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/177-VP2-O-3ba7a3b9/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/177-VP2-O-3ba7a3b9/inputs/seq.fa: 1
curr_seq: _ACGAUAUCCGGAUUCAGGAGUUUGU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: ACGAUAUCCGGAUUCAGGAGUUUGU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 25 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 130
n_atoms_counter: 130
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 25.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 0.900
successfully initiated
initiating replica nr: 2
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/177-VP2-O-3ba7a3b9/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/177-VP2-O-3ba7a3b9/inputs/seq.fa: 1
curr_seq: _ACGAUAUCCGGAUUCAGGAGUUUGU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: ACGAUAUCCGGAUUCAGGAGUUUGU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 25 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 130
n_atoms_counter: 130
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 25.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 0.950
successfully initiated
initiating replica nr: 3
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/177-VP2-O-3ba7a3b9/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/177-VP2-O-3ba7a3b9/inputs/seq.fa: 1
curr_seq: _ACGAUAUCCGGAUUCAGGAGUUUGU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: ACGAUAUCCGGAUUCAGGAGUUUGU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 25 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 130
n_atoms_counter: 130
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 25.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.000
successfully initiated
initiating replica nr: 4
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/177-VP2-O-3ba7a3b9/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/177-VP2-O-3ba7a3b9/inputs/seq.fa: 1
curr_seq: _ACGAUAUCCGGAUUCAGGAGUUUGU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: ACGAUAUCCGGAUUCAGGAGUUUGU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 25 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 130
n_atoms_counter: 130
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 25.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.050
successfully initiated
initiating replica nr: 5
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/177-VP2-O-3ba7a3b9/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/177-VP2-O-3ba7a3b9/inputs/seq.fa: 1
curr_seq: _ACGAUAUCCGGAUUCAGGAGUUUGU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: ACGAUAUCCGGAUUCAGGAGUUUGU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 25 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 130
n_atoms_counter: 130
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 25.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.100
successfully initiated
initiating replica nr: 6
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/177-VP2-O-3ba7a3b9/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/177-VP2-O-3ba7a3b9/inputs/seq.fa: 1
curr_seq: _ACGAUAUCCGGAUUCAGGAGUUUGU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: ACGAUAUCCGGAUUCAGGAGUUUGU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 25 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 130
n_atoms_counter: 130
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 25.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.150
successfully initiated
initiating replica nr: 7
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/177-VP2-O-3ba7a3b9/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/177-VP2-O-3ba7a3b9/inputs/seq.fa: 1
curr_seq: _ACGAUAUCCGGAUUCAGGAGUUUGU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: ACGAUAUCCGGAUUCAGGAGUUUGU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 25 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 130
n_atoms_counter: 130
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 25.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.200
successfully initiated
initiating replica nr: 8
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/177-VP2-O-3ba7a3b9/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/177-VP2-O-3ba7a3b9/inputs/seq.fa: 1
curr_seq: _ACGAUAUCCGGAUUCAGGAGUUUGU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: ACGAUAUCCGGAUUCAGGAGUUUGU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 25 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 130
n_atoms_counter: 130
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 25.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.250
successfully initiated
initiating replica nr: 9
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/177-VP2-O-3ba7a3b9/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/177-VP2-O-3ba7a3b9/inputs/seq.fa: 1
curr_seq: _ACGAUAUCCGGAUUCAGGAGUUUGU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: ACGAUAUCCGGAUUCAGGAGUUUGU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 25 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 130
n_atoms_counter: 130
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 25.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.300
successfully initiated
initiating replica nr: 10
before entireStruct->initialize(input)
file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/177-VP2-O-3ba7a3b9/inputs/seq.fa first_line: R
number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/177-VP2-O-3ba7a3b9/inputs/seq.fa: 1
curr_seq: _ACGAUAUCCGGAUUCAGGAGUUUGU_
chainIds_rna: _A_, chainIds_protein: __
chainId: A, chainSeq: ACGAUAUCCGGAUUCAGGAGUUUGU
RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000
RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000
RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000
RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000
RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000
RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000
RNA chains:
chain A contains 25 nucleotides
loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE
loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE
loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE
loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE
loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE
reweighting term eta_theta by 0.400000, default value
scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000
eta-theta term was reweighted by factor 0.400000 provided by the user
reading conformers file: ./data/rna/A_conformers
n_lines: 4766
16 15 69 34 27
46 26 156 83 35
93 127 1269 89 50
187 157 1927 88 75
51 22 67 25 32
DONE
reading conformers file: ./data/rna/C_conformers
n_lines: 5164
7 8 61 17 4
14 12 143 49 12
23 140 2110 21 24
88 101 2101 19 36
25 21 108 8 12
DONE
reading conformers file: ./data/rna/G_conformers
n_lines: 6375
11 7 79 21 50
20 17 175 54 39
42 102 2774 90 34
61 94 2314 71 100
20 22 142 15 21
DONE
reading conformers file: ./data/rna/U_conformers
n_lines: 3617
6 6 43 33 24
20 20 131 50 28
30 58 1412 30 24
64 82 1197 31 32
71 36 132 13 44
DONE
loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE
loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE
loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE
loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE
loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE
loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE
loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE
loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE
loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE
loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE
loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE
loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE
loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE
loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE
loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE
loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE
loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE
scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE
scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE
scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE
scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE
scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE
scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000
loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE
loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE
loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE
loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE
loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE
loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE
loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE
loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE
loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE
scaling: histogram A_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE
scaling: histogram C_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE
scaling: histogram G_3_exvol.hist was multiplied by 0.100000
loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE
scaling: histogram U_3_exvol.hist was multiplied by 0.100000
x_protein_frc: 0.000
x_rna_frc: 1.000
int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 130
n_atoms_counter: 130
Fraction Of RNA Moves = 1.000000
Fraction Of Protein Moves = 0.000000
EntireStructure::rnaStruct limitingSphereRadius : 25.000000 DONE
before calcCenterOfMass();
after calcCenterOfMass();
before calcTotalEnergy();
after calcTotalEnergy();
after entireStruct->initialize(input)
leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input)
number of iterations = 8000000
trajectory write in every 16000 iterations
after each trajectory write attempt of changing replicas will be done
replica Temperature = 1.350
successfully initiated
.calculating
program compiled for parallel execution of replicas in Replica Exchange MC method
program can utilize maximum as many CPU cores as replicas, in this case: 10
==================================
temp. level: 1, replica: 1
=====================================
Write number: 1
Temperature: 0.900000
Total energy: -97.113223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.113223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.113223 (E_RNA)
where:
Base-Base interactions energy: -4.161
where: short stacking energy: -4.161
Base-Backbone interact. energy: -0.000
local terms energy: -92.951928
where:
bonds (distance) C4'-P energy: -24.289
bonds (distance) P-C4' energy: -23.261
flat angles C4'-P-C4' energy: -18.356
flat angles P-C4'-P energy: -20.997
tors. eta vs tors. theta energy: -6.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 1
Temperature: 0.950000
Total energy: -97.113223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.113223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.113223 (E_RNA)
where:
Base-Base interactions energy: -4.161
where: short stacking energy: -4.161
Base-Backbone interact. energy: -0.000
local terms energy: -92.951928
where:
bonds (distance) C4'-P energy: -24.289
bonds (distance) P-C4' energy: -23.261
flat angles C4'-P-C4' energy: -18.356
flat angles P-C4'-P energy: -20.997
tors. eta vs tors. theta energy: -6.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 1
Temperature: 1.000000
Total energy: -97.113223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.113223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.113223 (E_RNA)
where:
Base-Base interactions energy: -4.161
where: short stacking energy: -4.161
Base-Backbone interact. energy: -0.000
local terms energy: -92.951928
where:
bonds (distance) C4'-P energy: -24.289
bonds (distance) P-C4' energy: -23.261
flat angles C4'-P-C4' energy: -18.356
flat angles P-C4'-P energy: -20.997
tors. eta vs tors. theta energy: -6.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 1
Temperature: 1.050000
Total energy: -97.113223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.113223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.113223 (E_RNA)
where:
Base-Base interactions energy: -4.161
where: short stacking energy: -4.161
Base-Backbone interact. energy: -0.000
local terms energy: -92.951928
where:
bonds (distance) C4'-P energy: -24.289
bonds (distance) P-C4' energy: -23.261
flat angles C4'-P-C4' energy: -18.356
flat angles P-C4'-P energy: -20.997
tors. eta vs tors. theta energy: -6.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 1
Temperature: 1.100000
Total energy: -97.113223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.113223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.113223 (E_RNA)
where:
Base-Base interactions energy: -4.161
where: short stacking energy: -4.161
Base-Backbone interact. energy: -0.000
local terms energy: -92.951928
where:
bonds (distance) C4'-P energy: -24.289
bonds (distance) P-C4' energy: -23.261
flat angles C4'-P-C4' energy: -18.356
flat angles P-C4'-P energy: -20.997
tors. eta vs tors. theta energy: -6.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 1
Temperature: 1.150000
Total energy: -97.113223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.113223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.113223 (E_RNA)
where:
Base-Base interactions energy: -4.161
where: short stacking energy: -4.161
Base-Backbone interact. energy: -0.000
local terms energy: -92.951928
where:
bonds (distance) C4'-P energy: -24.289
bonds (distance) P-C4' energy: -23.261
flat angles C4'-P-C4' energy: -18.356
flat angles P-C4'-P energy: -20.997
tors. eta vs tors. theta energy: -6.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 1
Temperature: 1.200000
Total energy: -97.113223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.113223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.113223 (E_RNA)
where:
Base-Base interactions energy: -4.161
where: short stacking energy: -4.161
Base-Backbone interact. energy: -0.000
local terms energy: -92.951928
where:
bonds (distance) C4'-P energy: -24.289
bonds (distance) P-C4' energy: -23.261
flat angles C4'-P-C4' energy: -18.356
flat angles P-C4'-P energy: -20.997
tors. eta vs tors. theta energy: -6.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 1
Temperature: 1.250000
Total energy: -97.113223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.113223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.113223 (E_RNA)
where:
Base-Base interactions energy: -4.161
where: short stacking energy: -4.161
Base-Backbone interact. energy: -0.000
local terms energy: -92.951928
where:
bonds (distance) C4'-P energy: -24.289
bonds (distance) P-C4' energy: -23.261
flat angles C4'-P-C4' energy: -18.356
flat angles P-C4'-P energy: -20.997
tors. eta vs tors. theta energy: -6.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 1
Temperature: 1.300000
Total energy: -97.113223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.113223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.113223 (E_RNA)
where:
Base-Base interactions energy: -4.161
where: short stacking energy: -4.161
Base-Backbone interact. energy: -0.000
local terms energy: -92.951928
where:
bonds (distance) C4'-P energy: -24.289
bonds (distance) P-C4' energy: -23.261
flat angles C4'-P-C4' energy: -18.356
flat angles P-C4'-P energy: -20.997
tors. eta vs tors. theta energy: -6.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 1
Temperature: 1.350000
Total energy: -97.113223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.113223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.113223 (E_RNA)
where:
Base-Base interactions energy: -4.161
where: short stacking energy: -4.161
Base-Backbone interact. energy: -0.000
local terms energy: -92.951928
where:
bonds (distance) C4'-P energy: -24.289
bonds (distance) P-C4' energy: -23.261
flat angles C4'-P-C4' energy: -18.356
flat angles P-C4'-P energy: -20.997
tors. eta vs tors. theta energy: -6.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 2
Temperature: 0.900000
Total energy: -143.386064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.386064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.386064 (E_RNA)
where:
Base-Base interactions energy: -64.886
where: short stacking energy: -64.886
Base-Backbone interact. energy: -0.010
local terms energy: -78.490484
where:
bonds (distance) C4'-P energy: -18.167
bonds (distance) P-C4' energy: -17.358
flat angles C4'-P-C4' energy: -19.457
flat angles P-C4'-P energy: -10.525
tors. eta vs tors. theta energy: -12.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 2
Temperature: 0.950000
