4' energy: -20.355
flat angles P-C4'-P energy: -14.644
tors. eta vs tors. theta energy: -27.111
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: 483
Temperature: 1.100000
Total energy: -276.672091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.672091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.672091 (E_RNA)
where:
Base-Base interactions energy: -183.881
where: short stacking energy: -71.483
Base-Backbone interact. energy: -2.101
local terms energy: -90.690143
where:
bonds (distance) C4'-P energy: -16.925
bonds (distance) P-C4' energy: -19.249
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -16.222
tors. eta vs tors. theta energy: -24.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -255.549211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.549211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.549211 (E_RNA)
where:
Base-Base interactions energy: -183.201
where: short stacking energy: -73.503
Base-Backbone interact. energy: -0.195
local terms energy: -72.153138
where:
bonds (distance) C4'-P energy: -8.330
bonds (distance) P-C4' energy: -19.443
flat angles C4'-P-C4' energy: -20.563
flat angles P-C4'-P energy: -3.528
tors. eta vs tors. theta energy: -20.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -226.439603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.439603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.439603 (E_RNA)
where:
Base-Base interactions energy: -145.968
where: short stacking energy: -56.954
Base-Backbone interact. energy: -0.541
local terms energy: -79.931138
where:
bonds (distance) C4'-P energy: -15.169
bonds (distance) P-C4' energy: -19.380
flat angles C4'-P-C4' energy: -19.838
flat angles P-C4'-P energy: -6.636
tors. eta vs tors. theta energy: -18.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -97.916966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.916966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.916966 (E_RNA)
where:
Base-Base interactions energy: -33.876
where: short stacking energy: -31.578
Base-Backbone interact. energy: -0.724
local terms energy: -63.317653
where:
bonds (distance) C4'-P energy: -13.153
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -16.290
flat angles P-C4'-P energy: -10.970
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: 9, replica: 7
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -97.107834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.107834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.107834 (E_RNA)
where:
Base-Base interactions energy: -36.797
where: short stacking energy: -32.601
Base-Backbone interact. energy: -0.140
local terms energy: -60.171429
where:
bonds (distance) C4'-P energy: -16.782
bonds (distance) P-C4' energy: -16.304
flat angles C4'-P-C4' energy: -19.694
flat angles P-C4'-P energy: -7.688
tors. eta vs tors. theta energy: 0.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -85.826847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.826847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.826847 (E_RNA)
where:
Base-Base interactions energy: -31.826
where: short stacking energy: -30.612
Base-Backbone interact. energy: -0.360
local terms energy: -53.640025
where:
bonds (distance) C4'-P energy: -18.859
bonds (distance) P-C4' energy: -12.198
flat angles C4'-P-C4' energy: -10.754
flat angles P-C4'-P energy: -10.829
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: 1, replica: 5
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -291.351894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.351894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.351894 (E_RNA)
where:
Base-Base interactions energy: -200.342
where: short stacking energy: -80.308
Base-Backbone interact. energy: -0.653
local terms energy: -90.356897
where:
bonds (distance) C4'-P energy: -16.890
bonds (distance) P-C4' energy: -20.825
flat angles C4'-P-C4' energy: -20.029
flat angles P-C4'-P energy: -12.221
tors. eta vs tors. theta energy: -20.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -282.996537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.996537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.996537 (E_RNA)
where:
Base-Base interactions energy: -192.798
where: short stacking energy: -82.959
Base-Backbone interact. energy: -1.355
local terms energy: -88.842696
where:
bonds (distance) C4'-P energy: -14.010
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -18.678
flat angles P-C4'-P energy: -14.970
tors. eta vs tors. theta energy: -27.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -281.668128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.668128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.668128 (E_RNA)
where:
Base-Base interactions energy: -187.483
where: short stacking energy: -69.175
Base-Backbone interact. energy: -0.258
local terms energy: -93.927415
where:
bonds (distance) C4'-P energy: -18.875
bonds (distance) P-C4' energy: -20.733
flat angles C4'-P-C4' energy: -18.159
flat angles P-C4'-P energy: -11.836
tors. eta vs tors. theta energy: -24.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -279.503432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.503432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.503432 (E_RNA)
where:
Base-Base interactions energy: -188.703
where: short stacking energy: -81.393
Base-Backbone interact. energy: -0.848
local terms energy: -89.952106
where:
bonds (distance) C4'-P energy: -18.995
bonds (distance) P-C4' energy: -17.481
flat angles C4'-P-C4' energy: -20.513
flat angles P-C4'-P energy: -9.145
tors. eta vs tors. theta energy: -23.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -280.225352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.225352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.225352 (E_RNA)
where:
Base-Base interactions energy: -186.143
where: short stacking energy: -75.366
Base-Backbone interact. energy: -1.134
local terms energy: -92.948968
where:
bonds (distance) C4'-P energy: -16.096
bonds (distance) P-C4' energy: -18.053
flat angles C4'-P-C4' energy: -20.127
flat angles P-C4'-P energy: -15.811
tors. eta vs tors. theta energy: -22.861
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: 8
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -274.523169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.523169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.523169 (E_RNA)
where:
Base-Base interactions energy: -186.134
where: short stacking energy: -73.853
Base-Backbone interact. energy: -0.429
local terms energy: -87.960442
where:
bonds (distance) C4'-P energy: -15.368
bonds (distance) P-C4' energy: -16.817
flat angles C4'-P-C4' energy: -20.503
flat angles P-C4'-P energy: -12.355
tors. eta vs tors. theta energy: -22.918
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: 6
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -205.182138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.182138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.182138 (E_RNA)
where:
Base-Base interactions energy: -125.867
where: short stacking energy: -54.327
Base-Backbone interact. energy: -0.165
local terms energy: -79.149828
where:
bonds (distance) C4'-P energy: -17.702
bonds (distance) P-C4' energy: -19.559
flat angles C4'-P-C4' energy: -19.032
flat angles P-C4'-P energy: -10.395
tors. eta vs tors. theta energy: -12.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -109.872312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.872312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.872312 (E_RNA)
where:
Base-Base interactions energy: -61.401
where: short stacking energy: -29.521
Base-Backbone interact. energy: 0.779
local terms energy: -49.250578
where:
bonds (distance) C4'-P energy: -15.044
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -14.462
flat angles P-C4'-P energy: -5.835
tors. eta vs tors. theta energy: 1.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -87.282547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.282547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.282547 (E_RNA)
where:
Base-Base interactions energy: -25.874
where: short stacking energy: -25.874
Base-Backbone interact. energy: -0.002
local terms energy: -61.406532
where:
bonds (distance) C4'-P energy: -13.844
bonds (distance) P-C4' energy: -17.985
flat angles C4'-P-C4' energy: -13.731
flat angles P-C4'-P energy: -11.203
tors. eta vs tors. theta energy: -4.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -93.041479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.041479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.041479 (E_RNA)
where:
Base-Base interactions energy: -34.937
where: short stacking energy: -21.037
Base-Backbone interact. energy: -0.084
local terms energy: -58.020529
where:
bonds (distance) C4'-P energy: -19.541
bonds (distance) P-C4' energy: -17.902
flat angles C4'-P-C4' energy: -8.940
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -2.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -286.933735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.933735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.933735 (E_RNA)
where:
Base-Base interactions energy: -195.453
where: short stacking energy: -76.890
Base-Backbone interact. energy: -1.042
local terms energy: -90.439620
where:
bonds (distance) C4'-P energy: -18.171
bonds (distance) P-C4' energy: -18.198
flat angles C4'-P-C4' energy: -18.970
flat angles P-C4'-P energy: -12.478
tors. eta vs tors. theta energy: -22.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -290.959688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.959688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.959688 (E_RNA)
where:
Base-Base interactions energy: -195.863
where: short stacking energy: -85.501
Base-Backbone interact. energy: -1.014
local terms energy: -94.082758
where:
bonds (distance) C4'-P energy: -17.892
bonds (distance) P-C4' energy: -20.564
flat angles C4'-P-C4' energy: -14.356
flat angles P-C4'-P energy: -15.141
tors. eta vs tors. theta energy: -26.130
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: 3
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -289.677580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.677580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.677580 (E_RNA)
where:
Base-Base interactions energy: -197.311
where: short stacking energy: -78.990
Base-Backbone interact. energy: -0.675
local terms energy: -91.691138
where:
bonds (distance) C4'-P energy: -17.562
bonds (distance) P-C4' energy: -18.650
flat angles C4'-P-C4' energy: -15.209
flat angles P-C4'-P energy: -13.597
tors. eta vs tors. theta energy: -26.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -278.957708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.957708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.957708 (E_RNA)
where:
Base-Base interactions energy: -188.859
where: short stacking energy: -79.258
Base-Backbone interact. energy: -0.081
local terms energy: -90.016921
where:
bonds (distance) C4'-P energy: -16.945
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -19.318
flat angles P-C4'-P energy: -11.371
tors. eta vs tors. theta energy: -25.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -269.431964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.431964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.431964 (E_RNA)
where:
Base-Base interactions energy: -175.956
where: short stacking energy: -75.078
Base-Backbone interact. energy: -1.114
local terms energy: -92.362028
where:
bonds (distance) C4'-P energy: -16.991
bonds (distance) P-C4' energy: -20.243
flat angles C4'-P-C4' energy: -19.273
flat angles P-C4'-P energy: -15.132