Total energy: -147.626011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.626011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.626011 (E_RNA)
where:
Base-Base interactions energy: -65.218
where: short stacking energy: -65.218
Base-Backbone interact. energy: -0.089
local terms energy: -82.319082
where:
bonds (distance) C4'-P energy: -17.464
bonds (distance) P-C4' energy: -20.578
flat angles C4'-P-C4' energy: -19.362
flat angles P-C4'-P energy: -7.505
tors. eta vs tors. theta energy: -17.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 2
Temperature: 1.000000
Total energy: -183.362283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.362283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.362283 (E_RNA)
where:
Base-Base interactions energy: -109.599
where: short stacking energy: -57.363
Base-Backbone interact. energy: 1.142
local terms energy: -74.905484
where:
bonds (distance) C4'-P energy: -13.029
bonds (distance) P-C4' energy: -20.778
flat angles C4'-P-C4' energy: -15.538
flat angles P-C4'-P energy: -14.244
tors. eta vs tors. theta energy: -11.316
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: 4
=====================================
Write number: 2
Temperature: 1.050000
Total energy: -121.462462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.462462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.462462 (E_RNA)
where:
Base-Base interactions energy: -44.163
where: short stacking energy: -43.708
Base-Backbone interact. energy: -0.173
local terms energy: -77.126377
where:
bonds (distance) C4'-P energy: -17.766
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -18.159
flat angles P-C4'-P energy: -12.605
tors. eta vs tors. theta energy: -11.492
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 2
Temperature: 1.100000
Total energy: -122.398445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.398445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.398445 (E_RNA)
where:
Base-Base interactions energy: -52.688
where: short stacking energy: -34.739
Base-Backbone interact. energy: -0.364
local terms energy: -69.346877
where:
bonds (distance) C4'-P energy: -21.789
bonds (distance) P-C4' energy: -13.458
flat angles C4'-P-C4' energy: -12.638
flat angles P-C4'-P energy: -10.846
tors. eta vs tors. theta energy: -10.616
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: 6
=====================================
Write number: 2
Temperature: 1.150000
Total energy: -121.617182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.617182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.617182 (E_RNA)
where:
Base-Base interactions energy: -46.756
where: short stacking energy: -36.690
Base-Backbone interact. energy: -0.090
local terms energy: -74.770764
where:
bonds (distance) C4'-P energy: -17.151
bonds (distance) P-C4' energy: -18.995
flat angles C4'-P-C4' energy: -17.875
flat angles P-C4'-P energy: -13.590
tors. eta vs tors. theta energy: -7.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 2
Temperature: 1.200000
Total energy: -111.541099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.541099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.541099 (E_RNA)
where:
Base-Base interactions energy: -45.500
where: short stacking energy: -37.351
Base-Backbone interact. energy: -0.114
local terms energy: -65.926524
where:
bonds (distance) C4'-P energy: -14.089
bonds (distance) P-C4' energy: -20.540
flat angles C4'-P-C4' energy: -19.076
flat angles P-C4'-P energy: -7.945
tors. eta vs tors. theta energy: -4.276
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 2
Temperature: 1.250000
Total energy: -102.215795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.215795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.215795 (E_RNA)
where:
Base-Base interactions energy: -42.201
where: short stacking energy: -40.826
Base-Backbone interact. energy: -0.102
local terms energy: -59.912939
where:
bonds (distance) C4'-P energy: -16.569
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -10.727
flat angles P-C4'-P energy: -6.745
tors. eta vs tors. theta energy: -8.120
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: 9
=====================================
Write number: 2
Temperature: 1.300000
Total energy: -96.309963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.309963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.309963 (E_RNA)
where:
Base-Base interactions energy: -4.161
where: short stacking energy: -4.161
Base-Backbone interact. energy: -0.000
local terms energy: -92.148667
where:
bonds (distance) C4'-P energy: -24.174
bonds (distance) P-C4' energy: -23.254
flat angles C4'-P-C4' energy: -17.771
flat angles P-C4'-P energy: -20.838
tors. eta vs tors. theta energy: -6.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 2
Temperature: 1.350000
Total energy: -96.309963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.309963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.309963 (E_RNA)
where:
Base-Base interactions energy: -4.161
where: short stacking energy: -4.161
Base-Backbone interact. energy: -0.000
local terms energy: -92.148667
where:
bonds (distance) C4'-P energy: -24.174
bonds (distance) P-C4' energy: -23.254
flat angles C4'-P-C4' energy: -17.771
flat angles P-C4'-P energy: -20.838
tors. eta vs tors. theta energy: -6.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 1
=====================================
Write number: 3
Temperature: 0.900000
Total energy: -165.305033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.305033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.305033 (E_RNA)
where:
Base-Base interactions energy: -92.394
where: short stacking energy: -58.302
Base-Backbone interact. energy: -0.046
local terms energy: -72.864574
where:
bonds (distance) C4'-P energy: -15.245
bonds (distance) P-C4' energy: -15.855
flat angles C4'-P-C4' energy: -15.962
flat angles P-C4'-P energy: -11.489
tors. eta vs tors. theta energy: -14.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 3
Temperature: 0.950000
Total energy: -222.005430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.005430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.005430 (E_RNA)
where:
Base-Base interactions energy: -141.760
where: short stacking energy: -58.676
Base-Backbone interact. energy: 0.757
local terms energy: -81.002591
where:
bonds (distance) C4'-P energy: -18.056
bonds (distance) P-C4' energy: -18.281
flat angles C4'-P-C4' energy: -17.943
flat angles P-C4'-P energy: -12.350
tors. eta vs tors. theta energy: -14.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 3
Temperature: 1.000000
Total energy: -123.321208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.321208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.321208 (E_RNA)
where:
Base-Base interactions energy: -52.838
where: short stacking energy: -52.213
Base-Backbone interact. energy: -0.019
local terms energy: -70.464765
where:
bonds (distance) C4'-P energy: -17.764
bonds (distance) P-C4' energy: -15.306
flat angles C4'-P-C4' energy: -17.918
flat angles P-C4'-P energy: -12.117
tors. eta vs tors. theta energy: -7.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 3
Temperature: 1.050000
Total energy: -186.411780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.411780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.411780 (E_RNA)
where:
Base-Base interactions energy: -114.059
where: short stacking energy: -55.696
Base-Backbone interact. energy: -2.237
local terms energy: -70.115465
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -14.407
flat angles C4'-P-C4' energy: -17.553
flat angles P-C4'-P energy: -13.405
tors. eta vs tors. theta energy: -11.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 3
Temperature: 1.100000
Total energy: -179.060161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.060161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.060161 (E_RNA)
where:
Base-Base interactions energy: -109.916
where: short stacking energy: -48.419
Base-Backbone interact. energy: -0.232
local terms energy: -68.912607
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -19.940
flat angles C4'-P-C4' energy: -15.574
flat angles P-C4'-P energy: -11.632
tors. eta vs tors. theta energy: -6.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 3
Temperature: 1.150000
Total energy: -119.541466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.541466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.541466 (E_RNA)
where:
Base-Base interactions energy: -55.936
where: short stacking energy: -39.944
Base-Backbone interact. energy: -0.274
local terms energy: -63.330999
where:
bonds (distance) C4'-P energy: -13.667
bonds (distance) P-C4' energy: -19.101
flat angles C4'-P-C4' energy: -12.228
flat angles P-C4'-P energy: -12.695
tors. eta vs tors. theta energy: -5.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 3
Temperature: 1.200000
Total energy: -128.249677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.249677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.249677 (E_RNA)
where:
Base-Base interactions energy: -70.366
where: short stacking energy: -28.490
Base-Backbone interact. energy: -0.859
local terms energy: -57.025395
where:
bonds (distance) C4'-P energy: -13.390
bonds (distance) P-C4' energy: -14.013
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -5.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 3
Temperature: 1.250000
Total energy: -115.713131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.713131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.713131 (E_RNA)
where:
Base-Base interactions energy: -56.116
where: short stacking energy: -28.428
Base-Backbone interact. energy: -0.115
local terms energy: -59.482606
where:
bonds (distance) C4'-P energy: -18.020
bonds (distance) P-C4' energy: -15.748
flat angles C4'-P-C4' energy: -12.763
flat angles P-C4'-P energy: -8.900
tors. eta vs tors. theta energy: -4.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 3
Temperature: 1.300000
Total energy: -89.594731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.594731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.594731 (E_RNA)
where:
Base-Base interactions energy: -46.804
where: short stacking energy: -16.308
Base-Backbone interact. energy: 1.457
local terms energy: -44.247254
where:
bonds (distance) C4'-P energy: -10.563
bonds (distance) P-C4' energy: -13.247
flat angles C4'-P-C4' energy: -12.734
flat angles P-C4'-P energy: -10.545
tors. eta vs tors. theta energy: 2.842
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: 10, replica: 10
=====================================
Write number: 3
Temperature: 1.350000
Total energy: -81.358430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.358430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.358430 (E_RNA)
where:
Base-Base interactions energy: -21.537
where: short stacking energy: -19.718
Base-Backbone interact. energy: -1.274
local terms energy: -58.547427
where:
bonds (distance) C4'-P energy: -10.408
bonds (distance) P-C4' energy: -19.718
flat angles C4'-P-C4' energy: -11.984
flat angles P-C4'-P energy: -11.239
tors. eta vs tors. theta energy: -5.199
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: 3
=====================================
Write number: 4
Temperature: 0.900000
Total energy: -245.809797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.809797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.809797 (E_RNA)
where:
Base-Base interactions energy: -157.941
where: short stacking energy: -70.128
Base-Backbone interact. energy: -1.740
local terms energy: -86.129473
where:
bonds (distance) C4'-P energy: -15.578
bonds (distance) P-C4' energy: -19.503
flat angles C4'-P-C4' energy: -16.681
flat angles P-C4'-P energy: -16.119
tors. eta vs tors. theta energy: -18.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 4
Temperature: 0.950000
Total energy: -152.012589 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.012589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.012589 (E_RNA)
where:
Base-Base interactions energy: -76.799
where: short stacking energy: -51.423
Base-Backbone interact. energy: -0.083
local terms energy: -75.130421
where:
bonds (distance) C4'-P energy: -15.736
bonds (distance) P-C4' energy: -19.926
flat angles C4'-P-C4' energy: -18.839
flat angles P-C4'-P energy: -13.160
tors. eta vs tors. theta energy: -7.470
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: 4
=====================================
Write number: 4
Temperature: 1.000000
Total energy: -184.714600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.714600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.714600 (E_RNA)
where:
Base-Base interactions energy: -111.434
where: short stacking energy: -48.370
Base-Backbone interact. energy: -0.148
local terms energy: -73.133012
where:
bonds (distance) C4'-P energy: -12.015
bonds (distance) P-C4' energy: -21.544
flat angles C4'-P-C4' energy: -20.439
flat angles P-C4'-P energy: -10.479
tors. eta vs tors. theta energy: -8.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 4
Temperature: 1.050000
Total energy: -135.050350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.050350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.050350 (E_RNA)
where:
Base-Base interactions energy: -63.574
where: short stacking energy: -48.831
Base-Backbone interact. energy: 0.074
local terms energy: -71.550337
where:
bonds (distance) C4'-P energy: -14.581
bonds (distance) P-C4' energy: -18.714
flat angles C4'-P-C4' energy: -16.880
flat angles P-C4'-P energy: -8.580
tors. eta vs tors. theta energy: -12.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 4
Temperature: 1.100000
Total energy: -166.349970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.349970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.349970 (E_RNA)
where:
Base-Base interactions energy: -93.684
where: short stacking energy: -38.736
Base-Backbone interact. energy: -0.675
local terms energy: -71.990949
where:
bonds (distance) C4'-P energy: -18.532
bonds (distance) P-C4' energy: -18.840
flat angles C4'-P-C4' energy: -14.260
flat angles P-C4'-P energy: -13.567
tors. eta vs tors. theta energy: -6.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 4
Temperature: 1.150000
Total energy: -96.807285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.807285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.807285 (E_RNA)
where:
Base-Base interactions energy: -39.024
where: short stacking energy: -33.772
Base-Backbone interact. energy: 0.039
local terms energy: -57.822649
where:
bonds (distance) C4'-P energy: -11.449
bonds (distance) P-C4' energy: -18.238
flat angles C4'-P-C4' energy: -14.306
flat angles P-C4'-P energy: -11.152
tors. eta vs tors. theta energy: -2.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 4
Temperature: 1.200000
Total energy: -105.920063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.920063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.920063 (E_RNA)
where:
Base-Base interactions energy: -48.073
where: short stacking energy: -36.212
Base-Backbone interact. energy: -0.612
local terms energy: -57.235360
where:
bonds (distance) C4'-P energy: -17.543
bonds (distance) P-C4' energy: -12.364
flat angles C4'-P-C4' energy: -15.350
flat angles P-C4'-P energy: -11.364
tors. eta vs tors. theta energy: -0.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 4
Temperature: 1.250000
Total energy: -108.344354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.344354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.344354 (E_RNA)
where:
Base-Base interactions energy: -54.308
where: short stacking energy: -27.847
Base-Backbone interact. energy: -0.125
local terms energy: -53.911498
where:
bonds (distance) C4'-P energy: -15.996
bonds (distance) P-C4' energy: -15.466
flat angles C4'-P-C4' energy: -6.170
flat angles P-C4'-P energy: -10.734
tors. eta vs tors. theta energy: -5.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 4
Temperature: 1.300000
Total energy: -98.958259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.958259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.958259 (E_RNA)
where:
Base-Base interactions energy: -37.345
where: short stacking energy: -32.313
Base-Backbone interact. energy: -0.117
local terms energy: -61.495958
where:
bonds (distance) C4'-P energy: -14.023
bonds (distance) P-C4' energy: -15.516
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -7.850
tors. eta vs tors. theta energy: -9.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 4
Temperature: 1.350000
Total energy: -78.025340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.025340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.025340 (E_RNA)
where:
Base-Base interactions energy: -29.417
where: short stacking energy: -19.191
Base-Backbone interact. energy: 0.561
local terms energy: -49.169053
where:
bonds (distance) C4'-P energy: -13.427
bonds (distance) P-C4' energy: -12.670
flat angles C4'-P-C4' energy: -13.950
flat angles P-C4'-P energy: -12.260
tors. eta vs tors. theta energy: 3.138
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 5
Temperature: 0.900000
Total energy: -256.135326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.135326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.135326 (E_RNA)
where:
Base-Base interactions energy: -168.274
where: short stacking energy: -69.829
Base-Backbone interact. energy: -1.981
local terms energy: -85.880326
where:
bonds (distance) C4'-P energy: -21.040
bonds (distance) P-C4' energy: -17.702
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -14.999
tors. eta vs tors. theta energy: -16.630
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: 2, replica: 4
=====================================
Write number: 5
Temperature: 0.950000
Total energy: -220.387787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.387787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.387787 (E_RNA)
where:
Base-Base interactions energy: -131.317
where: short stacking energy: -63.770
Base-Backbone interact. energy: -0.816
local terms energy: -88.254187
where:
bonds (distance) C4'-P energy: -18.200
bonds (distance) P-C4' energy: -19.382
flat angles C4'-P-C4' energy: -21.706
flat angles P-C4'-P energy: -13.011
tors. eta vs tors. theta energy: -15.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 5
Temperature: 1.000000
Total energy: -176.373289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.373289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.373289 (E_RNA)
where:
Base-Base interactions energy: -99.767
where: short stacking energy: -61.173
Base-Backbone interact. energy: -0.085
local terms energy: -76.520372
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -18.263
flat angles C4'-P-C4' energy: -14.939
flat angles P-C4'-P energy: -12.589
tors. eta vs tors. theta energy: -15.816
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: 5
=====================================
Write number: 5
Temperature: 1.050000
Total energy: -170.421645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.421645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.421645 (E_RNA)
where:
Base-Base interactions energy: -110.052
where: short stacking energy: -51.610
Base-Backbone interact. energy: -0.174
local terms energy: -60.195987
where:
bonds (distance) C4'-P energy: -13.435
bonds (distance) P-C4' energy: -14.714
flat angles C4'-P-C4' energy: -10.899
flat angles P-C4'-P energy: -14.060
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: 5, replica: 2
=====================================
Write number: 5
Temperature: 1.100000
Total energy: -116.180520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.180520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.180520 (E_RNA)
where:
Base-Base interactions energy: -52.215
where: short stacking energy: -42.725
Base-Backbone interact. energy: -0.157
local terms energy: -63.808596
where:
bonds (distance) C4'-P energy: -16.460
bonds (distance) P-C4' energy: -15.602
flat angles C4'-P-C4' energy: -16.217
flat angles P-C4'-P energy: -10.158
tors. eta vs tors. theta energy: -5.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 5
Temperature: 1.150000
Total energy: -117.912620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.912620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.912620 (E_RNA)
where:
Base-Base interactions energy: -41.409
where: short stacking energy: -35.794
Base-Backbone interact. energy: -0.202
local terms energy: -76.301887
where:
bonds (distance) C4'-P energy: -17.278
bonds (distance) P-C4' energy: -17.558
flat angles C4'-P-C4' energy: -18.528
flat angles P-C4'-P energy: -10.565
tors. eta vs tors. theta energy: -12.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 5
Temperature: 1.200000
Total energy: -95.569802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.569802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.569802 (E_RNA)
where:
Base-Base interactions energy: -35.463
where: short stacking energy: -29.786
Base-Backbone interact. energy: 0.183
local terms energy: -60.289071
where:
bonds (distance) C4'-P energy: -16.221
bonds (distance) P-C4' energy: -10.713
flat angles C4'-P-C4' energy: -19.069
flat angles P-C4'-P energy: -13.808
tors. eta vs tors. theta energy: -0.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 5
Temperature: 1.250000
Total energy: -100.637150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.637150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.637150 (E_RNA)
where:
Base-Base interactions energy: -45.701
where: short stacking energy: -33.585
Base-Backbone interact. energy: 0.448
local terms energy: -55.383931
where:
bonds (distance) C4'-P energy: -16.952
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -10.088
flat angles P-C4'-P energy: -8.207
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: 9, replica: 6
=====================================
Write number: 5
Temperature: 1.300000
Total energy: -106.068219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.068219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.068219 (E_RNA)
where:
Base-Base interactions energy: -45.305
where: short stacking energy: -44.176
Base-Backbone interact. energy: -0.422
local terms energy: -60.341020
where:
bonds (distance) C4'-P energy: -16.370
bonds (distance) P-C4' energy: -13.410
flat angles C4'-P-C4' energy: -12.961
flat angles P-C4'-P energy: -8.608
tors. eta vs tors. theta energy: -8.991
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 5
Temperature: 1.350000
Total energy: -85.853328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.853328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.853328 (E_RNA)
where:
Base-Base interactions energy: -33.440
where: short stacking energy: -33.277
Base-Backbone interact. energy: -0.552
local terms energy: -51.862067
where:
bonds (distance) C4'-P energy: -13.033
bonds (distance) P-C4' energy: -14.344
flat angles C4'-P-C4' energy: -14.378
flat angles P-C4'-P energy: -6.838
tors. eta vs tors. theta energy: -3.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 6
Temperature: 0.900000
Total energy: -254.116021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.116021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.116021 (E_RNA)
where:
Base-Base interactions energy: -170.681
where: short stacking energy: -68.619
Base-Backbone interact. energy: -1.906
local terms energy: -81.528730
where:
bonds (distance) C4'-P energy: -15.691
bonds (distance) P-C4' energy: -19.299
flat angles C4'-P-C4' energy: -18.192
flat angles P-C4'-P energy: -12.841
tors. eta vs tors. theta energy: -15.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 6
Temperature: 0.950000
Total energy: -224.129363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.129363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.129363 (E_RNA)
where:
Base-Base interactions energy: -149.762
where: short stacking energy: -64.001
Base-Backbone interact. energy: -1.909
local terms energy: -72.457399
where:
bonds (distance) C4'-P energy: -15.465
bonds (distance) P-C4' energy: -16.906
flat angles C4'-P-C4' energy: -16.963
flat angles P-C4'-P energy: -9.713
tors. eta vs tors. theta energy: -13.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 6
Temperature: 1.000000
Total energy: -199.731692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.731692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.731692 (E_RNA)
where:
Base-Base interactions energy: -117.436
where: short stacking energy: -64.861
Base-Backbone interact. energy: -1.013
local terms energy: -81.282415
where:
bonds (distance) C4'-P energy: -19.003
bonds (distance) P-C4' energy: -14.726
flat angles C4'-P-C4' energy: -18.292
flat angles P-C4'-P energy: -10.750
tors. eta vs tors. theta energy: -18.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 6
Temperature: 1.050000
Total energy: -151.874688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.874688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.874688 (E_RNA)
where:
Base-Base interactions energy: -84.538
where: short stacking energy: -43.336
Base-Backbone interact. energy: -1.924
local terms energy: -65.412571
where:
bonds (distance) C4'-P energy: -14.317
bonds (distance) P-C4' energy: -19.977
flat angles C4'-P-C4' energy: -14.924
flat angles P-C4'-P energy: -10.929
tors. eta vs tors. theta energy: -5.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 6
Temperature: 1.100000
Total energy: -120.978520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.978520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.978520 (E_RNA)
where:
Base-Base interactions energy: -58.981
where: short stacking energy: -34.009
Base-Backbone interact. energy: -0.267
local terms energy: -61.730539
where:
bonds (distance) C4'-P energy: -17.890
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -17.765
flat angles P-C4'-P energy: -5.820
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: 6, replica: 2
=====================================
Write number: 6
Temperature: 1.150000
Total energy: -115.967572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.967572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.967572 (E_RNA)
where:
Base-Base interactions energy: -49.385
where: short stacking energy: -32.439
Base-Backbone interact. energy: -0.581
local terms energy: -66.001323
where:
bonds (distance) C4'-P energy: -16.060
bonds (distance) P-C4' energy: -16.937
flat angles C4'-P-C4' energy: -17.277
flat angles P-C4'-P energy: -11.694
tors. eta vs tors. theta energy: -4.032
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 6
Temperature: 1.200000
Total energy: -107.906435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.906435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.906435 (E_RNA)
where:
Base-Base interactions energy: -41.549
where: short stacking energy: -41.549
Base-Backbone interact. energy: 0.383
local terms energy: -66.740212
where:
bonds (distance) C4'-P energy: -10.744
bonds (distance) P-C4' energy: -15.053
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -11.778
tors. eta vs tors. theta energy: -13.172
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: 9
=====================================
Write number: 6
Temperature: 1.250000
Total energy: -86.038404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.038404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.038404 (E_RNA)
where:
Base-Base interactions energy: -34.375
where: short stacking energy: -30.430
Base-Backbone interact. energy: -0.263
local terms energy: -51.399605
where:
bonds (distance) C4'-P energy: -13.129
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -3.522
flat angles P-C4'-P energy: -8.669
tors. eta vs tors. theta energy: -8.103
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: 8
=====================================
Write number: 6
Temperature: 1.300000
Total energy: -87.065132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.065132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.065132 (E_RNA)
where:
Base-Base interactions energy: -30.589
where: short stacking energy: -22.596
Base-Backbone interact. energy: -0.189
local terms energy: -56.287150
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -19.360
flat angles C4'-P-C4' energy: -14.314
flat angles P-C4'-P energy: -10.312
tors. eta vs tors. theta energy: 0.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 6
Temperature: 1.350000
Total energy: -103.475603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.475603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.475603 (E_RNA)
where:
Base-Base interactions energy: -39.731
where: short stacking energy: -35.880
Base-Backbone interact. energy: -0.215
local terms energy: -63.529493
where:
bonds (distance) C4'-P energy: -16.426
bonds (distance) P-C4' energy: -17.810
flat angles C4'-P-C4' energy: -12.818
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -6.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 7
Temperature: 0.900000
Total energy: -248.464831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.464831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.464831 (E_RNA)
where:
Base-Base interactions energy: -165.634
where: short stacking energy: -67.495
Base-Backbone interact. energy: -0.926
local terms energy: -81.904921
where:
bonds (distance) C4'-P energy: -19.471
bonds (distance) P-C4' energy: -16.915
flat angles C4'-P-C4' energy: -17.872
flat angles P-C4'-P energy: -10.979
tors. eta vs tors. theta energy: -16.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 7
Temperature: 0.950000
Total energy: -233.802058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.802058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.802058 (E_RNA)
where:
Base-Base interactions energy: -156.237
where: short stacking energy: -70.905
Base-Backbone interact. energy: -0.223
local terms energy: -77.341849
where:
bonds (distance) C4'-P energy: -17.793
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -14.930
flat angles P-C4'-P energy: -8.913
tors. eta vs tors. theta energy: -18.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 7
Temperature: 1.000000
Total energy: -229.245880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.245880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.245880 (E_RNA)
where:
Base-Base interactions energy: -144.738
where: short stacking energy: -72.857
Base-Backbone interact. energy: -0.220
local terms energy: -84.288183
where:
bonds (distance) C4'-P energy: -14.272
bonds (distance) P-C4' energy: -18.262
flat angles C4'-P-C4' energy: -16.254
flat angles P-C4'-P energy: -13.240
tors. eta vs tors. theta energy: -22.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 7
Temperature: 1.050000
Total energy: -134.696004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.696004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.696004 (E_RNA)
where:
Base-Base interactions energy: -59.372
where: short stacking energy: -59.372
Base-Backbone interact. energy: -0.084
local terms energy: -75.239734
where:
bonds (distance) C4'-P energy: -14.038
bonds (distance) P-C4' energy: -17.195
flat angles C4'-P-C4' energy: -18.726
flat angles P-C4'-P energy: -9.603
tors. eta vs tors. theta energy: -15.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 7
Temperature: 1.100000
Total energy: -164.543726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.543726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.543726 (E_RNA)
where:
Base-Base interactions energy: -95.650
where: short stacking energy: -42.529
Base-Backbone interact. energy: -0.534
local terms energy: -68.359616
where:
bonds (distance) C4'-P energy: -19.305
bonds (distance) P-C4' energy: -15.619
flat angles C4'-P-C4' energy: -12.692
flat angles P-C4'-P energy: -7.054
tors. eta vs tors. theta energy: -13.689
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 7
Temperature: 1.150000
Total energy: -111.767362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.767362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.767362 (E_RNA)
where:
Base-Base interactions energy: -48.374
where: short stacking energy: -45.179
Base-Backbone interact. energy: -0.088
local terms energy: -63.305035
where:
bonds (distance) C4'-P energy: -16.904
bonds (distance) P-C4' energy: -15.539
flat angles C4'-P-C4' energy: -12.779
flat angles P-C4'-P energy: -12.851
tors. eta vs tors. theta energy: -5.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 7
Temperature: 1.200000
Total energy: -108.447012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.447012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.447012 (E_RNA)
where:
Base-Base interactions energy: -40.270
where: short stacking energy: -40.270
Base-Backbone interact. energy: -0.055
local terms energy: -68.122109
where:
bonds (distance) C4'-P energy: -15.287
bonds (distance) P-C4' energy: -18.922
flat angles C4'-P-C4' energy: -11.037
flat angles P-C4'-P energy: -14.219
tors. eta vs tors. theta energy: -8.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 7
Temperature: 1.250000
Total energy: -100.728421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.728421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.728421 (E_RNA)
where:
Base-Base interactions energy: -40.931