tors. eta vs tors. theta energy: -20.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -252.232535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.232535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.232535 (E_RNA)
where:
Base-Base interactions energy: -168.854
where: short stacking energy: -69.876
Base-Backbone interact. energy: -0.245
local terms energy: -83.133215
where:
bonds (distance) C4'-P energy: -15.881
bonds (distance) P-C4' energy: -19.638
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -12.557
tors. eta vs tors. theta energy: -19.002
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: 485
Temperature: 1.200000
Total energy: -220.178353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.178353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.178353 (E_RNA)
where:
Base-Base interactions energy: -153.888
where: short stacking energy: -69.326
Base-Backbone interact. energy: 0.149
local terms energy: -66.439061
where:
bonds (distance) C4'-P energy: -15.620
bonds (distance) P-C4' energy: -8.359
flat angles C4'-P-C4' energy: -10.198
flat angles P-C4'-P energy: -12.984
tors. eta vs tors. theta energy: -19.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -141.546626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.546626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.546626 (E_RNA)
where:
Base-Base interactions energy: -74.247
where: short stacking energy: -40.195
Base-Backbone interact. energy: -1.049
local terms energy: -66.250547
where:
bonds (distance) C4'-P energy: -19.652
bonds (distance) P-C4' energy: -19.443
flat angles C4'-P-C4' energy: -7.482
flat angles P-C4'-P energy: -9.398
tors. eta vs tors. theta energy: -10.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -91.644738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.644738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.644738 (E_RNA)
where:
Base-Base interactions energy: -37.355
where: short stacking energy: -29.688
Base-Backbone interact. energy: -0.231
local terms energy: -54.058482
where:
bonds (distance) C4'-P energy: -13.870
bonds (distance) P-C4' energy: -13.822
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -7.035
tors. eta vs tors. theta energy: -4.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -86.408603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.408603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.408603 (E_RNA)
where:
Base-Base interactions energy: -21.181
where: short stacking energy: -18.913
Base-Backbone interact. energy: -1.458
local terms energy: -63.769036
where:
bonds (distance) C4'-P energy: -17.333
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -16.280
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: -2.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -287.971391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.971391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.971391 (E_RNA)
where:
Base-Base interactions energy: -198.371
where: short stacking energy: -87.550
Base-Backbone interact. energy: -0.133
local terms energy: -89.466938
where:
bonds (distance) C4'-P energy: -14.576
bonds (distance) P-C4' energy: -19.994
flat angles C4'-P-C4' energy: -18.681
flat angles P-C4'-P energy: -10.124
tors. eta vs tors. theta energy: -26.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -289.662725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.662725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.662725 (E_RNA)
where:
Base-Base interactions energy: -193.062
where: short stacking energy: -81.937
Base-Backbone interact. energy: -1.190
local terms energy: -95.410458
where:
bonds (distance) C4'-P energy: -13.719
bonds (distance) P-C4' energy: -18.424
flat angles C4'-P-C4' energy: -20.595
flat angles P-C4'-P energy: -17.375
tors. eta vs tors. theta energy: -25.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -287.014495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.014495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.014495 (E_RNA)
where:
Base-Base interactions energy: -188.020
where: short stacking energy: -82.216
Base-Backbone interact. energy: -1.690
local terms energy: -97.304043
where:
bonds (distance) C4'-P energy: -16.694
bonds (distance) P-C4' energy: -21.912
flat angles C4'-P-C4' energy: -18.539
flat angles P-C4'-P energy: -15.295
tors. eta vs tors. theta energy: -24.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 9
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -279.899014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.899014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.899014 (E_RNA)
where:
Base-Base interactions energy: -192.298
where: short stacking energy: -75.038
Base-Backbone interact. energy: 0.089
local terms energy: -87.690190
where:
bonds (distance) C4'-P energy: -16.998
bonds (distance) P-C4' energy: -22.399
flat angles C4'-P-C4' energy: -12.920
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: -23.240
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: 4
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -282.364895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.364895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.364895 (E_RNA)
where:
Base-Base interactions energy: -185.525
where: short stacking energy: -77.571
Base-Backbone interact. energy: -1.893
local terms energy: -94.946731
where:
bonds (distance) C4'-P energy: -17.994
bonds (distance) P-C4' energy: -18.331
flat angles C4'-P-C4' energy: -16.755
flat angles P-C4'-P energy: -13.993
tors. eta vs tors. theta energy: -27.874
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: 6, replica: 8
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -269.614134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.614134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.614134 (E_RNA)
where:
Base-Base interactions energy: -175.756
where: short stacking energy: -76.975
Base-Backbone interact. energy: -0.054
local terms energy: -93.804058
where:
bonds (distance) C4'-P energy: -19.358
bonds (distance) P-C4' energy: -18.139
flat angles C4'-P-C4' energy: -19.817
flat angles P-C4'-P energy: -15.365
tors. eta vs tors. theta energy: -21.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -269.226179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.226179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.226179 (E_RNA)
where:
Base-Base interactions energy: -188.901
where: short stacking energy: -76.365
Base-Backbone interact. energy: 0.890
local terms energy: -81.214983
where:
bonds (distance) C4'-P energy: -18.062
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -5.912
tors. eta vs tors. theta energy: -24.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -111.684767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.684767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.684767 (E_RNA)
where:
Base-Base interactions energy: -57.304
where: short stacking energy: -39.796
Base-Backbone interact. energy: -0.175
local terms energy: -54.205668
where:
bonds (distance) C4'-P energy: -13.081
bonds (distance) P-C4' energy: -18.649
flat angles C4'-P-C4' energy: -13.975
flat angles P-C4'-P energy: -6.879
tors. eta vs tors. theta energy: -1.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -93.339948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.339948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.339948 (E_RNA)
where:
Base-Base interactions energy: -32.764
where: short stacking energy: -27.579
Base-Backbone interact. energy: -0.324
local terms energy: -60.252681
where:
bonds (distance) C4'-P energy: -12.611
bonds (distance) P-C4' energy: -18.815
flat angles C4'-P-C4' energy: -16.438
flat angles P-C4'-P energy: -14.493
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: 10, replica: 10
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -93.062676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.062676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.062676 (E_RNA)
where:
Base-Base interactions energy: -31.209
where: short stacking energy: -24.767
Base-Backbone interact. energy: 0.080
local terms energy: -61.933547
where:
bonds (distance) C4'-P energy: -14.723
bonds (distance) P-C4' energy: -13.701
flat angles C4'-P-C4' energy: -17.004
flat angles P-C4'-P energy: -12.827
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: 1, replica: 1
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -284.204814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.204814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.204814 (E_RNA)
where:
Base-Base interactions energy: -192.596
where: short stacking energy: -82.327
Base-Backbone interact. energy: 1.720
local terms energy: -93.328253
where:
bonds (distance) C4'-P energy: -13.569
bonds (distance) P-C4' energy: -18.217
flat angles C4'-P-C4' energy: -19.048
flat angles P-C4'-P energy: -17.883
tors. eta vs tors. theta energy: -24.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -288.023928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.023928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.023928 (E_RNA)
where:
Base-Base interactions energy: -191.374
where: short stacking energy: -75.620
Base-Backbone interact. energy: -0.683
local terms energy: -95.966877
where:
bonds (distance) C4'-P energy: -19.007
bonds (distance) P-C4' energy: -18.724
flat angles C4'-P-C4' energy: -20.113
flat angles P-C4'-P energy: -14.064
tors. eta vs tors. theta energy: -24.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -279.725364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.725364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.725364 (E_RNA)
where:
Base-Base interactions energy: -197.254
where: short stacking energy: -75.602
Base-Backbone interact. energy: -0.220
local terms energy: -82.251257
where:
bonds (distance) C4'-P energy: -18.614
bonds (distance) P-C4' energy: -15.310
flat angles C4'-P-C4' energy: -14.389
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: -23.397
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: 9
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -279.439164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.439164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.439164 (E_RNA)
where:
Base-Base interactions energy: -198.957
where: short stacking energy: -80.252
Base-Backbone interact. energy: -0.147
local terms energy: -80.335803
where:
bonds (distance) C4'-P energy: -16.199
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -14.212
flat angles P-C4'-P energy: -10.336
tors. eta vs tors. theta energy: -21.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -274.173246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.173246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.173246 (E_RNA)
where:
Base-Base interactions energy: -186.343
where: short stacking energy: -69.674
Base-Backbone interact. energy: -0.896
local terms energy: -86.933686
where:
bonds (distance) C4'-P energy: -14.875
bonds (distance) P-C4' energy: -20.041
flat angles C4'-P-C4' energy: -17.496
flat angles P-C4'-P energy: -14.832
tors. eta vs tors. theta energy: -19.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -260.620147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.620147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.620147 (E_RNA)
where:
Base-Base interactions energy: -174.546
where: short stacking energy: -70.180
Base-Backbone interact. energy: -1.241
local terms energy: -84.833105
where:
bonds (distance) C4'-P energy: -14.217
bonds (distance) P-C4' energy: -20.051
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -9.217
tors. eta vs tors. theta energy: -25.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -245.126971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.126971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.126971 (E_RNA)
where:
Base-Base interactions energy: -159.843
where: short stacking energy: -67.854
Base-Backbone interact. energy: -0.317
local terms energy: -84.966865
where:
bonds (distance) C4'-P energy: -14.805
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -18.412
flat angles P-C4'-P energy: -11.879
tors. eta vs tors. theta energy: -24.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -107.409881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.409881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.409881 (E_RNA)
where:
Base-Base interactions energy: -41.255
where: short stacking energy: -41.255
Base-Backbone interact. energy: -0.016
local terms energy: -66.139249
where:
bonds (distance) C4'-P energy: -13.955
bonds (distance) P-C4' energy: -16.060
flat angles C4'-P-C4' energy: -13.150
flat angles P-C4'-P energy: -12.527
tors. eta vs tors. theta energy: -10.447
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: 2
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -103.715629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.715629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.715629 (E_RNA)
where:
Base-Base interactions energy: -43.483
where: short stacking energy: -23.326
Base-Backbone interact. energy: -0.259
local terms energy: -59.974060
where:
bonds (distance) C4'-P energy: -14.091
bonds (distance) P-C4' energy: -19.512
flat angles C4'-P-C4' energy: -14.633
flat angles P-C4'-P energy: -9.540
tors. eta vs tors. theta energy: -2.198
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -85.490485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.490485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.490485 (E_RNA)
where:
Base-Base interactions energy: -30.923
where: short stacking energy: -30.151
Base-Backbone interact. energy: -0.323
local terms energy: -54.243867
where:
bonds (distance) C4'-P energy: -15.558
bonds (distance) P-C4' energy: -14.163
flat angles C4'-P-C4' energy: -14.198
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -0.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -292.542825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.542825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.542825 (E_RNA)
where:
Base-Base interactions energy: -192.373
where: short stacking energy: -81.025
Base-Backbone interact. energy: -0.216
local terms energy: -99.953978
where:
bonds (distance) C4'-P energy: -18.128
bonds (distance) P-C4' energy: -20.386
flat angles C4'-P-C4' energy: -17.486
flat angles P-C4'-P energy: -16.713
tors. eta vs tors. theta energy: -27.240
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: 1
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -283.698952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.698952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.698952 (E_RNA)
where:
Base-Base interactions energy: -190.328
where: short stacking energy: -88.173
Base-Backbone interact. energy: -0.011
local terms energy: -93.359492
where:
bonds (distance) C4'-P energy: -15.569
bonds (distance) P-C4' energy: -20.125
flat angles C4'-P-C4' energy: -17.809
flat angles P-C4'-P energy: -13.690
tors. eta vs tors. theta energy: -26.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -279.959481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.959481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.959481 (E_RNA)
where:
Base-Base interactions energy: -190.511
where: short stacking energy: -82.429
Base-Backbone interact. energy: -1.143
local terms energy: -88.305314
where:
bonds (distance) C4'-P energy: -17.274
bonds (distance) P-C4' energy: -17.636
flat angles C4'-P-C4' energy: -17.845
flat angles P-C4'-P energy: -12.264
tors. eta vs tors. theta energy: -23.286
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: 5
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -273.514028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.514028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.514028 (E_RNA)
where:
Base-Base interactions energy: -175.677
where: short stacking energy: -71.011
Base-Backbone interact. energy: -0.593
local terms energy: -97.244199
where:
bonds (distance) C4'-P energy: -20.936
bonds (distance) P-C4' energy: -20.795
flat angles C4'-P-C4' energy: -15.933
flat angles P-C4'-P energy: -13.229
tors. eta vs tors. theta energy: -26.351
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: 5, replica: 4
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -281.944028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.944028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.944028 (E_RNA)
where:
Base-Base interactions energy: -189.424
where: short stacking energy: -72.130
Base-Backbone interact. energy: -0.214
local terms energy: -92.306162
where:
bonds (distance) C4'-P energy: -17.954
bonds (distance) P-C4' energy: -17.836
flat angles C4'-P-C4' energy: -21.572
flat angles P-C4'-P energy: -13.629
tors. eta vs tors. theta energy: -21.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -256.735122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.735122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.735122 (E_RNA)
where:
Base-Base interactions energy: -176.037
where: short stacking energy: -69.170
Base-Backbone interact. energy: -0.489
local terms energy: -80.209454
where:
bonds (distance) C4'-P energy: -14.037
bonds (distance) P-C4' energy: -15.947
flat angles C4'-P-C4' energy: -17.388
flat angles P-C4'-P energy: -11.611
tors. eta vs tors. theta energy: -21.225
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: 8
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -260.929447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.929447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.929447 (E_RNA)
where:
Base-Base interactions energy: -170.996
where: short stacking energy: -68.780
Base-Backbone interact. energy: -0.018
local terms energy: -89.915023
where:
bonds (distance) C4'-P energy: -16.342
bonds (distance) P-C4' energy: -18.403
flat angles C4'-P-C4' energy: -16.974
flat angles P-C4'-P energy: -12.096
tors. eta vs tors. theta energy: -26.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -99.200334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.200334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.200334 (E_RNA)
where:
Base-Base interactions energy: -39.607
where: short stacking energy: -28.324
Base-Backbone interact. energy: -0.419
local terms energy: -59.174309
where:
bonds (distance) C4'-P energy: -16.756
bonds (distance) P-C4' energy: -14.941
flat angles C4'-P-C4' energy: -18.870
flat angles P-C4'-P energy: -9.765
tors. eta vs tors. theta energy: 1.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -93.394912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.394912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.394912 (E_RNA)
where:
Base-Base interactions energy: -28.837
where: short stacking energy: -28.079
Base-Backbone interact. energy: -0.284
local terms energy: -64.273541
where:
bonds (distance) C4'-P energy: -12.998
bonds (distance) P-C4' energy: -18.874
flat angles C4'-P-C4' energy: -17.404
flat angles P-C4'-P energy: -7.917
tors. eta vs tors. theta energy: -7.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -100.735907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.735907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.735907 (E_RNA)
where:
Base-Base interactions energy: -42.552
where: short stacking energy: -32.373
Base-Backbone interact. energy: -0.465
local terms energy: -57.718815
where:
bonds (distance) C4'-P energy: -10.775
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -10.942
tors. eta vs tors. theta energy: -2.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -292.949014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.949014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.949014 (E_RNA)
where:
Base-Base interactions energy: -198.467
where: short stacking energy: -81.457
Base-Backbone interact. energy: -0.540
local terms energy: -93.942072
where:
bonds (distance) C4'-P energy: -14.732
bonds (distance) P-C4' energy: -20.162
flat angles C4'-P-C4' energy: -18.597
flat angles P-C4'-P energy: -14.879
tors. eta vs tors. theta energy: -25.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -284.147725 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.147725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.147725 (E_RNA)
where:
Base-Base interactions energy: -197.706
where: short stacking energy: -80.631
Base-Backbone interact. energy: -0.172
local terms energy: -86.270249
where:
bonds (distance) C4'-P energy: -11.923
bonds (distance) P-C4' energy: -19.146
flat angles C4'-P-C4' energy: -17.230
flat angles P-C4'-P energy: -17.073
tors. eta vs tors. theta energy: -20.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -282.996390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.996390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.996390 (E_RNA)
where:
Base-Base interactions energy: -194.957
where: short stacking energy: -84.713
Base-Backbone interact. energy: 1.535
local terms energy: -89.575211
where:
bonds (distance) C4'-P energy: -12.626
bonds (distance) P-C4' energy: -16.942
flat angles C4'-P-C4' energy: -21.729
flat angles P-C4'-P energy: -14.317
tors. eta vs tors. theta energy: -23.961
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: 5
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -281.300918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.300918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.300918 (E_RNA)
where:
Base-Base interactions energy: -190.496
where: short stacking energy: -83.808
Base-Backbone interact. energy: -0.583
local terms energy: -90.222541
where:
bonds (distance) C4'-P energy: -16.456
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -18.046
flat angles P-C4'-P energy: -11.314
tors. eta vs tors. theta energy: -26.697
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: 4
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -253.631426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.631426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.631426 (E_RNA)
where:
Base-Base interactions energy: -170.800
where: short stacking energy: -71.284
Base-Backbone interact. energy: -0.307
local terms energy: -82.524052
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -18.537
flat angles C4'-P-C4' energy: -15.960
flat angles P-C4'-P energy: -12.137
tors. eta vs tors. theta energy: -22.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -271.940009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.940009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.940009 (E_RNA)
where:
Base-Base interactions energy: -186.680
where: short stacking energy: -69.732
Base-Backbone interact. energy: -0.763
local terms energy: -84.496666
where:
bonds (distance) C4'-P energy: -15.698
bonds (distance) P-C4' energy: -13.154
flat angles C4'-P-C4' energy: -18.360
flat angles P-C4'-P energy: -14.364
tors. eta vs tors. theta energy: -22.920
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: 6
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -256.469910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.469910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.469910 (E_RNA)
where:
Base-Base interactions energy: -180.016
where: short stacking energy: -72.588
Base-Backbone interact. energy: -1.264
local terms energy: -75.189896
where:
bonds (distance) C4'-P energy: -17.417
bonds (distance) P-C4' energy: -11.671
flat angles C4'-P-C4' energy: -14.589
flat angles P-C4'-P energy: -13.376