where: short stacking energy: -35.213
Base-Backbone interact. energy: -0.256
local terms energy: -59.542034
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -17.576
flat angles P-C4'-P energy: -7.570
tors. eta vs tors. theta energy: -4.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 7
Temperature: 1.300000
Total energy: -85.448512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.448512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.448512 (E_RNA)
where:
Base-Base interactions energy: -33.163
where: short stacking energy: -18.113
Base-Backbone interact. energy: -1.155
local terms energy: -51.130244
where:
bonds (distance) C4'-P energy: -19.350
bonds (distance) P-C4' energy: -14.318
flat angles C4'-P-C4' energy: -11.253
flat angles P-C4'-P energy: -8.573
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: 10, replica: 6
=====================================
Write number: 7
Temperature: 1.350000
Total energy: -90.214637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.214637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.214637 (E_RNA)
where:
Base-Base interactions energy: -39.340
where: short stacking energy: -32.796
Base-Backbone interact. energy: -0.180
local terms energy: -50.694721
where:
bonds (distance) C4'-P energy: -11.858
bonds (distance) P-C4' energy: -17.536
flat angles C4'-P-C4' energy: -12.399
flat angles P-C4'-P energy: -8.412
tors. eta vs tors. theta energy: -0.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 8
Temperature: 0.900000
Total energy: -244.081141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.081141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.081141 (E_RNA)
where:
Base-Base interactions energy: -164.202
where: short stacking energy: -70.040
Base-Backbone interact. energy: -1.268
local terms energy: -78.611042
where:
bonds (distance) C4'-P energy: -16.584
bonds (distance) P-C4' energy: -15.804
flat angles C4'-P-C4' energy: -19.583
flat angles P-C4'-P energy: -10.257
tors. eta vs tors. theta energy: -16.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 8
Temperature: 0.950000
Total energy: -264.753743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.753743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.753743 (E_RNA)
where:
Base-Base interactions energy: -176.515
where: short stacking energy: -71.464
Base-Backbone interact. energy: 0.185
local terms energy: -88.423649
where:
bonds (distance) C4'-P energy: -18.449
bonds (distance) P-C4' energy: -20.185
flat angles C4'-P-C4' energy: -18.641
flat angles P-C4'-P energy: -11.324
tors. eta vs tors. theta energy: -19.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 8
Temperature: 1.000000
Total energy: -217.345370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.345370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.345370 (E_RNA)
where:
Base-Base interactions energy: -140.511
where: short stacking energy: -68.765
Base-Backbone interact. energy: -0.236
local terms energy: -76.598455
where:
bonds (distance) C4'-P energy: -13.960
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -18.496
flat angles P-C4'-P energy: -10.523
tors. eta vs tors. theta energy: -18.721
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: 4, replica: 7
=====================================
Write number: 8
Temperature: 1.050000
Total energy: -181.128898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.128898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.128898 (E_RNA)
where:
Base-Base interactions energy: -106.798
where: short stacking energy: -52.856
Base-Backbone interact. energy: 0.031
local terms energy: -74.362484
where:
bonds (distance) C4'-P energy: -13.625
bonds (distance) P-C4' energy: -19.453
flat angles C4'-P-C4' energy: -15.501
flat angles P-C4'-P energy: -9.863
tors. eta vs tors. theta energy: -15.920
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: 10
=====================================
Write number: 8
Temperature: 1.100000
Total energy: -114.746059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.746059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.746059 (E_RNA)
where:
Base-Base interactions energy: -51.774
where: short stacking energy: -43.537
Base-Backbone interact. energy: -0.234
local terms energy: -62.737455
where:
bonds (distance) C4'-P energy: -16.577
bonds (distance) P-C4' energy: -16.722
flat angles C4'-P-C4' energy: -13.203
flat angles P-C4'-P energy: -10.833
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: 6, replica: 1
=====================================
Write number: 8
Temperature: 1.150000
Total energy: -153.279668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.279668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.279668 (E_RNA)
where:
Base-Base interactions energy: -86.578
where: short stacking energy: -45.692
Base-Backbone interact. energy: 0.739
local terms energy: -67.441048
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -15.582
flat angles C4'-P-C4' energy: -18.490
flat angles P-C4'-P energy: -9.201
tors. eta vs tors. theta energy: -9.028
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: 2
=====================================
Write number: 8
Temperature: 1.200000
Total energy: -98.949397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.949397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.949397 (E_RNA)
where:
Base-Base interactions energy: -43.986
where: short stacking energy: -36.191
Base-Backbone interact. energy: 1.407
local terms energy: -56.370281
where:
bonds (distance) C4'-P energy: -11.212
bonds (distance) P-C4' energy: -15.036
flat angles C4'-P-C4' energy: -18.933
flat angles P-C4'-P energy: -5.058
tors. eta vs tors. theta energy: -6.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 8
Temperature: 1.250000
Total energy: -108.463558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.463558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.463558 (E_RNA)
where:
Base-Base interactions energy: -40.935
where: short stacking energy: -40.935
Base-Backbone interact. energy: -0.507
local terms energy: -67.022101
where:
bonds (distance) C4'-P energy: -17.013
bonds (distance) P-C4' energy: -13.869
flat angles C4'-P-C4' energy: -19.912
flat angles P-C4'-P energy: -9.982
tors. eta vs tors. theta energy: -6.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 8
Temperature: 1.300000
Total energy: -97.583534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.583534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.583534 (E_RNA)
where:
Base-Base interactions energy: -33.332
where: short stacking energy: -27.369
Base-Backbone interact. energy: -0.410
local terms energy: -63.841645
where:
bonds (distance) C4'-P energy: -16.249
bonds (distance) P-C4' energy: -18.668
flat angles C4'-P-C4' energy: -20.378
flat angles P-C4'-P energy: -8.213
tors. eta vs tors. theta energy: -0.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 8
Temperature: 1.350000
Total energy: -84.160446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.160446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.160446 (E_RNA)
where:
Base-Base interactions energy: -25.685
where: short stacking energy: -25.685
Base-Backbone interact. energy: -0.068
local terms energy: -58.407336
where:
bonds (distance) C4'-P energy: -16.483
bonds (distance) P-C4' energy: -15.926
flat angles C4'-P-C4' energy: -12.650
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -3.295
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: 3
=====================================
Write number: 9
Temperature: 0.900000
Total energy: -255.464966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.464966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.464966 (E_RNA)
where:
Base-Base interactions energy: -165.368
where: short stacking energy: -71.853
Base-Backbone interact. energy: -2.203
local terms energy: -87.893910
where:
bonds (distance) C4'-P energy: -16.917
bonds (distance) P-C4' energy: -19.098
flat angles C4'-P-C4' energy: -17.900
flat angles P-C4'-P energy: -15.892
tors. eta vs tors. theta energy: -18.086
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: 5
=====================================
Write number: 9
Temperature: 0.950000
Total energy: -268.557899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.557899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.557899 (E_RNA)
where:
Base-Base interactions energy: -172.106
where: short stacking energy: -81.871
Base-Backbone interact. energy: -0.300
local terms energy: -96.151722
where:
bonds (distance) C4'-P energy: -18.656
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -19.778
flat angles P-C4'-P energy: -13.398
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: 3, replica: 4
=====================================
Write number: 9
Temperature: 1.000000
Total energy: -219.847170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.847170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.847170 (E_RNA)
where:
Base-Base interactions energy: -132.837
where: short stacking energy: -61.900
Base-Backbone interact. energy: -1.742
local terms energy: -85.267889
where:
bonds (distance) C4'-P energy: -13.369
bonds (distance) P-C4' energy: -20.128
flat angles C4'-P-C4' energy: -17.768
flat angles P-C4'-P energy: -13.739
tors. eta vs tors. theta energy: -20.264
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: 7
=====================================
Write number: 9
Temperature: 1.050000
Total energy: -203.913019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.913019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.913019 (E_RNA)
where:
Base-Base interactions energy: -125.092
where: short stacking energy: -60.063
Base-Backbone interact. energy: -0.119
local terms energy: -78.701965
where:
bonds (distance) C4'-P energy: -17.356
bonds (distance) P-C4' energy: -17.494
flat angles C4'-P-C4' energy: -17.282
flat angles P-C4'-P energy: -10.813
tors. eta vs tors. theta energy: -15.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 9
Temperature: 1.100000
Total energy: -101.649065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.649065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.649065 (E_RNA)
where:
Base-Base interactions energy: -42.223
where: short stacking energy: -26.293
Base-Backbone interact. energy: -0.284
local terms energy: -59.142349
where:
bonds (distance) C4'-P energy: -13.586
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -16.098
flat angles P-C4'-P energy: -9.851
tors. eta vs tors. theta energy: -1.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 9
Temperature: 1.150000
Total energy: -156.799980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.799980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.799980 (E_RNA)
where:
Base-Base interactions energy: -87.836
where: short stacking energy: -43.584
Base-Backbone interact. energy: -0.141
local terms energy: -68.822673
where:
bonds (distance) C4'-P energy: -14.334
bonds (distance) P-C4' energy: -20.784
flat angles C4'-P-C4' energy: -12.670
flat angles P-C4'-P energy: -8.849
tors. eta vs tors. theta energy: -12.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 9
Temperature: 1.200000
Total energy: -112.844919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.844919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.844919 (E_RNA)
where:
Base-Base interactions energy: -36.832
where: short stacking energy: -36.832
Base-Backbone interact. energy: -0.150
local terms energy: -75.862900
where:
bonds (distance) C4'-P energy: -17.847
bonds (distance) P-C4' energy: -21.783
flat angles C4'-P-C4' energy: -17.546
flat angles P-C4'-P energy: -10.877
tors. eta vs tors. theta energy: -7.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 9
Temperature: 1.250000
Total energy: -97.710736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.710736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.710736 (E_RNA)
where:
Base-Base interactions energy: -32.430
where: short stacking energy: -30.214
Base-Backbone interact. energy: -0.234
local terms energy: -65.047055
where:
bonds (distance) C4'-P energy: -13.468
bonds (distance) P-C4' energy: -17.098
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -7.992
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: 8
=====================================
Write number: 9
Temperature: 1.300000
Total energy: -81.242994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.242994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.242994 (E_RNA)
where:
Base-Base interactions energy: -27.308
where: short stacking energy: -27.297
Base-Backbone interact. energy: -0.140
local terms energy: -53.794081
where:
bonds (distance) C4'-P energy: -12.860
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -8.779
tors. eta vs tors. theta energy: -3.325
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: 9
=====================================
Write number: 9
Temperature: 1.350000
Total energy: -100.321402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.321402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.321402 (E_RNA)
where:
Base-Base interactions energy: -41.826
where: short stacking energy: -37.945
Base-Backbone interact. energy: 0.362
local terms energy: -58.858380
where:
bonds (distance) C4'-P energy: -19.008
bonds (distance) P-C4' energy: -17.713
flat angles C4'-P-C4' energy: -12.530
flat angles P-C4'-P energy: -8.439
tors. eta vs tors. theta energy: -1.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 10
Temperature: 0.900000
Total energy: -290.529600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.529600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.529600 (E_RNA)
where:
Base-Base interactions energy: -201.210
where: short stacking energy: -84.103
Base-Backbone interact. energy: -0.047
local terms energy: -89.272266
where:
bonds (distance) C4'-P energy: -18.023
bonds (distance) P-C4' energy: -16.751
flat angles C4'-P-C4' energy: -18.603
flat angles P-C4'-P energy: -11.525
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: 2, replica: 3
=====================================
Write number: 10
Temperature: 0.950000
Total energy: -251.384575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.384575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.384575 (E_RNA)
where:
Base-Base interactions energy: -170.777
where: short stacking energy: -69.917
Base-Backbone interact. energy: -0.823
local terms energy: -79.784571
where:
bonds (distance) C4'-P energy: -16.915
bonds (distance) P-C4' energy: -15.670
flat angles C4'-P-C4' energy: -18.699
flat angles P-C4'-P energy: -10.742
tors. eta vs tors. theta energy: -17.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 10
Temperature: 1.000000
Total energy: -198.044820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.044820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.044820 (E_RNA)
where:
Base-Base interactions energy: -117.951
where: short stacking energy: -53.211
Base-Backbone interact. energy: -0.326
local terms energy: -79.767225
where:
bonds (distance) C4'-P energy: -18.357
bonds (distance) P-C4' energy: -13.120
flat angles C4'-P-C4' energy: -19.535
flat angles P-C4'-P energy: -15.287
tors. eta vs tors. theta energy: -13.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 10
Temperature: 1.050000
Total energy: -207.252831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.252831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.252831 (E_RNA)
where:
Base-Base interactions energy: -133.065
where: short stacking energy: -54.643
Base-Backbone interact. energy: -0.393
local terms energy: -73.795175
where:
bonds (distance) C4'-P energy: -18.027
bonds (distance) P-C4' energy: -19.110
flat angles C4'-P-C4' energy: -12.569
flat angles P-C4'-P energy: -9.191
tors. eta vs tors. theta energy: -14.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 10
Temperature: 1.100000
Total energy: -157.440956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.440956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.440956 (E_RNA)
where:
Base-Base interactions energy: -89.786
where: short stacking energy: -35.589
Base-Backbone interact. energy: -0.133
local terms energy: -67.522169
where:
bonds (distance) C4'-P energy: -14.958
bonds (distance) P-C4' energy: -21.182
flat angles C4'-P-C4' energy: -16.304
flat angles P-C4'-P energy: -6.330
tors. eta vs tors. theta energy: -8.747
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 10
Temperature: 1.150000
Total energy: -104.173794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.173794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.173794 (E_RNA)
where:
Base-Base interactions energy: -33.472
where: short stacking energy: -33.472
Base-Backbone interact. energy: -0.153
local terms energy: -70.549150
where:
bonds (distance) C4'-P energy: -13.615
bonds (distance) P-C4' energy: -19.572
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -15.168
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: 7, replica: 2
=====================================
Write number: 10
Temperature: 1.200000
Total energy: -107.413237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.413237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.413237 (E_RNA)
where:
Base-Base interactions energy: -47.026
where: short stacking energy: -46.009
Base-Backbone interact. energy: -0.066
local terms energy: -60.322214
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -18.720
flat angles C4'-P-C4' energy: -14.908
flat angles P-C4'-P energy: -9.174
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: 8, replica: 6
=====================================
Write number: 10
Temperature: 1.250000
Total energy: -94.493678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.493678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.493678 (E_RNA)
where:
Base-Base interactions energy: -33.293
where: short stacking energy: -23.527
Base-Backbone interact. energy: -0.039
local terms energy: -61.162183
where:
bonds (distance) C4'-P energy: -18.134
bonds (distance) P-C4' energy: -15.440
flat angles C4'-P-C4' energy: -15.214
flat angles P-C4'-P energy: -10.100
tors. eta vs tors. theta energy: -2.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 10
Temperature: 1.300000
Total energy: -90.719060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.719060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.719060 (E_RNA)
where:
Base-Base interactions energy: -26.336
where: short stacking energy: -26.230
Base-Backbone interact. energy: -0.040
local terms energy: -64.342730
where:
bonds (distance) C4'-P energy: -19.694
bonds (distance) P-C4' energy: -19.252
flat angles C4'-P-C4' energy: -16.432
flat angles P-C4'-P energy: -8.953
tors. eta vs tors. theta energy: -0.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 10
Temperature: 1.350000
Total energy: -81.664183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.664183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.664183 (E_RNA)
where:
Base-Base interactions energy: -21.191
where: short stacking energy: -21.191
Base-Backbone interact. energy: -0.914
local terms energy: -59.558849
where:
bonds (distance) C4'-P energy: -18.424
bonds (distance) P-C4' energy: -15.134
flat angles C4'-P-C4' energy: -14.677
flat angles P-C4'-P energy: -6.957
tors. eta vs tors. theta energy: -4.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 11
Temperature: 0.900000
Total energy: -282.840089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.840089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.840089 (E_RNA)
where:
Base-Base interactions energy: -197.195
where: short stacking energy: -80.874
Base-Backbone interact. energy: -0.264
local terms energy: -85.380751
where:
bonds (distance) C4'-P energy: -13.058
bonds (distance) P-C4' energy: -18.116
flat angles C4'-P-C4' energy: -18.373
flat angles P-C4'-P energy: -14.550
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: 2, replica: 7
=====================================
Write number: 11
Temperature: 0.950000
Total energy: -200.866381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.866381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.866381 (E_RNA)
where:
Base-Base interactions energy: -124.454
where: short stacking energy: -69.707
Base-Backbone interact. energy: -0.109
local terms energy: -76.302935
where:
bonds (distance) C4'-P energy: -15.115
bonds (distance) P-C4' energy: -19.696
flat angles C4'-P-C4' energy: -15.371
flat angles P-C4'-P energy: -10.686
tors. eta vs tors. theta energy: -15.434
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: 3, replica: 3
=====================================
Write number: 11
Temperature: 1.000000
Total energy: -241.147788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.147788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.147788 (E_RNA)
where:
Base-Base interactions energy: -158.901
where: short stacking energy: -65.956
Base-Backbone interact. energy: -0.998
local terms energy: -81.248591
where:
bonds (distance) C4'-P energy: -16.643
bonds (distance) P-C4' energy: -20.683
flat angles C4'-P-C4' energy: -14.978
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: -18.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 11
Temperature: 1.050000
Total energy: -207.352471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.352471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.352471 (E_RNA)
where:
Base-Base interactions energy: -137.276
where: short stacking energy: -61.139
Base-Backbone interact. energy: -0.687
local terms energy: -69.389036
where:
bonds (distance) C4'-P energy: -13.430
bonds (distance) P-C4' energy: -18.911
flat angles C4'-P-C4' energy: -12.754
flat angles P-C4'-P energy: -10.984
tors. eta vs tors. theta energy: -13.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 11
Temperature: 1.100000
Total energy: -186.996233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.996233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.996233 (E_RNA)
where:
Base-Base interactions energy: -121.051
where: short stacking energy: -53.693
Base-Backbone interact. energy: -0.090
local terms energy: -65.855677
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -16.746
flat angles C4'-P-C4' energy: -12.521
flat angles P-C4'-P energy: -12.229
tors. eta vs tors. theta energy: -9.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 11
Temperature: 1.150000
Total energy: -116.639158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.639158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.639158 (E_RNA)
where:
Base-Base interactions energy: -49.149
where: short stacking energy: -49.103
Base-Backbone interact. energy: -0.168
local terms energy: -67.321725
where:
bonds (distance) C4'-P energy: -16.410
bonds (distance) P-C4' energy: -18.455
flat angles C4'-P-C4' energy: -10.163
flat angles P-C4'-P energy: -12.211
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: 10
=====================================
Write number: 11
Temperature: 1.200000
Total energy: -103.730239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.730239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.730239 (E_RNA)
where:
Base-Base interactions energy: -44.651
where: short stacking energy: -32.420
Base-Backbone interact. energy: -0.129
local terms energy: -58.950612
where:
bonds (distance) C4'-P energy: -13.226
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -7.315
tors. eta vs tors. theta energy: -7.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 11
Temperature: 1.250000
Total energy: -96.954427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.954427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.954427 (E_RNA)
where:
Base-Base interactions energy: -32.905
where: short stacking energy: -27.920
Base-Backbone interact. energy: -0.234
local terms energy: -63.815724
where:
bonds (distance) C4'-P energy: -15.566
bonds (distance) P-C4' energy: -18.128
flat angles C4'-P-C4' energy: -14.031
flat angles P-C4'-P energy: -14.105
tors. eta vs tors. theta energy: -1.986
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: 9
=====================================
Write number: 11
Temperature: 1.300000
Total energy: -91.946370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.946370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.946370 (E_RNA)
where:
Base-Base interactions energy: -32.679
where: short stacking energy: -27.961
Base-Backbone interact. energy: -0.213
local terms energy: -59.053728
where:
bonds (distance) C4'-P energy: -16.924
bonds (distance) P-C4' energy: -15.928
flat angles C4'-P-C4' energy: -10.651
flat angles P-C4'-P energy: -10.991
tors. eta vs tors. theta energy: -4.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 11
Temperature: 1.350000
Total energy: -84.183152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.183152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.183152 (E_RNA)
where:
Base-Base interactions energy: -29.510
where: short stacking energy: -24.540
Base-Backbone interact. energy: -0.043
local terms energy: -54.629330
where:
bonds (distance) C4'-P energy: -15.210
bonds (distance) P-C4' energy: -19.188
flat angles C4'-P-C4' energy: -8.899
flat angles P-C4'-P energy: -10.335
tors. eta vs tors. theta energy: -0.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 12
Temperature: 0.900000
Total energy: -286.202048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.202048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.202048 (E_RNA)
where:
Base-Base interactions energy: -190.437
where: short stacking energy: -84.482
Base-Backbone interact. energy: -2.101
local terms energy: -93.664326
where:
bonds (distance) C4'-P energy: -17.820
bonds (distance) P-C4' energy: -18.609
flat angles C4'-P-C4' energy: -18.987
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -27.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 12
Temperature: 0.950000
Total energy: -233.604943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.604943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.604943 (E_RNA)
where:
Base-Base interactions energy: -149.002
where: short stacking energy: -73.340
Base-Backbone interact. energy: 0.687
local terms energy: -85.290108
where:
bonds (distance) C4'-P energy: -17.677
bonds (distance) P-C4' energy: -17.973
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -9.272
tors. eta vs tors. theta energy: -24.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 12
Temperature: 1.000000
Total energy: -228.017261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.017261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.017261 (E_RNA)
where:
Base-Base interactions energy: -150.880
where: short stacking energy: -67.454
Base-Backbone interact. energy: -0.504
local terms energy: -76.633634
where:
bonds (distance) C4'-P energy: -17.839
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -15.470
flat angles P-C4'-P energy: -11.215
tors. eta vs tors. theta energy: -14.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 12
Temperature: 1.050000
Total energy: -183.415653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.415653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.415653 (E_RNA)
where:
Base-Base interactions energy: -102.573
where: short stacking energy: -53.580
Base-Backbone interact. energy: -1.511
local terms energy: -79.331942
where:
bonds (distance) C4'-P energy: -18.857
bonds (distance) P-C4' energy: -20.736
flat angles C4'-P-C4' energy: -14.632
flat angles P-C4'-P energy: -10.950
tors. eta vs tors. theta energy: -14.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 12
Temperature: 1.100000
Total energy: -194.667155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.667155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.667155 (E_RNA)
where:
Base-Base interactions energy: -128.342
where: short stacking energy: -53.887
Base-Backbone interact. energy: 0.289
local terms energy: -66.614400
where:
bonds (distance) C4'-P energy: -15.525
bonds (distance) P-C4' energy: -12.220
flat angles C4'-P-C4' energy: -12.986
flat angles P-C4'-P energy: -11.503
tors. eta vs tors. theta energy: -14.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 12
Temperature: 1.150000
Total energy: -105.445237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.445237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.445237 (E_RNA)
where:
Base-Base interactions energy: -40.708
where: short stacking energy: -40.708
Base-Backbone interact. energy: -0.166
local terms energy: -64.571046
where:
bonds (distance) C4'-P energy: -16.461
bonds (distance) P-C4' energy: -18.705
flat angles C4'-P-C4' energy: -15.163
flat angles P-C4'-P energy: -5.042
tors. eta vs tors. theta energy: -9.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 12
Temperature: 1.200000
Total energy: -101.715084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.715084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.715084 (E_RNA)
where:
Base-Base interactions energy: -38.948
where: short stacking energy: -37.728
Base-Backbone interact. energy: -0.071
local terms energy: -62.696119
where:
bonds (distance) C4'-P energy: -17.622
bonds (distance) P-C4' energy: -17.272
flat angles C4'-P-C4' energy: -13.229
flat angles P-C4'-P energy: -6.446
tors. eta vs tors. theta energy: -8.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 12
Temperature: 1.250000
Total energy: -89.966458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.966458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.966458 (E_RNA)
where:
Base-Base interactions energy: -26.454
where: short stacking energy: -26.454
Base-Backbone interact. energy: -0.136
local terms energy: -63.377022
where:
bonds (distance) C4'-P energy: -20.312
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -17.753
flat angles P-C4'-P energy: -8.363
tors. eta vs tors. theta energy: 0.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 12
Temperature: 1.300000
Total energy: -104.358814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.358814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.358814 (E_RNA)
where:
Base-Base interactions energy: -41.970
where: short stacking energy: -35.622
Base-Backbone interact. energy: -0.227
local terms energy: -62.162193
where:
bonds (distance) C4'-P energy: -16.254
bonds (distance) P-C4' energy: -10.621
flat angles C4'-P-C4' energy: -13.869
flat angles P-C4'-P energy: -11.621
tors. eta vs tors. theta energy: -9.798
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: 9
=====================================
Write number: 12
Temperature: 1.350000
Total energy: -75.208257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.208257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.208257 (E_RNA)
where:
Base-Base interactions energy: -25.962
where: short stacking energy: -12.838
Base-Backbone interact. energy: -0.120
local terms energy: -49.126311
where:
bonds (distance) C4'-P energy: -16.780
bonds (distance) P-C4' energy: -13.512
flat angles C4'-P-C4' energy: -9.769
flat angles P-C4'-P energy: -6.031
tors. eta vs tors. theta energy: -3.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 13
Temperature: 0.900000
Total energy: -287.528856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.528856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.528856 (E_RNA)
where:
Base-Base interactions energy: -193.285
where: short stacking energy: -82.584
Base-Backbone interact. energy: -0.536
local terms energy: -93.707843
where:
bonds (distance) C4'-P energy: -17.943
bonds (distance) P-C4' energy: -19.849
flat angles C4'-P-C4' energy: -17.445
flat angles P-C4'-P energy: -13.150
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: 2, replica: 3
=====================================
Write number: 13
Temperature: 0.950000
Total energy: -235.350136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.350136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.350136 (E_RNA)
where:
Base-Base interactions energy: -155.836
where: short stacking energy: -75.008
Base-Backbone interact. energy: 1.496
local terms energy: -81.009699
where:
bonds (distance) C4'-P energy: -17.703
bonds (distance) P-C4' energy: -19.778
flat angles C4'-P-C4' energy: -13.024
flat angles P-C4'-P energy: -15.843
tors. eta vs tors. theta energy: -14.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 13
Temperature: 1.000000
Total energy: -220.062360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.062360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.062360 (E_RNA)
where:
Base-Base interactions energy: -131.078
where: short stacking energy: -65.127
Base-Backbone interact. energy: -0.511
local terms energy: -88.473439
where:
bonds (distance) C4'-P energy: -17.977
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -20.566
flat angles P-C4'-P energy: -7.889
tors. eta vs tors. theta energy: -23.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 13
Temperature: 1.050000
Total energy: -193.317684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.317684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.317684 (E_RNA)
where:
Base-Base interactions energy: -121.502
where: short stacking energy: -60.411
Base-Backbone interact. energy: -0.607
local terms energy: -71.208386
where:
bonds (distance) C4'-P energy: -18.469
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -9.587
flat angles P-C4'-P energy: -14.880
tors. eta vs tors. theta energy: -11.132
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: 4
=====================================
Write number: 13
Temperature: 1.100000
Total energy: -165.030252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.030252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.030252 (E_RNA)
where:
Base-Base interactions energy: -95.072
where: short stacking energy: -43.303
Base-Backbone interact. energy: -0.004
local terms energy: -69.954350
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -17.543
flat angles C4'-P-C4' energy: -17.645
flat angles P-C4'-P energy: -7.173
tors. eta vs tors. theta energy: -11.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 13
Temperature: 1.150000
Total energy: -109.733569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.733569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.733569 (E_RNA)
where:
Base-Base interactions energy: -45.315
where: short stacking energy: -36.862
Base-Backbone interact. energy: -0.235
local terms energy: -64.183839
where:
bonds (distance) C4'-P energy: -16.941
bonds (distance) P-C4' energy: -19.113
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -10.498
tors. eta vs tors. theta energy: -3.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 13
Temperature: 1.200000
Total energy: -100.023189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.023189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.023189 (E_RNA)
where:
Base-Base interactions energy: -39.680
where: short stacking energy: -38.186
Base-Backbone interact. energy: 0.034
local terms energy: -60.377040
where:
bonds (distance) C4'-P energy: -15.388
bonds (distance) P-C4' energy: -14.503
flat angles C4'-P-C4' energy: -16.307
flat angles P-C4'-P energy: -7.675
tors. eta vs tors. theta energy: -6.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 13
Temperature: 1.250000
Total energy: -94.709090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.709090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.709090 (E_RNA)
where:
Base-Base interactions energy: -40.156
where: short stacking energy: -24.505
Base-Backbone interact. energy: 0.550
local terms energy: -55.102669
where:
bonds (distance) C4'-P energy: -12.192
bonds (distance) P-C4' energy: -15.413
flat angles C4'-P-C4' energy: -10.885
flat angles P-C4'-P energy: -14.285
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: 9, replica: 10
=====================================
Write number: 13
Temperature: 1.300000
Total energy: -94.790606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.790606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.790606 (E_RNA)
where:
Base-Base interactions energy: -42.834
where: short stacking energy: -20.079
Base-Backbone interact. energy: -1.103
local terms energy: -50.853667
where:
bonds (distance) C4'-P energy: -16.126
bonds (distance) P-C4' energy: -19.555
flat angles C4'-P-C4' energy: -11.080
flat angles P-C4'-P energy: -8.867
tors. eta vs tors. theta energy: 4.774
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: 10, replica: 9
=====================================
Write number: 13
Temperature: 1.350000
Total energy: -82.632970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.632970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.632970 (E_RNA)
where:
Base-Base interactions energy: -44.332
where: short stacking energy: -22.404
Base-Backbone interact. energy: -0.290
local terms energy: -38.011449
where:
bonds (distance) C4'-P energy: -4.069
bonds (distance) P-C4' energy: -18.843
flat angles C4'-P-C4' energy: -4.812
flat angles P-C4'-P energy: -12.903
tors. eta vs tors. theta energy: 2.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 14
Temperature: 0.900000
Total energy: -289.223503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.223503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.223503 (E_RNA)
where:
Base-Base interactions energy: -200.134
where: short stacking energy: -82.058
Base-Backbone interact. energy: -0.124
local terms energy: -88.965473
where:
bonds (distance) C4'-P energy: -14.001
bonds (distance) P-C4' energy: -16.621
flat angles C4'-P-C4' energy: -19.878
flat angles P-C4'-P energy: -12.332
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: 3
=====================================
Write number: 14
Temperature: 0.950000
Total energy: -233.090965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.090965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.090965 (E_RNA)
where:
Base-Base interactions energy: -153.128
where: short stacking energy: -69.052
Base-Backbone interact. energy: 0.163
local terms energy: -80.126352
where:
bonds (distance) C4'-P energy: -16.461
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -19.360
flat angles P-C4'-P energy: -12.708
tors. eta vs tors. theta energy: -15.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 14
Temperature: 1.000000
Total energy: -185.883493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.883493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.883493 (E_RNA)
where:
Base-Base interactions energy: -109.906
where: short stacking energy: -52.689
Base-Backbone interact. energy: -1.079
local terms energy: -74.898627
where:
bonds (distance) C4'-P energy: -17.394
bonds (distance) P-C4' energy: -15.932
flat angles C4'-P-C4' energy: -20.622
flat angles P-C4'-P energy: -11.832
tors. eta vs tors. theta energy: -9.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 14
Temperature: 1.050000
Total energy: -210.899932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.899932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.899932 (E_RNA)
where:
Base-Base interactions energy: -140.169
where: short stacking energy: -52.995
Base-Backbone interact. energy: 0.258
local terms energy: -70.988858
where:
bonds (distance) C4'-P energy: -14.002
bonds (distance) P-C4' energy: -17.858
flat angles C4'-P-C4' energy: -16.183
flat angles P-C4'-P energy: -11.346
tors. eta vs tors. theta energy: -11.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 14
Temperature: 1.100000
Total energy: -194.990446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.990446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.990446 (E_RNA)
where:
Base-Base interactions energy: -122.316
where: short stacking energy: -55.478
Base-Backbone interact. energy: -0.345
local terms energy: -72.329406
where:
bonds (distance) C4'-P energy: -18.452
bonds (distance) P-C4' energy: -16.796
flat angles C4'-P-C4' energy: -16.551
flat angles P-C4'-P energy: -6.230
tors. eta vs tors. theta energy: -14.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 14
Temperature: 1.150000
Total energy: -135.097529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.097529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.097529 (E_RNA)
where:
Base-Base interactions energy: -78.313
where: short stacking energy: -42.694
Base-Backbone interact. energy: -0.107
local terms energy: -56.677214
where:
bonds (distance) C4'-P energy: -15.732
bonds (distance) P-C4' energy: -15.842
flat angles C4'-P-C4' energy: -13.877
flat angles P-C4'-P energy: -2.859
tors. eta vs tors. theta energy: -8.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 14
Temperature: 1.200000
Total energy: -106.174276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.174276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.174276 (E_RNA)
where:
Base-Base interactions energy: -42.348
where: short stacking energy: -41.642
Base-Backbone interact. energy: -0.645
local terms energy: -63.181253
where:
bonds (distance) C4'-P energy: -19.587
bonds (distance) P-C4' energy: -12.624
flat angles C4'-P-C4' energy: -14.386
flat angles P-C4'-P energy: -7.358
tors. eta vs tors. theta energy: -9.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 14
Temperature: 1.250000
Total energy: -112.329107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.329107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.329107 (E_RNA)
where:
Base-Base interactions energy: -48.855
where: short stacking energy: -32.156
Base-Backbone interact. energy: -0.117
local terms energy: -63.357221
where:
bonds (distance) C4'-P energy: -15.583
bonds (distance) P-C4' energy: -17.666
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -10.383
tors. eta vs tors. theta energy: -4.379
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: 9
=====================================
Write number: 14
Temperature: 1.300000
Total energy: -104.055391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.055391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.055391 (E_RNA)
where:
Base-Base interactions energy: -45.600
where: short stacking energy: -31.005
Base-Backbone interact. energy: -0.110
local terms energy: -58.345200
where:
bonds (distance) C4'-P energy: -17.600
bonds (distance) P-C4' energy: -15.249
flat angles C4'-P-C4' energy: -15.945
flat angles P-C4'-P energy: -7.259
tors. eta vs tors. theta energy: -2.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 14
Temperature: 1.350000
Total energy: -89.725340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.725340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.725340 (E_RNA)
where:
Base-Base interactions energy: -42.523
where: short stacking energy: -32.295
Base-Backbone interact. energy: -2.102
local terms energy: -45.100026
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -16.213
flat angles C4'-P-C4' energy: -12.073
flat angles P-C4'-P energy: -5.542
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: 15
Temperature: 0.900000
Total energy: -285.953666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.953666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.953666 (E_RNA)
where:
Base-Base interactions energy: -197.934
where: short stacking energy: -83.807
Base-Backbone interact. energy: -0.277
local terms energy: -87.743195
where:
bonds (distance) C4'-P energy: -15.406
bonds (distance) P-C4' energy: -17.342
flat angles C4'-P-C4' energy: -15.961
flat angles P-C4'-P energy: -11.656
tors. eta vs tors. theta energy: -27.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 15
Temperature: 0.950000
Total energy: -223.700742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.700742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.700742 (E_RNA)
where:
Base-Base interactions energy: -141.663
where: short stacking energy: -67.414
Base-Backbone interact. energy: -0.016
local terms energy: -82.021214
where:
bonds (distance) C4'-P energy: -18.498
bonds (distance) P-C4' energy: -19.906
flat angles C4'-P-C4' energy: -13.876
flat angles P-C4'-P energy: -14.443
tors. eta vs tors. theta energy: -15.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 15
Temperature: 1.000000
Total energy: -206.118029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.118029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.118029 (E_RNA)
where:
Base-Base interactions energy: -127.121
where: short stacking energy: -59.006
Base-Backbone interact. energy: -0.409
local terms energy: -78.587415
where:
bonds (distance) C4'-P energy: -17.231
bonds (distance) P-C4' energy: -17.113
flat angles C4'-P-C4' energy: -19.011
flat angles P-C4'-P energy: -13.150
tors. eta vs tors. theta energy: -12.083
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: 4
=====================================
Write number: 15
Temperature: 1.050000
Total energy: -223.493402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.493402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.493402 (E_RNA)
where:
Base-Base interactions energy: -138.543
where: short stacking energy: -65.818
Base-Backbone interact. energy: -0.602
local terms energy: -84.347884
where:
bonds (distance) C4'-P energy: -16.532
bonds (distance) P-C4' energy: -20.005
flat angles C4'-P-C4' energy: -17.497
flat angles P-C4'-P energy: -13.609
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: 5, replica: 7
=====================================
Write number: 15
Temperature: 1.100000
Total energy: -188.926782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.926782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.926782 (E_RNA)
where:
Base-Base interactions energy: -122.526
where: short stacking energy: -51.065
Base-Backbone interact. energy: -0.534
local terms energy: -65.866845
where:
bonds (distance) C4'-P energy: -13.276
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -4.780
tors. eta vs tors. theta energy: -15.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 15
Temperature: 1.150000
Total energy: -135.592603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.592603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.592603 (E_RNA)
where:
Base-Base interactions energy: -70.656
where: short stacking energy: -40.635
Base-Backbone interact. energy: -0.608
local terms energy: -64.328117
where:
bonds (distance) C4'-P energy: -16.337
bonds (distance) P-C4' energy: -12.282
flat angles C4'-P-C4' energy: -17.065
flat angles P-C4'-P energy: -11.059
tors. eta vs tors. theta energy: -7.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 15
Temperature: 1.200000
Total energy: -109.021283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.021283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.021283 (E_RNA)
where:
Base-Base interactions energy: -47.522
where: short stacking energy: -28.147
Base-Backbone interact. energy: -0.182
local terms energy: -61.316887
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -12.695
flat angles P-C4'-P energy: -13.750
tors. eta vs tors. theta energy: -5.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 15
Temperature: 1.250000
Total energy: -109.117867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.117867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.117867 (E_RNA)
where:
Base-Base interactions energy: -53.197
where: short stacking energy: -31.296
Base-Backbone interact. energy: -0.165
local terms energy: -55.756140
where:
bonds (distance) C4'-P energy: -15.597
bonds (distance) P-C4' energy: -14.667
flat angles C4'-P-C4' energy: -11.951
flat angles P-C4'-P energy: -7.540
tors. eta vs tors. theta energy: -6.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 15
Temperature: 1.300000
Total energy: -82.153245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.153245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.153245 (E_RNA)
where:
Base-Base interactions energy: -18.449
where: short stacking energy: -17.746
Base-Backbone interact. energy: -0.250
local terms energy: -63.454279
where:
bonds (distance) C4'-P energy: -15.261
bonds (distance) P-C4' energy: -18.353
flat angles C4'-P-C4' energy: -16.209
flat angles P-C4'-P energy: -8.656
tors. eta vs tors. theta energy: -4.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 10
=====================================
Write number: 15
Temperature: 1.350000
Total energy: -90.609718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.609718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.609718 (E_RNA)
where:
Base-Base interactions energy: -44.889
where: short stacking energy: -31.304
Base-Backbone interact. energy: -0.099
local terms energy: -45.622150
where:
bonds (distance) C4'-P energy: -12.748
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -15.995
flat angles P-C4'-P energy: -2.484
tors. eta vs tors. theta energy: -1.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 16
Temperature: 0.900000
Total energy: -288.803442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.803442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.803442 (E_RNA)
where:
Base-Base interactions energy: -197.032
where: short stacking energy: -83.401
Base-Backbone interact. energy: -1.574
local terms energy: -90.197434
where:
bonds (distance) C4'-P energy: -16.695
bonds (distance) P-C4' energy: -19.157
flat angles C4'-P-C4' energy: -16.971
flat angles P-C4'-P energy: -14.066
tors. eta vs tors. theta energy: -23.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 16
Temperature: 0.950000
Total energy: -235.054609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.054609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.054609 (E_RNA)
where:
Base-Base interactions energy: -158.503
where: short stacking energy: -69.407
Base-Backbone interact. energy: -0.402
local terms energy: -76.149920
where:
bonds (distance) C4'-P energy: -13.547
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -14.201
flat angles P-C4'-P energy: -7.887