tors. eta vs tors. theta energy: -18.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -101.468148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.468148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.468148 (E_RNA)
where:
Base-Base interactions energy: -51.767
where: short stacking energy: -27.091
Base-Backbone interact. energy: 0.126
local terms energy: -49.826604
where:
bonds (distance) C4'-P energy: -15.635
bonds (distance) P-C4' energy: -19.232
flat angles C4'-P-C4' energy: -8.513
flat angles P-C4'-P energy: -7.899
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: 9, replica: 7
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -88.230323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.230323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.230323 (E_RNA)
where:
Base-Base interactions energy: -30.578
where: short stacking energy: -21.657
Base-Backbone interact. energy: 0.565
local terms energy: -58.217513
where:
bonds (distance) C4'-P energy: -14.713
bonds (distance) P-C4' energy: -18.489
flat angles C4'-P-C4' energy: -20.537
flat angles P-C4'-P energy: -5.801
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: 489
Temperature: 1.350000
Total energy: -85.566562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.566562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.566562 (E_RNA)
where:
Base-Base interactions energy: -47.889
where: short stacking energy: -17.157
Base-Backbone interact. energy: -0.551
local terms energy: -37.126791
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -13.375
flat angles C4'-P-C4' energy: -9.092
flat angles P-C4'-P energy: -6.930
tors. eta vs tors. theta energy: 9.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -297.260316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.260316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.260316 (E_RNA)
where:
Base-Base interactions energy: -200.719
where: short stacking energy: -85.420
Base-Backbone interact. energy: -0.950
local terms energy: -95.591323
where:
bonds (distance) C4'-P energy: -19.740
bonds (distance) P-C4' energy: -18.664
flat angles C4'-P-C4' energy: -16.895
flat angles P-C4'-P energy: -13.254
tors. eta vs tors. theta energy: -27.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -282.233514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.233514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.233514 (E_RNA)
where:
Base-Base interactions energy: -188.204
where: short stacking energy: -85.973
Base-Backbone interact. energy: 1.038
local terms energy: -95.067862
where:
bonds (distance) C4'-P energy: -18.286
bonds (distance) P-C4' energy: -18.528
flat angles C4'-P-C4' energy: -21.557
flat angles P-C4'-P energy: -10.616
tors. eta vs tors. theta energy: -26.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -294.908419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.908419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.908419 (E_RNA)
where:
Base-Base interactions energy: -199.144
where: short stacking energy: -87.069
Base-Backbone interact. energy: -0.024
local terms energy: -95.740743
where:
bonds (distance) C4'-P energy: -17.623
bonds (distance) P-C4' energy: -19.277
flat angles C4'-P-C4' energy: -19.568
flat angles P-C4'-P energy: -14.430
tors. eta vs tors. theta energy: -24.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -275.647172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.647172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.647172 (E_RNA)
where:
Base-Base interactions energy: -176.226
where: short stacking energy: -82.621
Base-Backbone interact. energy: -1.452
local terms energy: -97.968408
where:
bonds (distance) C4'-P energy: -18.430
bonds (distance) P-C4' energy: -19.379
flat angles C4'-P-C4' energy: -21.169
flat angles P-C4'-P energy: -14.503
tors. eta vs tors. theta energy: -24.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -266.948328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.948328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.948328 (E_RNA)
where:
Base-Base interactions energy: -177.647
where: short stacking energy: -66.207
Base-Backbone interact. energy: -0.613
local terms energy: -88.688203
where:
bonds (distance) C4'-P energy: -15.991
bonds (distance) P-C4' energy: -14.717
flat angles C4'-P-C4' energy: -20.172
flat angles P-C4'-P energy: -12.437
tors. eta vs tors. theta energy: -25.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -260.513030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.513030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.513030 (E_RNA)
where:
Base-Base interactions energy: -180.608
where: short stacking energy: -72.883
Base-Backbone interact. energy: -0.682
local terms energy: -79.222802
where:
bonds (distance) C4'-P energy: -15.474
bonds (distance) P-C4' energy: -19.185
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -6.900
tors. eta vs tors. theta energy: -22.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -257.440022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.440022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.440022 (E_RNA)
where:
Base-Base interactions energy: -174.467
where: short stacking energy: -66.052
Base-Backbone interact. energy: -0.245
local terms energy: -82.728461
where:
bonds (distance) C4'-P energy: -17.611
bonds (distance) P-C4' energy: -12.125
flat angles C4'-P-C4' energy: -16.679
flat angles P-C4'-P energy: -14.038
tors. eta vs tors. theta energy: -22.276
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: 10
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -107.469486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.469486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.469486 (E_RNA)
where:
Base-Base interactions energy: -45.159
where: short stacking energy: -34.574
Base-Backbone interact. energy: -0.137
local terms energy: -62.173128
where:
bonds (distance) C4'-P energy: -18.353
bonds (distance) P-C4' energy: -18.458
flat angles C4'-P-C4' energy: -17.591
flat angles P-C4'-P energy: -5.333
tors. eta vs tors. theta energy: -2.437
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -81.164771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.164771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.164771 (E_RNA)
where:
Base-Base interactions energy: -19.285
where: short stacking energy: -13.725
Base-Backbone interact. energy: 0.132
local terms energy: -62.011627
where:
bonds (distance) C4'-P energy: -18.079
bonds (distance) P-C4' energy: -20.908
flat angles C4'-P-C4' energy: -13.599
flat angles P-C4'-P energy: -12.276
tors. eta vs tors. theta energy: 2.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -79.982140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.982140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.982140 (E_RNA)
where:
Base-Base interactions energy: -24.626
where: short stacking energy: -19.452
Base-Backbone interact. energy: -0.370
local terms energy: -54.986043
where:
bonds (distance) C4'-P energy: -15.871
bonds (distance) P-C4' energy: -19.464
flat angles C4'-P-C4' energy: -14.814
flat angles P-C4'-P energy: -4.284
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: 3
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -297.944204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.944204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.944204 (E_RNA)
where:
Base-Base interactions energy: -203.261
where: short stacking energy: -82.101
Base-Backbone interact. energy: -0.427
local terms energy: -94.255666
where:
bonds (distance) C4'-P energy: -19.827
bonds (distance) P-C4' energy: -16.194
flat angles C4'-P-C4' energy: -19.771
flat angles P-C4'-P energy: -15.526
tors. eta vs tors. theta energy: -22.938
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: 9
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -281.167663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.167663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.167663 (E_RNA)
where:
Base-Base interactions energy: -186.133
where: short stacking energy: -78.643
Base-Backbone interact. energy: -0.016
local terms energy: -95.018467
where:
bonds (distance) C4'-P energy: -14.237
bonds (distance) P-C4' energy: -19.886
flat angles C4'-P-C4' energy: -20.226
flat angles P-C4'-P energy: -16.282
tors. eta vs tors. theta energy: -24.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -284.568226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.568226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.568226 (E_RNA)
where:
Base-Base interactions energy: -195.171
where: short stacking energy: -84.491
Base-Backbone interact. energy: -0.003
local terms energy: -89.394974
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -19.137
flat angles C4'-P-C4' energy: -18.221
flat angles P-C4'-P energy: -13.252
tors. eta vs tors. theta energy: -24.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -278.043059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.043059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.043059 (E_RNA)
where:
Base-Base interactions energy: -182.428
where: short stacking energy: -72.295
Base-Backbone interact. energy: -0.018
local terms energy: -95.597003
where:
bonds (distance) C4'-P energy: -20.096
bonds (distance) P-C4' energy: -17.001
flat angles C4'-P-C4' energy: -20.425
flat angles P-C4'-P energy: -13.388
tors. eta vs tors. theta energy: -24.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -266.021280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.021280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.021280 (E_RNA)
where:
Base-Base interactions energy: -176.061
where: short stacking energy: -74.369
Base-Backbone interact. energy: -1.221
local terms energy: -88.739798
where:
bonds (distance) C4'-P energy: -17.843
bonds (distance) P-C4' energy: -14.922
flat angles C4'-P-C4' energy: -20.503
flat angles P-C4'-P energy: -14.134
tors. eta vs tors. theta energy: -21.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -263.357068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.357068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.357068 (E_RNA)
where:
Base-Base interactions energy: -183.185
where: short stacking energy: -77.329
Base-Backbone interact. energy: -0.094
local terms energy: -80.078266
where:
bonds (distance) C4'-P energy: -11.803
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -15.010
flat angles P-C4'-P energy: -13.528
tors. eta vs tors. theta energy: -21.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -262.696589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.696589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.696589 (E_RNA)
where:
Base-Base interactions energy: -169.041
where: short stacking energy: -69.774
Base-Backbone interact. energy: -0.108
local terms energy: -93.548190
where:
bonds (distance) C4'-P energy: -17.714
bonds (distance) P-C4' energy: -20.992
flat angles C4'-P-C4' energy: -16.856
flat angles P-C4'-P energy: -13.973
tors. eta vs tors. theta energy: -24.013
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: 491
Temperature: 1.250000
Total energy: -104.790970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.790970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.790970 (E_RNA)
where:
Base-Base interactions energy: -61.462
where: short stacking energy: -37.430
Base-Backbone interact. energy: -0.563
local terms energy: -42.766201
where:
bonds (distance) C4'-P energy: -16.605
bonds (distance) P-C4' energy: -12.469
flat angles C4'-P-C4' energy: -15.877
flat angles P-C4'-P energy: -3.023
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: 9, replica: 10
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -94.452547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.452547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.452547 (E_RNA)
where:
Base-Base interactions energy: -35.733
where: short stacking energy: -27.100
Base-Backbone interact. energy: -0.112
local terms energy: -58.607402
where:
bonds (distance) C4'-P energy: -14.254
bonds (distance) P-C4' energy: -18.689
flat angles C4'-P-C4' energy: -15.850
flat angles P-C4'-P energy: -11.576
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: 7
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -91.306334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.306334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.306334 (E_RNA)
where:
Base-Base interactions energy: -27.110
where: short stacking energy: -24.160
Base-Backbone interact. energy: -0.054
local terms energy: -64.142371
where:
bonds (distance) C4'-P energy: -17.019
bonds (distance) P-C4' energy: -20.014
flat angles C4'-P-C4' energy: -16.230
flat angles P-C4'-P energy: -12.095
tors. eta vs tors. theta energy: 1.215
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: 9
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -293.636881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.636881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.636881 (E_RNA)
where:
Base-Base interactions energy: -195.533
where: short stacking energy: -84.737
Base-Backbone interact. energy: -0.126
local terms energy: -97.977602
where:
bonds (distance) C4'-P energy: -15.205
bonds (distance) P-C4' energy: -21.659
flat angles C4'-P-C4' energy: -21.486
flat angles P-C4'-P energy: -13.836
tors. eta vs tors. theta energy: -25.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -283.990730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.990730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.990730 (E_RNA)
where:
Base-Base interactions energy: -190.538
where: short stacking energy: -85.827
Base-Backbone interact. energy: -1.247
local terms energy: -92.205554
where:
bonds (distance) C4'-P energy: -17.557
bonds (distance) P-C4' energy: -16.828
flat angles C4'-P-C4' energy: -20.850
flat angles P-C4'-P energy: -10.083
tors. eta vs tors. theta energy: -26.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -284.049487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.049487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.049487 (E_RNA)
where:
Base-Base interactions energy: -191.304
where: short stacking energy: -73.952
Base-Backbone interact. energy: -0.057
local terms energy: -92.689201
where:
bonds (distance) C4'-P energy: -19.002
bonds (distance) P-C4' energy: -18.962
flat angles C4'-P-C4' energy: -18.870
flat angles P-C4'-P energy: -14.093
tors. eta vs tors. theta energy: -21.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -272.243761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.243761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.243761 (E_RNA)
where:
Base-Base interactions energy: -182.641
where: short stacking energy: -67.548
Base-Backbone interact. energy: -0.351
local terms energy: -89.251627
where:
bonds (distance) C4'-P energy: -13.521
bonds (distance) P-C4' energy: -19.538
flat angles C4'-P-C4' energy: -18.977
flat angles P-C4'-P energy: -11.398
tors. eta vs tors. theta energy: -25.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -278.142947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.142947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.142947 (E_RNA)
where:
Base-Base interactions energy: -178.852
where: short stacking energy: -71.605
Base-Backbone interact. energy: -2.472
local terms energy: -96.818814
where:
bonds (distance) C4'-P energy: -19.511
bonds (distance) P-C4' energy: -21.747
flat angles C4'-P-C4' energy: -18.569
flat angles P-C4'-P energy: -12.967
tors. eta vs tors. theta energy: -24.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -277.049374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.049374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.049374 (E_RNA)
where:
Base-Base interactions energy: -191.237
where: short stacking energy: -78.839
Base-Backbone interact. energy: -0.200
local terms energy: -85.612993
where:
bonds (distance) C4'-P energy: -17.527
bonds (distance) P-C4' energy: -19.774
flat angles C4'-P-C4' energy: -17.328
flat angles P-C4'-P energy: -3.475
tors. eta vs tors. theta energy: -27.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -253.430874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.430874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.430874 (E_RNA)
where:
Base-Base interactions energy: -174.857
where: short stacking energy: -66.954
Base-Backbone interact. energy: -0.447
local terms energy: -78.126570
where:
bonds (distance) C4'-P energy: -12.175
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -14.968
flat angles P-C4'-P energy: -10.924
tors. eta vs tors. theta energy: -22.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -108.453833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.453833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.453833 (E_RNA)
where:
Base-Base interactions energy: -40.057
where: short stacking energy: -24.797
Base-Backbone interact. energy: -0.904
local terms energy: -67.492874
where:
bonds (distance) C4'-P energy: -18.610
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -14.774
flat angles P-C4'-P energy: -13.872
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: 7
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -108.234794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.234794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.234794 (E_RNA)
where:
Base-Base interactions energy: -40.949
where: short stacking energy: -35.871
Base-Backbone interact. energy: -1.197
local terms energy: -66.088786
where:
bonds (distance) C4'-P energy: -16.021
bonds (distance) P-C4' energy: -18.073
flat angles C4'-P-C4' energy: -11.673
flat angles P-C4'-P energy: -14.882
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: 10, replica: 10
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -83.574599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.574599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.574599 (E_RNA)
where:
Base-Base interactions energy: -30.160
where: short stacking energy: -12.691
Base-Backbone interact. energy: 0.617
local terms energy: -54.031256
where:
bonds (distance) C4'-P energy: -19.375
bonds (distance) P-C4' energy: -20.129
flat angles C4'-P-C4' energy: -15.310
flat angles P-C4'-P energy: -5.143
tors. eta vs tors. theta energy: 5.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 9
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -290.385273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.385273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.385273 (E_RNA)
where:
Base-Base interactions energy: -194.971
where: short stacking energy: -74.835
Base-Backbone interact. energy: -1.393
local terms energy: -94.021183
where:
bonds (distance) C4'-P energy: -18.690
bonds (distance) P-C4' energy: -21.432
flat angles C4'-P-C4' energy: -18.013
flat angles P-C4'-P energy: -12.063
tors. eta vs tors. theta energy: -23.823
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: 5
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -284.893369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.893369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.893369 (E_RNA)
where:
Base-Base interactions energy: -195.272
where: short stacking energy: -74.539
Base-Backbone interact. energy: -1.366
local terms energy: -88.255354
where:
bonds (distance) C4'-P energy: -15.305
bonds (distance) P-C4' energy: -21.587
flat angles C4'-P-C4' energy: -16.737
flat angles P-C4'-P energy: -13.551
tors. eta vs tors. theta energy: -21.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -288.650105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.650105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.650105 (E_RNA)
where:
Base-Base interactions energy: -198.516
where: short stacking energy: -85.598
Base-Backbone interact. energy: -0.005
local terms energy: -90.128967
where:
bonds (distance) C4'-P energy: -17.363
bonds (distance) P-C4' energy: -19.284
flat angles C4'-P-C4' energy: -18.309
flat angles P-C4'-P energy: -9.630
tors. eta vs tors. theta energy: -25.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -273.486074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.486074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.486074 (E_RNA)
where:
Base-Base interactions energy: -184.692
where: short stacking energy: -79.296
Base-Backbone interact. energy: -0.138
local terms energy: -88.656191
where:
bonds (distance) C4'-P energy: -17.838
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -19.506
flat angles P-C4'-P energy: -6.965
tors. eta vs tors. theta energy: -28.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -286.250659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.250659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.250659 (E_RNA)
where:
Base-Base interactions energy: -197.978
where: short stacking energy: -83.393
Base-Backbone interact. energy: -0.016
local terms energy: -88.256810
where:
bonds (distance) C4'-P energy: -14.958
bonds (distance) P-C4' energy: -20.175
flat angles C4'-P-C4' energy: -17.365
flat angles P-C4'-P energy: -11.343
tors. eta vs tors. theta energy: -24.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -274.350663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.350663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.350663 (E_RNA)
where:
Base-Base interactions energy: -176.637
where: short stacking energy: -73.251
Base-Backbone interact. energy: -0.105
local terms energy: -97.608603
where:
bonds (distance) C4'-P energy: -20.567
bonds (distance) P-C4' energy: -19.277
flat angles C4'-P-C4' energy: -18.625
flat angles P-C4'-P energy: -17.329
tors. eta vs tors. theta energy: -21.810
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: 8
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -249.428937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.428937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.428937 (E_RNA)
where:
Base-Base interactions energy: -168.948
where: short stacking energy: -67.298
Base-Backbone interact. energy: -0.741
local terms energy: -79.739834
where:
bonds (distance) C4'-P energy: -13.910
bonds (distance) P-C4' energy: -17.496
flat angles C4'-P-C4' energy: -17.112
flat angles P-C4'-P energy: -9.708
tors. eta vs tors. theta energy: -21.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -90.555733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.555733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.555733 (E_RNA)
where:
Base-Base interactions energy: -34.802
where: short stacking energy: -22.835
Base-Backbone interact. energy: 0.055
local terms energy: -55.808971
where:
bonds (distance) C4'-P energy: -16.660
bonds (distance) P-C4' energy: -16.533
flat angles C4'-P-C4' energy: -14.831
flat angles P-C4'-P energy: -10.027
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: 2
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -97.039226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.039226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.039226 (E_RNA)
where:
Base-Base interactions energy: -28.782
where: short stacking energy: -25.140
Base-Backbone interact. energy: 0.136
local terms energy: -68.393117
where:
bonds (distance) C4'-P energy: -16.746
bonds (distance) P-C4' energy: -20.805
flat angles C4'-P-C4' energy: -18.576
flat angles P-C4'-P energy: -8.500
tors. eta vs tors. theta energy: -3.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -86.602652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.602652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.602652 (E_RNA)
where:
Base-Base interactions energy: -38.850
where: short stacking energy: -38.544
Base-Backbone interact. energy: -0.321
local terms energy: -47.431930
where:
bonds (distance) C4'-P energy: -7.816
bonds (distance) P-C4' energy: -13.349
flat angles C4'-P-C4' energy: -11.902
flat angles P-C4'-P energy: -3.098
tors. eta vs tors. theta energy: -11.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -289.570630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.570630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.570630 (E_RNA)
where:
Base-Base interactions energy: -195.274
where: short stacking energy: -78.398
Base-Backbone interact. energy: -1.355
local terms energy: -92.941277
where:
bonds (distance) C4'-P energy: -17.380
bonds (distance) P-C4' energy: -17.800
flat angles C4'-P-C4' energy: -17.489
flat angles P-C4'-P energy: -17.250
tors. eta vs tors. theta energy: -23.022
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: 9
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -282.468267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.468267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.468267 (E_RNA)
where:
Base-Base interactions energy: -191.094
where: short stacking energy: -79.380
Base-Backbone interact. energy: -0.059
local terms energy: -91.315057
where:
bonds (distance) C4'-P energy: -17.914
bonds (distance) P-C4' energy: -15.098
flat angles C4'-P-C4' energy: -21.218
flat angles P-C4'-P energy: -13.598
tors. eta vs tors. theta energy: -23.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -283.185771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.185771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.185771 (E_RNA)
where:
Base-Base interactions energy: -185.656
where: short stacking energy: -79.449
Base-Backbone interact. energy: -0.409
local terms energy: -97.119946
where:
bonds (distance) C4'-P energy: -17.263
bonds (distance) P-C4' energy: -17.322
flat angles C4'-P-C4' energy: -20.752
flat angles P-C4'-P energy: -15.640
tors. eta vs tors. theta energy: -26.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -272.882490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.882490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.882490 (E_RNA)
where:
Base-Base interactions energy: -189.084
where: short stacking energy: -70.238
Base-Backbone interact. energy: 0.284
local terms energy: -84.083383
where:
bonds (distance) C4'-P energy: -16.215
bonds (distance) P-C4' energy: -21.730
flat angles C4'-P-C4' energy: -15.749
flat angles P-C4'-P energy: -10.722
tors. eta vs tors. theta energy: -19.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -279.355345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.355345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.355345 (E_RNA)
where:
Base-Base interactions energy: -202.604
where: short stacking energy: -82.485
Base-Backbone interact. energy: -0.387
local terms energy: -76.364607
where:
bonds (distance) C4'-P energy: -17.100
bonds (distance) P-C4' energy: -8.362
flat angles C4'-P-C4' energy: -17.482
flat angles P-C4'-P energy: -9.413
tors. eta vs tors. theta energy: -24.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -264.174141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.174141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.174141 (E_RNA)
where:
Base-Base interactions energy: -186.418
where: short stacking energy: -75.046
Base-Backbone interact. energy: -0.035
local terms energy: -77.720833
where:
bonds (distance) C4'-P energy: -10.954
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -15.660
flat angles P-C4'-P energy: -8.069
tors. eta vs tors. theta energy: -25.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -278.302801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.302801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.302801 (E_RNA)
where:
Base-Base interactions energy: -186.461
where: short stacking energy: -80.251
Base-Backbone interact. energy: 0.074
local terms energy: -91.916085
where:
bonds (distance) C4'-P energy: -19.047
bonds (distance) P-C4' energy: -14.915
flat angles C4'-P-C4' energy: -21.147
flat angles P-C4'-P energy: -14.616
tors. eta vs tors. theta energy: -22.191
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -106.544800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.544800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.544800 (E_RNA)
where:
Base-Base interactions energy: -49.057
where: short stacking energy: -36.243
Base-Backbone interact. energy: 0.514
local terms energy: -58.001815
where:
bonds (distance) C4'-P energy: -17.541
bonds (distance) P-C4' energy: -17.762
flat angles C4'-P-C4' energy: -8.225
flat angles P-C4'-P energy: -8.028
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: 9, replica: 10
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -107.646809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.646809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.646809 (E_RNA)
where:
Base-Base interactions energy: -46.845
where: short stacking energy: -34.565
Base-Backbone interact. energy: -0.174
local terms energy: -60.627768
where:
bonds (distance) C4'-P energy: -20.471
bonds (distance) P-C4' energy: -18.414
flat angles C4'-P-C4' energy: -9.245
flat angles P-C4'-P energy: -7.041
tors. eta vs tors. theta energy: -5.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -96.883697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.883697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.883697 (E_RNA)
where:
Base-Base interactions energy: -44.187
where: short stacking energy: -38.608
Base-Backbone interact. energy: -0.293
local terms energy: -52.404337
where:
bonds (distance) C4'-P energy: -10.423
bonds (distance) P-C4' energy: -19.172
flat angles C4'-P-C4' energy: -13.027
flat angles P-C4'-P energy: -8.251
tors. eta vs tors. theta energy: -1.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -287.474239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.474239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.474239 (E_RNA)
where:
Base-Base interactions energy: -198.489
where: short stacking energy: -73.663
Base-Backbone interact. energy: -0.204
local terms energy: -88.781801
where:
bonds (distance) C4'-P energy: -13.112
bonds (distance) P-C4' energy: -18.130
flat angles C4'-P-C4' energy: -21.348
flat angles P-C4'-P energy: -15.663
tors. eta vs tors. theta energy: -20.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -283.333695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.333695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.333695 (E_RNA)
where:
Base-Base interactions energy: -178.706
where: short stacking energy: -83.404
Base-Backbone interact. energy: 0.448
local terms energy: -105.076210
where:
bonds (distance) C4'-P energy: -19.810
bonds (distance) P-C4' energy: -20.243
flat angles C4'-P-C4' energy: -21.303
flat angles P-C4'-P energy: -15.552
tors. eta vs tors. theta energy: -28.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -282.745728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.745728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.745728 (E_RNA)
where:
Base-Base interactions energy: -188.018
where: short stacking energy: -77.480
Base-Backbone interact. energy: -0.000
local terms energy: -94.727723
where:
bonds (distance) C4'-P energy: -18.721
bonds (distance) P-C4' energy: -18.142
flat angles C4'-P-C4' energy: -18.065
flat angles P-C4'-P energy: -12.814
tors. eta vs tors. theta energy: -26.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -274.131553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.131553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.131553 (E_RNA)
where:
Base-Base interactions energy: -182.077
where: short stacking energy: -79.753
Base-Backbone interact. energy: -0.323
local terms energy: -91.731263
where:
bonds (distance) C4'-P energy: -15.346
bonds (distance) P-C4' energy: -16.411
flat angles C4'-P-C4' energy: -20.072
flat angles P-C4'-P energy: -12.001
tors. eta vs tors. theta energy: -27.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -270.273464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.273464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.273464 (E_RNA)
where:
Base-Base interactions energy: -182.237
where: short stacking energy: -73.424
Base-Backbone interact. energy: -0.118
local terms energy: -87.919120
where:
bonds (distance) C4'-P energy: -15.086
bonds (distance) P-C4' energy: -16.975
flat angles C4'-P-C4' energy: -20.262
flat angles P-C4'-P energy: -13.657
tors. eta vs tors. theta energy: -21.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -259.520449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.520449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.520449 (E_RNA)
where:
Base-Base interactions energy: -173.478
where: short stacking energy: -71.965
Base-Backbone interact. energy: -0.151
local terms energy: -85.891134
where:
bonds (distance) C4'-P energy: -14.987
bonds (distance) P-C4' energy: -20.597
flat angles C4'-P-C4' energy: -16.875
flat angles P-C4'-P energy: -12.283
tors. eta vs tors. theta energy: -21.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -258.731462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.731462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.731462 (E_RNA)
where:
Base-Base interactions energy: -175.411
where: short stacking energy: -70.118
Base-Backbone interact. energy: -0.248
local terms energy: -83.072473
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -13.480
flat angles C4'-P-C4' energy: -20.360
flat angles P-C4'-P energy: -10.872
tors. eta vs tors. theta energy: -24.089
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: 10
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -101.933506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.933506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.933506 (E_RNA)
where:
Base-Base interactions energy: -38.613
where: short stacking energy: -38.318
Base-Backbone interact. energy: -0.177
local terms energy: -63.143348
where:
bonds (distance) C4'-P energy: -12.468
bonds (distance) P-C4' energy: -19.738
flat angles C4'-P-C4' energy: -15.263
flat angles P-C4'-P energy: -9.363
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: 9, replica: 7
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -90.063252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.063252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.063252 (E_RNA)
where:
Base-Base interactions energy: -33.470
where: short stacking energy: -28.806
Base-Backbone interact. energy: 1.543
local terms energy: -58.136236
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -16.654
flat angles C4'-P-C4' energy: -19.840
flat angles P-C4'-P energy: -5.002
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: 10, replica: 2
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -92.679015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.679015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.679015 (E_RNA)
where:
Base-Base interactions energy: -30.544
where: short stacking energy: -27.389
Base-Backbone interact. energy: -0.095
local terms energy: -62.040225
where:
bonds (distance) C4'-P energy: -13.561
bonds (distance) P-C4' energy: -16.854
flat angles C4'-P-C4' energy: -18.259
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: -1.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 496
Temperature: 0.900000
Total energy: -288.276914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.276914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.276914 (E_RNA)
where:
Base-Base interactions energy: -197.565
where: short stacking energy: -83.059
Base-Backbone interact. energy: -0.006
local terms energy: -90.706463
where:
bonds (distance) C4'-P energy: -17.449
bonds (distance) P-C4' energy: -16.309
flat angles C4'-P-C4' energy: -19.095
flat angles P-C4'-P energy: -13.276
tors. eta vs tors. theta energy: -24.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 496
Temperature: 0.950000
Total energy: -293.490032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.490032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.490032 (E_RNA)
where:
Base-Base interactions energy: -204.984
where: short stacking energy: -80.336
Base-Backbone interact. energy: -0.713
local terms energy: -87.793191
where:
bonds (distance) C4'-P energy: -19.462
bonds (distance) P-C4' energy: -17.043
flat angles C4'-P-C4' energy: -18.770
flat angles P-C4'-P energy: -11.210
tors. eta vs tors. theta energy: -21.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 496
Temperature: 1.000000
Total energy: -282.891369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.891369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.891369 (E_RNA)
where:
Base-Base interactions energy: -191.605
where: short stacking energy: -81.630
Base-Backbone interact. energy: -0.563
local terms energy: -90.723270
where:
bonds (distance) C4'-P energy: -14.539
bonds (distance) P-C4' energy: -19.410
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -15.201
tors. eta vs tors. theta energy: -27.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 496
Temperature: 1.050000
Total energy: -279.688567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.688567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.688567 (E_RNA)
where:
Base-Base interactions energy: -189.312
where: short stacking energy: -77.773
Base-Backbone interact. energy: -0.614
local terms energy: -89.762899
where:
bonds (distance) C4'-P energy: -13.687
bonds (distance) P-C4' energy: -14.186
flat angles C4'-P-C4' energy: -20.506
flat angles P-C4'-P energy: -15.365
tors. eta vs tors. theta energy: -26.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 496
Temperature: 1.100000
Total energy: -271.658701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.658701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.658701 (E_RNA)
where:
Base-Base interactions energy: -194.727
where: short stacking energy: -71.447
Base-Backbone interact. energy: -0.814
local terms energy: -76.117640
where:
bonds (distance) C4'-P energy: -8.791
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -16.749
flat angles P-C4'-P energy: -15.863
tors. eta vs tors. theta energy: -19.444
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 496
Temperature: 1.150000
Total energy: -211.088203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.088203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.088203 (E_RNA)
where:
Base-Base interactions energy: -133.464
where: short stacking energy: -52.790
Base-Backbone interact. energy: -0.115
local terms energy: -77.508417
where:
bonds (distance) C4'-P energy: -11.202
bonds (distance) P-C4' energy: -20.647
flat angles C4'-P-C4' energy: -19.011
flat angles P-C4'-P energy: -7.113
tors. eta vs tors. theta energy: -19.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 496
Temperature: 1.200000
Total energy: -268.162761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.162761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.162761 (E_RNA)
where:
Base-Base interactions energy: -189.140
where: short stacking energy: -77.884
Base-Backbone interact. energy: -0.002
local terms energy: -79.020727
where:
bonds (distance) C4'-P energy: -16.093
bonds (distance) P-C4' energy: -15.339
flat angles C4'-P-C4' energy: -17.347
flat angles P-C4'-P energy: -3.997
tors. eta vs tors. theta energy: -26.245
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: 8, replica: 10
=====================================
Write number: 496
Temperature: 1.250000
Total energy: -97.722701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.722701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.722701 (E_RNA)
where:
Base-Base interactions energy: -43.960
where: short stacking energy: -28.144
Base-Backbone interact. energy: 0.889
local terms energy: -54.652259
where:
bonds (distance) C4'-P energy: -19.169
bonds (distance) P-C4' energy: -17.274
flat angles C4'-P-C4' energy: -14.100
flat angles P-C4'-P energy: -5.868
tors. eta vs tors. theta energy: 1.759
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: 2
=====================================
Write number: 496
Temperature: 1.300000
Total energy: -93.769814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.769814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.769814 (E_RNA)
where:
Base-Base interactions energy: -28.228
where: short stacking energy: -21.808
Base-Backbone interact. energy: -0.415
local terms energy: -65.127087
where:
bonds (distance) C4'-P energy: -15.549
bonds (distance) P-C4' energy: -15.697
flat angles C4'-P-C4' energy: -17.640
flat angles P-C4'-P energy: -15.154
tors. eta vs tors. theta energy: -1.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 496
Temperature: 1.350000
Total energy: -89.057582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.057582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.057582 (E_RNA)
where:
Base-Base interactions energy: -29.315
where: short stacking energy: -20.067
Base-Backbone interact. energy: 0.560
local terms energy: -60.302674
where:
bonds (distance) C4'-P energy: -19.314
bonds (distance) P-C4' energy: -15.552
flat angles C4'-P-C4' energy: -13.964
flat angles P-C4'-P energy: -10.867
tors. eta vs tors. theta energy: -0.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 497
Temperature: 0.900000
Total energy: -283.687122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.687122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.687122 (E_RNA)
where:
Base-Base interactions energy: -193.250
where: short stacking energy: -77.503
Base-Backbone interact. energy: -0.085
local terms energy: -90.352015
where:
bonds (distance) C4'-P energy: -17.375
bonds (distance) P-C4' energy: -20.464
flat angles C4'-P-C4' energy: -17.819
flat angles P-C4'-P energy: -13.471
tors. eta vs tors. theta energy: -21.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 497
Temperature: 0.950000
Total energy: -287.929775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.929775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.929775 (E_RNA)
where:
Base-Base interactions energy: -187.738
where: short stacking energy: -76.539
Base-Backbone interact. energy: -0.441
local terms energy: -99.750766
where:
bonds (distance) C4'-P energy: -17.871
bonds (distance) P-C4' energy: -21.007
flat angles C4'-P-C4' energy: -21.730
flat angles P-C4'-P energy: -18.309
tors. eta vs tors. theta energy: -20.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 497
Temperature: 1.000000
Total energy: -284.739526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.739526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.739526 (E_RNA)
where:
Base-Base interactions energy: -195.357
where: short stacking energy: -75.675
Base-Backbone interact. energy: -0.844
local terms energy: -88.538819
where:
bonds (distance) C4'-P energy: -15.579
bonds (distance) P-C4' energy: -16.446
flat angles C4'-P-C4' energy: -20.454
flat angles P-C4'-P energy: -13.007
tors. eta vs tors. theta energy: -23.053
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: 497
Temperature: 1.050000
Total energy: -284.186427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.186427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.186427 (E_RNA)
where:
Base-Base interactions energy: -190.715
where: short stacking energy: -82.928
Base-Backbone interact. energy: -0.026
local terms energy: -93.445531
where:
bonds (distance) C4'-P energy: -17.695
bonds (distance) P-C4' energy: -19.256
flat angles C4'-P-C4' energy: -21.359
flat angles P-C4'-P energy: -9.739
tors. eta vs tors. theta energy: -25.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 497
Temperature: 1.100000
Total energy: -273.097084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.097084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.097084 (E_RNA)
where:
Base-Base interactions energy: -179.827
where: short stacking energy: -73.413
Base-Backbone interact. energy: -0.613
local terms energy: -92.656781
where:
bonds (distance) C4'-P energy: -17.679
bonds (distance) P-C4' energy: -18.464
flat angles C4'-P-C4' energy: -20.841
flat angles P-C4'-P energy: -14.315
tors. eta vs tors. theta energy: -21.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 497
Temperature: 1.150000
Total energy: -263.595966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.595966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.595966 (E_RNA)
where:
Base-Base interactions energy: -190.739
where: short stacking energy: -70.166
Base-Backbone interact. energy: -0.140
local terms energy: -72.716908
where:
bonds (distance) C4'-P energy: -12.240
bonds (distance) P-C4' energy: -15.565
flat angles C4'-P-C4' energy: -15.646
flat angles P-C4'-P energy: -10.228
tors. eta vs tors. theta energy: -19.038
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: 7, replica: 1
=====================================
Write number: 497
Temperature: 1.200000
Total energy: -198.233825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.233825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.233825 (E_RNA)
where:
Base-Base interactions energy: -123.086
where: short stacking energy: -57.356
Base-Backbone interact. energy: 2.180
local terms energy: -77.327526
where:
bonds (distance) C4'-P energy: -14.027
bonds (distance) P-C4' energy: -22.430
flat angles C4'-P-C4' energy: -16.676
flat angles P-C4'-P energy: -10.707
tors. eta vs tors. theta energy: -13.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 497
Temperature: 1.250000
Total energy: -106.180527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.180527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.180527 (E_RNA)
where:
Base-Base interactions energy: -50.887
where: short stacking energy: -29.249
Base-Backbone interact. energy: -0.127
local terms energy: -55.166472
where:
bonds (distance) C4'-P energy: -11.256
bonds (distance) P-C4' energy: -11.396
flat angles C4'-P-C4' energy: -21.866
flat angles P-C4'-P energy: -12.031
tors. eta vs tors. theta energy: 1.383
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: 10
=====================================
Write number: 497
Temperature: 1.300000
Total energy: -138.773465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.773465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.773465 (E_RNA)
where:
Base-Base interactions energy: -86.278
where: short stacking energy: -31.999
Base-Backbone interact. energy: -0.151
local terms energy: -52.344994
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -7.938
flat angles P-C4'-P energy: -14.072
tors. eta vs tors. theta energy: 0.779
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 497
Temperature: 1.350000
Total energy: -90.933810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.933810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.933810 (E_RNA)
where:
Base-Base interactions energy: -31.257
where: short stacking energy: -31.657
Base-Backbone interact. energy: 1.515
local terms energy: -61.192573
where:
bonds (distance) C4'-P energy: -13.981
bonds (distance) P-C4' energy: -19.498
flat angles C4'-P-C4' energy: -17.546
flat angles P-C4'-P energy: -6.467
tors. eta vs tors. theta energy: -3.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 498
Temperature: 0.900000
Total energy: -292.518798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.518798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.518798 (E_RNA)
where:
Base-Base interactions energy: -195.529