tors. eta vs tors. theta energy: -22.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 16
Temperature: 1.000000
Total energy: -200.558483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.558483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.558483 (E_RNA)
where:
Base-Base interactions energy: -125.422
where: short stacking energy: -56.655
Base-Backbone interact. energy: -0.083
local terms energy: -75.053809
where:
bonds (distance) C4'-P energy: -13.017
bonds (distance) P-C4' energy: -19.886
flat angles C4'-P-C4' energy: -19.907
flat angles P-C4'-P energy: -11.388
tors. eta vs tors. theta energy: -10.855
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: 4
=====================================
Write number: 16
Temperature: 1.050000
Total energy: -211.164672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.164672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.164672 (E_RNA)
where:
Base-Base interactions energy: -140.764
where: short stacking energy: -65.661
Base-Backbone interact. energy: -0.234
local terms energy: -70.166526
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -18.533
flat angles C4'-P-C4' energy: -13.547
flat angles P-C4'-P energy: -6.399
tors. eta vs tors. theta energy: -17.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 16
Temperature: 1.100000
Total energy: -200.282664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.282664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.282664 (E_RNA)
where:
Base-Base interactions energy: -116.791
where: short stacking energy: -49.087
Base-Backbone interact. energy: -0.090
local terms energy: -83.401461
where:
bonds (distance) C4'-P energy: -21.429
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -18.048
flat angles P-C4'-P energy: -8.206
tors. eta vs tors. theta energy: -17.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 16
Temperature: 1.150000
Total energy: -133.567504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.567504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.567504 (E_RNA)
where:
Base-Base interactions energy: -76.712
where: short stacking energy: -46.183
Base-Backbone interact. energy: -0.049
local terms energy: -56.806518
where:
bonds (distance) C4'-P energy: -15.326
bonds (distance) P-C4' energy: -14.928
flat angles C4'-P-C4' energy: -14.264
flat angles P-C4'-P energy: -6.540
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: 7, replica: 2
=====================================
Write number: 16
Temperature: 1.200000
Total energy: -99.975670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.975670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.975670 (E_RNA)
where:
Base-Base interactions energy: -37.009
where: short stacking energy: -36.212
Base-Backbone interact. energy: -0.252
local terms energy: -62.714457
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -17.446
flat angles C4'-P-C4' energy: -14.186
flat angles P-C4'-P energy: -12.129
tors. eta vs tors. theta energy: -5.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 16
Temperature: 1.250000
Total energy: -102.562920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.562920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.562920 (E_RNA)
where:
Base-Base interactions energy: -41.366
where: short stacking energy: -40.268
Base-Backbone interact. energy: -0.393
local terms energy: -60.804028
where:
bonds (distance) C4'-P energy: -16.453
bonds (distance) P-C4' energy: -15.022
flat angles C4'-P-C4' energy: -15.347
flat angles P-C4'-P energy: -5.395
tors. eta vs tors. theta energy: -8.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 10
=====================================
Write number: 16
Temperature: 1.300000
Total energy: -91.450083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.450083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.450083 (E_RNA)
where:
Base-Base interactions energy: -45.714
where: short stacking energy: -28.361
Base-Backbone interact. energy: 0.963
local terms energy: -46.699141
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -17.587
flat angles C4'-P-C4' energy: -8.513
flat angles P-C4'-P energy: -7.963
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: 9
=====================================
Write number: 16
Temperature: 1.350000
Total energy: -97.180261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.180261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.180261 (E_RNA)
where:
Base-Base interactions energy: -49.369
where: short stacking energy: -32.272
Base-Backbone interact. energy: -0.146
local terms energy: -47.665389
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -13.593
flat angles C4'-P-C4' energy: -11.389
flat angles P-C4'-P energy: -4.278
tors. eta vs tors. theta energy: -1.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 17
Temperature: 0.900000
Total energy: -287.084101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.084101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.084101 (E_RNA)
where:
Base-Base interactions energy: -186.700
where: short stacking energy: -78.287
Base-Backbone interact. energy: -1.196
local terms energy: -99.189003
where:
bonds (distance) C4'-P energy: -16.228
bonds (distance) P-C4' energy: -19.535
flat angles C4'-P-C4' energy: -22.249
flat angles P-C4'-P energy: -15.584
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: 2, replica: 3
=====================================
Write number: 17
Temperature: 0.950000
Total energy: -226.403721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.403721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.403721 (E_RNA)
where:
Base-Base interactions energy: -145.155
where: short stacking energy: -55.201
Base-Backbone interact. energy: -0.227
local terms energy: -81.021004
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -17.064
flat angles P-C4'-P energy: -15.035
tors. eta vs tors. theta energy: -17.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 17
Temperature: 1.000000
Total energy: -210.703398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.703398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.703398 (E_RNA)
where:
Base-Base interactions energy: -133.996
where: short stacking energy: -62.363
Base-Backbone interact. energy: -0.092
local terms energy: -76.615559
where:
bonds (distance) C4'-P energy: -15.187
bonds (distance) P-C4' energy: -17.435
flat angles C4'-P-C4' energy: -18.255
flat angles P-C4'-P energy: -14.024
tors. eta vs tors. theta energy: -11.713
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: 4
=====================================
Write number: 17
Temperature: 1.050000
Total energy: -208.504192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.504192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.504192 (E_RNA)
where:
Base-Base interactions energy: -128.787
where: short stacking energy: -54.673
Base-Backbone interact. energy: -0.117
local terms energy: -79.599814
where:
bonds (distance) C4'-P energy: -19.903
bonds (distance) P-C4' energy: -14.893
flat angles C4'-P-C4' energy: -18.294
flat angles P-C4'-P energy: -8.812
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: 17
Temperature: 1.100000
Total energy: -185.144739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.144739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.144739 (E_RNA)
where:
Base-Base interactions energy: -119.345
where: short stacking energy: -66.045
Base-Backbone interact. energy: -0.559
local terms energy: -65.240623
where:
bonds (distance) C4'-P energy: -9.407
bonds (distance) P-C4' energy: -15.518
flat angles C4'-P-C4' energy: -18.234
flat angles P-C4'-P energy: -6.333
tors. eta vs tors. theta energy: -15.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 17
Temperature: 1.150000
Total energy: -108.301206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.301206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.301206 (E_RNA)
where:
Base-Base interactions energy: -50.675
where: short stacking energy: -33.145
Base-Backbone interact. energy: -0.227
local terms energy: -57.399418
where:
bonds (distance) C4'-P energy: -17.135
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -7.044
flat angles P-C4'-P energy: -12.972
tors. eta vs tors. theta energy: -3.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 17
Temperature: 1.200000
Total energy: -114.551005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.551005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.551005 (E_RNA)
where:
Base-Base interactions energy: -55.333
where: short stacking energy: -40.605
Base-Backbone interact. energy: -0.302
local terms energy: -58.916399
where:
bonds (distance) C4'-P energy: -15.394
bonds (distance) P-C4' energy: -13.623
flat angles C4'-P-C4' energy: -13.400
flat angles P-C4'-P energy: -10.385
tors. eta vs tors. theta energy: -6.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 10
=====================================
Write number: 17
Temperature: 1.250000
Total energy: -98.006841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.006841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.006841 (E_RNA)
where:
Base-Base interactions energy: -41.409
where: short stacking energy: -25.975
Base-Backbone interact. energy: 0.015
local terms energy: -56.612348
where:
bonds (distance) C4'-P energy: -16.088
bonds (distance) P-C4' energy: -18.901
flat angles C4'-P-C4' energy: -11.553
flat angles P-C4'-P energy: -9.495
tors. eta vs tors. theta energy: -0.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 17
Temperature: 1.300000
Total energy: -87.790651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.790651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.790651 (E_RNA)
where:
Base-Base interactions energy: -31.188
where: short stacking energy: -28.241
Base-Backbone interact. energy: 0.122
local terms energy: -56.724797
where:
bonds (distance) C4'-P energy: -17.568
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -11.211
flat angles P-C4'-P energy: -6.204
tors. eta vs tors. theta energy: -4.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 17
Temperature: 1.350000
Total energy: -101.628655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.628655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.628655 (E_RNA)
where:
Base-Base interactions energy: -37.849
where: short stacking energy: -29.528
Base-Backbone interact. energy: -0.162
local terms energy: -63.616900
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -18.001
flat angles C4'-P-C4' energy: -16.266
flat angles P-C4'-P energy: -7.515
tors. eta vs tors. theta energy: -4.756
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: 5
=====================================
Write number: 18
Temperature: 0.900000
Total energy: -288.623742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.623742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.623742 (E_RNA)
where:
Base-Base interactions energy: -192.261
where: short stacking energy: -76.606
Base-Backbone interact. energy: -1.595
local terms energy: -94.767393
where:
bonds (distance) C4'-P energy: -20.423
bonds (distance) P-C4' energy: -19.942
flat angles C4'-P-C4' energy: -14.855
flat angles P-C4'-P energy: -15.709
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: 2, replica: 3
=====================================
Write number: 18
Temperature: 0.950000
Total energy: -233.227608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.227608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.227608 (E_RNA)
where:
Base-Base interactions energy: -150.250
where: short stacking energy: -63.447
Base-Backbone interact. energy: -0.089
local terms energy: -82.888832
where:
bonds (distance) C4'-P energy: -15.909
bonds (distance) P-C4' energy: -20.066
flat angles C4'-P-C4' energy: -18.574
flat angles P-C4'-P energy: -13.221
tors. eta vs tors. theta energy: -15.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 18
Temperature: 1.000000
Total energy: -214.096049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.096049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.096049 (E_RNA)
where:
Base-Base interactions energy: -134.614
where: short stacking energy: -63.951
Base-Backbone interact. energy: -0.052
local terms energy: -79.430436
where:
bonds (distance) C4'-P energy: -13.425
bonds (distance) P-C4' energy: -16.040
flat angles C4'-P-C4' energy: -21.887
flat angles P-C4'-P energy: -15.232
tors. eta vs tors. theta energy: -12.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 18
Temperature: 1.050000
Total energy: -202.938994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.938994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.938994 (E_RNA)
where:
Base-Base interactions energy: -132.523
where: short stacking energy: -55.692
Base-Backbone interact. energy: -0.008
local terms energy: -70.408102
where:
bonds (distance) C4'-P energy: -11.974
bonds (distance) P-C4' energy: -18.795
flat angles C4'-P-C4' energy: -17.696
flat angles P-C4'-P energy: -8.705
tors. eta vs tors. theta energy: -13.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 18
Temperature: 1.100000
Total energy: -170.076834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.076834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.076834 (E_RNA)
where:
Base-Base interactions energy: -101.674
where: short stacking energy: -51.821
Base-Backbone interact. energy: -0.175
local terms energy: -68.227545
where:
bonds (distance) C4'-P energy: -18.780
bonds (distance) P-C4' energy: -11.669
flat angles C4'-P-C4' energy: -16.063
flat angles P-C4'-P energy: -7.349
tors. eta vs tors. theta energy: -14.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 18
Temperature: 1.150000
Total energy: -133.671785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.671785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.671785 (E_RNA)
where:
Base-Base interactions energy: -64.622
where: short stacking energy: -41.844
Base-Backbone interact. energy: -0.029
local terms energy: -69.020376
where:
bonds (distance) C4'-P energy: -11.854
bonds (distance) P-C4' energy: -18.984
flat angles C4'-P-C4' energy: -16.220
flat angles P-C4'-P energy: -12.497
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: 7, replica: 10
=====================================
Write number: 18
Temperature: 1.200000
Total energy: -140.782588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.782588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.782588 (E_RNA)
where:
Base-Base interactions energy: -73.824
where: short stacking energy: -31.288
Base-Backbone interact. energy: -0.337
local terms energy: -66.621183
where:
bonds (distance) C4'-P energy: -14.664
bonds (distance) P-C4' energy: -21.099
flat angles C4'-P-C4' energy: -17.237
flat angles P-C4'-P energy: -10.400
tors. eta vs tors. theta energy: -3.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 18
Temperature: 1.250000
Total energy: -98.483948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.483948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.483948 (E_RNA)
where:
Base-Base interactions energy: -35.405
where: short stacking energy: -30.972
Base-Backbone interact. energy: 0.489
local terms energy: -63.568045
where:
bonds (distance) C4'-P energy: -16.497
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -17.486
flat angles P-C4'-P energy: -9.801
tors. eta vs tors. theta energy: -5.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 18
Temperature: 1.300000
Total energy: -96.515179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.515179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.515179 (E_RNA)
where:
Base-Base interactions energy: -36.422
where: short stacking energy: -36.422
Base-Backbone interact. energy: -0.242
local terms energy: -59.851338
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -14.868
flat angles C4'-P-C4' energy: -15.985
flat angles P-C4'-P energy: -9.178
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: 10, replica: 8
=====================================
Write number: 18
Temperature: 1.350000
Total energy: -81.678007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.678007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.678007 (E_RNA)
where:
Base-Base interactions energy: -32.138
where: short stacking energy: -29.082
Base-Backbone interact. energy: -0.806
local terms energy: -48.734387
where:
bonds (distance) C4'-P energy: -13.556
bonds (distance) P-C4' energy: -16.161
flat angles C4'-P-C4' energy: -12.022
flat angles P-C4'-P energy: -7.565
tors. eta vs tors. theta energy: 0.568
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: 5
=====================================
Write number: 19
Temperature: 0.900000