where: short stacking energy: -79.060
Base-Backbone interact. energy: -0.981
local terms energy: -96.008594
where:
bonds (distance) C4'-P energy: -16.911
bonds (distance) P-C4' energy: -18.627
flat angles C4'-P-C4' energy: -18.344
flat angles P-C4'-P energy: -17.883
tors. eta vs tors. theta energy: -24.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 9
=====================================
Write number: 498
Temperature: 0.950000
Total energy: -283.824991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.824991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.824991 (E_RNA)
where:
Base-Base interactions energy: -191.669
where: short stacking energy: -80.407
Base-Backbone interact. energy: -0.596
local terms energy: -91.560195
where:
bonds (distance) C4'-P energy: -18.622
bonds (distance) P-C4' energy: -18.572
flat angles C4'-P-C4' energy: -17.350
flat angles P-C4'-P energy: -12.931
tors. eta vs tors. theta energy: -24.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 498
Temperature: 1.000000
Total energy: -271.906441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.906441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.906441 (E_RNA)
where:
Base-Base interactions energy: -179.168
where: short stacking energy: -74.622
Base-Backbone interact. energy: -0.045
local terms energy: -92.692619
where:
bonds (distance) C4'-P energy: -19.346
bonds (distance) P-C4' energy: -18.731
flat angles C4'-P-C4' energy: -19.601
flat angles P-C4'-P energy: -13.894
tors. eta vs tors. theta energy: -21.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 498
Temperature: 1.050000
Total energy: -278.531825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.531825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.531825 (E_RNA)
where:
Base-Base interactions energy: -191.054
where: short stacking energy: -77.022
Base-Backbone interact. energy: -0.250
local terms energy: -87.228471
where:
bonds (distance) C4'-P energy: -17.571
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -16.259
flat angles P-C4'-P energy: -14.905
tors. eta vs tors. theta energy: -22.320
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: 8
=====================================
Write number: 498
Temperature: 1.100000
Total energy: -274.427853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.427853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.427853 (E_RNA)
where:
Base-Base interactions energy: -196.502
where: short stacking energy: -72.299
Base-Backbone interact. energy: -0.187
local terms energy: -77.738853
where:
bonds (distance) C4'-P energy: -19.636
bonds (distance) P-C4' energy: -9.113
flat angles C4'-P-C4' energy: -10.905
flat angles P-C4'-P energy: -13.696
tors. eta vs tors. theta energy: -24.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 498
Temperature: 1.150000
Total energy: -272.866098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.866098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.866098 (E_RNA)
where:
Base-Base interactions energy: -186.135
where: short stacking energy: -75.904
Base-Backbone interact. energy: -0.158
local terms energy: -86.572826
where:
bonds (distance) C4'-P energy: -16.444
bonds (distance) P-C4' energy: -17.663
flat angles C4'-P-C4' energy: -19.882
flat angles P-C4'-P energy: -9.167
tors. eta vs tors. theta energy: -23.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 498
Temperature: 1.200000
Total energy: -176.420099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.420099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.420099 (E_RNA)
where:
Base-Base interactions energy: -115.332
where: short stacking energy: -52.778
Base-Backbone interact. energy: -0.129
local terms energy: -60.958892
where:
bonds (distance) C4'-P energy: -15.836
bonds (distance) P-C4' energy: -15.411
flat angles C4'-P-C4' energy: -7.488
flat angles P-C4'-P energy: -7.303
tors. eta vs tors. theta energy: -14.922
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: 2
=====================================
Write number: 498
Temperature: 1.250000
Total energy: -101.434226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.434226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.434226 (E_RNA)
where:
Base-Base interactions energy: -43.293
where: short stacking energy: -26.397
Base-Backbone interact. energy: 0.866
local terms energy: -59.007206
where:
bonds (distance) C4'-P energy: -15.305
bonds (distance) P-C4' energy: -18.070
flat angles C4'-P-C4' energy: -16.700
flat angles P-C4'-P energy: -7.871
tors. eta vs tors. theta energy: -1.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 7
=====================================
Write number: 498
Temperature: 1.300000
Total energy: -86.579847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.579847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.579847 (E_RNA)
where:
Base-Base interactions energy: -24.208
where: short stacking energy: -18.787
Base-Backbone interact. energy: -0.439
local terms energy: -61.932686
where:
bonds (distance) C4'-P energy: -20.750
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -13.910
flat angles P-C4'-P energy: -13.349
tors. eta vs tors. theta energy: 2.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 498
Temperature: 1.350000
Total energy: -91.003055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.003055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.003055 (E_RNA)
where:
Base-Base interactions energy: -29.254
where: short stacking energy: -27.457
Base-Backbone interact. energy: 1.507
local terms energy: -63.255955
where:
bonds (distance) C4'-P energy: -17.689
bonds (distance) P-C4' energy: -19.133
flat angles C4'-P-C4' energy: -16.102
flat angles P-C4'-P energy: -8.530
tors. eta vs tors. theta energy: -1.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 499
Temperature: 0.900000
Total energy: -291.242274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.242274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.242274 (E_RNA)
where:
Base-Base interactions energy: -198.951
where: short stacking energy: -81.236
Base-Backbone interact. energy: -0.134
local terms energy: -92.157462
where:
bonds (distance) C4'-P energy: -14.084
bonds (distance) P-C4' energy: -16.444
flat angles C4'-P-C4' energy: -21.982
flat angles P-C4'-P energy: -15.128
tors. eta vs tors. theta energy: -24.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 499
Temperature: 0.950000
Total energy: -287.862214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.862214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.862214 (E_RNA)
where:
Base-Base interactions energy: -197.140
where: short stacking energy: -75.467
Base-Backbone interact. energy: -0.087
local terms energy: -90.635839
where:
bonds (distance) C4'-P energy: -18.993
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -20.447
flat angles P-C4'-P energy: -16.161
tors. eta vs tors. theta energy: -17.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 9
=====================================
Write number: 499
Temperature: 1.000000
Total energy: -285.913453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.913453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.913453 (E_RNA)
where:
Base-Base interactions energy: -187.127
where: short stacking energy: -87.180
Base-Backbone interact. energy: -0.592
local terms energy: -98.193731
where:
bonds (distance) C4'-P energy: -18.248
bonds (distance) P-C4' energy: -19.319
flat angles C4'-P-C4' energy: -20.374
flat angles P-C4'-P energy: -14.195
tors. eta vs tors. theta energy: -26.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 499
Temperature: 1.050000
Total energy: -264.296855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.296855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.296855 (E_RNA)
where:
Base-Base interactions energy: -182.227
where: short stacking energy: -81.626
Base-Backbone interact. energy: -0.642
local terms energy: -81.427465
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -16.666
flat angles C4'-P-C4' energy: -16.554
flat angles P-C4'-P energy: -12.846
tors. eta vs tors. theta energy: -21.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 499
Temperature: 1.100000
Total energy: -269.502940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.502940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.502940 (E_RNA)
where:
Base-Base interactions energy: -185.909
where: short stacking energy: -74.784
Base-Backbone interact. energy: -0.900
local terms energy: -82.694004
where:
bonds (distance) C4'-P energy: -17.459
bonds (distance) P-C4' energy: -20.160
flat angles C4'-P-C4' energy: -16.800
flat angles P-C4'-P energy: -9.947
tors. eta vs tors. theta energy: -18.328
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: 6, replica: 4
=====================================
Write number: 499
Temperature: 1.150000
Total energy: -248.450597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.450597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.450597 (E_RNA)
where:
Base-Base interactions energy: -171.564
where: short stacking energy: -64.307
Base-Backbone interact. energy: 0.654
local terms energy: -77.540421
where:
bonds (distance) C4'-P energy: -15.868
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -15.334
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: -18.111
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 499
Temperature: 1.200000
Total energy: -166.225548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.225548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.225548 (E_RNA)
where:
Base-Base interactions energy: -98.722
where: short stacking energy: -37.203
Base-Backbone interact. energy: -0.084
local terms energy: -67.419934
where:
bonds (distance) C4'-P energy: -19.134
bonds (distance) P-C4' energy: -19.425
flat angles C4'-P-C4' energy: -17.738
flat angles P-C4'-P energy: -7.694
tors. eta vs tors. theta energy: -3.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 499
Temperature: 1.250000
Total energy: -103.280581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.280581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.280581 (E_RNA)
where:
Base-Base interactions energy: -32.888
where: short stacking energy: -28.810
Base-Backbone interact. energy: 2.477
local terms energy: -72.869049
where:
bonds (distance) C4'-P energy: -15.649
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -18.941
flat angles P-C4'-P energy: -13.877
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: 9, replica: 7
=====================================
Write number: 499
Temperature: 1.300000
Total energy: -83.638151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.638151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.638151 (E_RNA)
where:
Base-Base interactions energy: -40.278
where: short stacking energy: -28.756
Base-Backbone interact. energy: 5.396
local terms energy: -48.756478
where:
bonds (distance) C4'-P energy: -10.262
bonds (distance) P-C4' energy: -18.002
flat angles C4'-P-C4' energy: -15.801
flat angles P-C4'-P energy: -4.727
tors. eta vs tors. theta energy: 0.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 499
Temperature: 1.350000
Total energy: -96.232363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.232363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.232363 (E_RNA)
where:
Base-Base interactions energy: -42.577
where: short stacking energy: -32.441
Base-Backbone interact. energy: 0.996
local terms energy: -54.650907
where:
bonds (distance) C4'-P energy: -18.515
bonds (distance) P-C4' energy: -16.514
flat angles C4'-P-C4' energy: -10.814
flat angles P-C4'-P energy: -5.354
tors. eta vs tors. theta energy: -3.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)