Total energy: -281.048158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.048158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.048158 (E_RNA)
where:
Base-Base interactions energy: -188.808
where: short stacking energy: -82.633
Base-Backbone interact. energy: -0.773
local terms energy: -91.467720
where:
bonds (distance) C4'-P energy: -14.755
bonds (distance) P-C4' energy: -18.090
flat angles C4'-P-C4' energy: -16.177
flat angles P-C4'-P energy: -16.894
tors. eta vs tors. theta energy: -25.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 19
Temperature: 0.950000
Total energy: -220.132370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.132370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.132370 (E_RNA)
where:
Base-Base interactions energy: -139.598
where: short stacking energy: -67.715
Base-Backbone interact. energy: -0.021
local terms energy: -80.513240
where:
bonds (distance) C4'-P energy: -18.104
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -17.890
flat angles P-C4'-P energy: -14.110
tors. eta vs tors. theta energy: -14.881
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: 3
=====================================
Write number: 19
Temperature: 1.000000
Total energy: -218.921924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.921924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.921924 (E_RNA)
where:
Base-Base interactions energy: -135.899
where: short stacking energy: -59.817
Base-Backbone interact. energy: -0.219
local terms energy: -82.803649
where:
bonds (distance) C4'-P energy: -21.417
bonds (distance) P-C4' energy: -18.529
flat angles C4'-P-C4' energy: -15.832
flat angles P-C4'-P energy: -10.934
tors. eta vs tors. theta energy: -16.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 19
Temperature: 1.050000
Total energy: -209.215700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.215700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.215700 (E_RNA)
where:
Base-Base interactions energy: -132.028
where: short stacking energy: -56.236
Base-Backbone interact. energy: -0.716
local terms energy: -76.472485
where:
bonds (distance) C4'-P energy: -15.732
bonds (distance) P-C4' energy: -19.317
flat angles C4'-P-C4' energy: -18.796
flat angles P-C4'-P energy: -8.938
tors. eta vs tors. theta energy: -13.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 19
Temperature: 1.100000
Total energy: -191.651097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.651097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.651097 (E_RNA)
where:
Base-Base interactions energy: -114.461
where: short stacking energy: -64.529
Base-Backbone interact. energy: -1.538
local terms energy: -75.652492
where:
bonds (distance) C4'-P energy: -12.048
bonds (distance) P-C4' energy: -18.195
flat angles C4'-P-C4' energy: -16.686
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: -19.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 19
Temperature: 1.150000
Total energy: -139.661028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.661028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.661028 (E_RNA)
where:
Base-Base interactions energy: -80.255
where: short stacking energy: -50.224
Base-Backbone interact. energy: -0.130
local terms energy: -59.276964
where:
bonds (distance) C4'-P energy: -12.630
bonds (distance) P-C4' energy: -16.265
flat angles C4'-P-C4' energy: -13.312
flat angles P-C4'-P energy: -7.887
tors. eta vs tors. theta energy: -9.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 19
Temperature: 1.200000
Total energy: -113.470327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.470327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.470327 (E_RNA)
where:
Base-Base interactions energy: -48.694
where: short stacking energy: -39.762
Base-Backbone interact. energy: -0.349
local terms energy: -64.427908
where:
bonds (distance) C4'-P energy: -13.724
bonds (distance) P-C4' energy: -17.321
flat angles C4'-P-C4' energy: -14.286
flat angles P-C4'-P energy: -5.400
tors. eta vs tors. theta energy: -13.696
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: 8, replica: 9
=====================================
Write number: 19
Temperature: 1.250000
Total energy: -99.433910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.433910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.433910 (E_RNA)
where:
Base-Base interactions energy: -51.089
where: short stacking energy: -33.524
Base-Backbone interact. energy: -1.131
local terms energy: -47.213329
where:
bonds (distance) C4'-P energy: -15.307
bonds (distance) P-C4' energy: -7.374
flat angles C4'-P-C4' energy: -13.001
flat angles P-C4'-P energy: -11.866
tors. eta vs tors. theta energy: 0.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 19
Temperature: 1.300000
Total energy: -96.132454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.132454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.132454 (E_RNA)
where:
Base-Base interactions energy: -41.440
where: short stacking energy: -38.158
Base-Backbone interact. energy: 3.127
local terms energy: -57.818830
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -18.396
flat angles C4'-P-C4' energy: -14.808
flat angles P-C4'-P energy: -5.377
tors. eta vs tors. theta energy: -3.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 19
Temperature: 1.350000
Total energy: -89.124574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.124574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.124574 (E_RNA)
where:
Base-Base interactions energy: -27.523
where: short stacking energy: -25.237
Base-Backbone interact. energy: -0.272
local terms energy: -61.329530
where:
bonds (distance) C4'-P energy: -14.977
bonds (distance) P-C4' energy: -17.220
flat angles C4'-P-C4' energy: -17.210
flat angles P-C4'-P energy: -7.159
tors. eta vs tors. theta energy: -4.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 20
Temperature: 0.900000
Total energy: -288.310295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.310295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.310295 (E_RNA)
where:
Base-Base interactions energy: -193.512
where: short stacking energy: -79.058
Base-Backbone interact. energy: -1.580
local terms energy: -93.217557
where:
bonds (distance) C4'-P energy: -19.578
bonds (distance) P-C4' energy: -18.299
flat angles C4'-P-C4' energy: -18.807
flat angles P-C4'-P energy: -10.337
tors. eta vs tors. theta energy: -26.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 1
=====================================
Write number: 20
Temperature: 0.950000
Total energy: -226.056873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.056873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.056873 (E_RNA)
where:
Base-Base interactions energy: -141.038
where: short stacking energy: -68.501
Base-Backbone interact. energy: -0.034
local terms energy: -84.985147
where:
bonds (distance) C4'-P energy: -20.601
bonds (distance) P-C4' energy: -19.462
flat angles C4'-P-C4' energy: -16.874
flat angles P-C4'-P energy: -15.120
tors. eta vs tors. theta energy: -12.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 20
Temperature: 1.000000
Total energy: -219.040845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.040845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.040845 (E_RNA)
where:
Base-Base interactions energy: -138.478
where: short stacking energy: -62.899
Base-Backbone interact. energy: 1.442
local terms energy: -82.004522
where:
bonds (distance) C4'-P energy: -19.802
bonds (distance) P-C4' energy: -12.877
flat angles C4'-P-C4' energy: -19.267
flat angles P-C4'-P energy: -13.488
tors. eta vs tors. theta energy: -16.570
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: 3
=====================================
Write number: 20
Temperature: 1.050000
Total energy: -222.384252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.384252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.384252 (E_RNA)
where:
Base-Base interactions energy: -148.056
where: short stacking energy: -60.141
Base-Backbone interact. energy: -0.050
local terms energy: -74.277956
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -18.629
flat angles C4'-P-C4' energy: -13.676
flat angles P-C4'-P energy: -12.340
tors. eta vs tors. theta energy: -16.612
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: 2
=====================================
Write number: 20
Temperature: 1.100000
Total energy: -208.731883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.731883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.731883 (E_RNA)
where:
Base-Base interactions energy: -134.029
where: short stacking energy: -61.695
Base-Backbone interact. energy: -0.273
local terms energy: -74.429024
where:
bonds (distance) C4'-P energy: -14.450
bonds (distance) P-C4' energy: -13.386
flat angles C4'-P-C4' energy: -18.613
flat angles P-C4'-P energy: -9.665
tors. eta vs tors. theta energy: -18.315
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: 10
=====================================
Write number: 20
Temperature: 1.150000
Total energy: -178.012077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.012077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.012077 (E_RNA)
where:
Base-Base interactions energy: -109.828
where: short stacking energy: -52.734
Base-Backbone interact. energy: -0.313
local terms energy: -67.870649
where:
bonds (distance) C4'-P energy: -13.058
bonds (distance) P-C4' energy: -17.074
flat angles C4'-P-C4' energy: -13.846
flat angles P-C4'-P energy: -8.852
tors. eta vs tors. theta energy: -15.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 20
Temperature: 1.200000
Total energy: -117.847357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.847357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.847357 (E_RNA)
where:
Base-Base interactions energy: -58.535
where: short stacking energy: -51.350
Base-Backbone interact. energy: -0.185
local terms energy: -59.126583
where:
bonds (distance) C4'-P energy: -13.814
bonds (distance) P-C4' energy: -21.289
flat angles C4'-P-C4' energy: -12.230
flat angles P-C4'-P energy: -8.166
tors. eta vs tors. theta energy: -3.627
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: 8, replica: 7
=====================================
Write number: 20
Temperature: 1.250000
Total energy: -118.039354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.039354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.039354 (E_RNA)
where:
Base-Base interactions energy: -48.130
where: short stacking energy: -46.196
Base-Backbone interact. energy: -0.061
local terms energy: -69.848187
where:
bonds (distance) C4'-P energy: -9.028
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -17.876
flat angles P-C4'-P energy: -9.952
tors. eta vs tors. theta energy: -15.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 20
Temperature: 1.300000
Total energy: -85.670183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.670183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.670183 (E_RNA)
where:
Base-Base interactions energy: -24.868
where: short stacking energy: -24.868
Base-Backbone interact. energy: -0.158
local terms energy: -60.644505
where:
bonds (distance) C4'-P energy: -17.862
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -19.367
flat angles P-C4'-P energy: -7.539
tors. eta vs tors. theta energy: 0.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 20
Temperature: 1.350000
Total energy: -90.479070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.479070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.479070 (E_RNA)
where:
Base-Base interactions energy: -39.874
where: short stacking energy: -33.996
Base-Backbone interact. energy: 0.165
local terms energy: -50.770724
where:
bonds (distance) C4'-P energy: -14.089
bonds (distance) P-C4' energy: -13.912
flat angles C4'-P-C4' energy: -15.404
flat angles P-C4'-P energy: -5.018
tors. eta vs tors. theta energy: -2.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 21
Temperature: 0.900000
Total energy: -288.668030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.668030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.668030 (E_RNA)
where:
Base-Base interactions energy: -187.694
where: short stacking energy: -81.689
Base-Backbone interact. energy: -0.004
local terms energy: -100.969505
where:
bonds (distance) C4'-P energy: -21.176
bonds (distance) P-C4' energy: -16.990
flat angles C4'-P-C4' energy: -19.602
flat angles P-C4'-P energy: -16.722
tors. eta vs tors. theta energy: -26.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 21
Temperature: 0.950000
Total energy: -227.062755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.062755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.062755 (E_RNA)
where:
Base-Base interactions energy: -137.159
where: short stacking energy: -61.435
Base-Backbone interact. energy: -0.468
local terms energy: -89.435996
where:
bonds (distance) C4'-P energy: -17.734
bonds (distance) P-C4' energy: -18.249
flat angles C4'-P-C4' energy: -17.896
flat angles P-C4'-P energy: -15.325
tors. eta vs tors. theta energy: -20.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 21
Temperature: 1.000000
Total energy: -204.664616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.664616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.664616 (E_RNA)
where:
Base-Base interactions energy: -127.084
where: short stacking energy: -57.961
Base-Backbone interact. energy: -0.042
local terms energy: -77.538274
where:
bonds (distance) C4'-P energy: -16.610
bonds (distance) P-C4' energy: -20.907
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -11.611
tors. eta vs tors. theta energy: -13.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 21
Temperature: 1.050000
Total energy: -205.615204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.615204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.615204 (E_RNA)
where:
Base-Base interactions energy: -133.173
where: short stacking energy: -63.095
Base-Backbone interact. energy: -0.705
local terms energy: -71.737174
where:
bonds (distance) C4'-P energy: -16.477
bonds (distance) P-C4' energy: -15.364
flat angles C4'-P-C4' energy: -15.919
flat angles P-C4'-P energy: -5.768
tors. eta vs tors. theta energy: -18.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 21
Temperature: 1.100000
Total energy: -213.699516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.699516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.699516 (E_RNA)
where:
Base-Base interactions energy: -138.655
where: short stacking energy: -62.672
Base-Backbone interact. energy: 0.593
local terms energy: -75.637099
where:
bonds (distance) C4'-P energy: -14.065
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -17.191
flat angles P-C4'-P energy: -13.120
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: 6, replica: 10
=====================================
Write number: 21
Temperature: 1.150000
Total energy: -210.019141 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.019141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.019141 (E_RNA)
where:
Base-Base interactions energy: -140.210
where: short stacking energy: -60.390
Base-Backbone interact. energy: -0.800
local terms energy: -69.009451
where:
bonds (distance) C4'-P energy: -14.221
bonds (distance) P-C4' energy: -19.252
flat angles C4'-P-C4' energy: -11.441
flat angles P-C4'-P energy: -7.012
tors. eta vs tors. theta energy: -17.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 21
Temperature: 1.200000
Total energy: -102.242592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.242592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.242592 (E_RNA)
where:
Base-Base interactions energy: -40.832
where: short stacking energy: -27.445
Base-Backbone interact. energy: -0.309
local terms energy: -61.101745
where:
bonds (distance) C4'-P energy: -16.113
bonds (distance) P-C4' energy: -21.557
flat angles C4'-P-C4' energy: -18.406
flat angles P-C4'-P energy: -4.357
tors. eta vs tors. theta energy: -0.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 21
Temperature: 1.250000
Total energy: -91.914874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.914874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.914874 (E_RNA)
where:
Base-Base interactions energy: -36.115
where: short stacking energy: -26.249
Base-Backbone interact. energy: 0.429
local terms energy: -56.228488
where:
bonds (distance) C4'-P energy: -16.744
bonds (distance) P-C4' energy: -18.587
flat angles C4'-P-C4' energy: -12.311
flat angles P-C4'-P energy: -7.641
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: 7
=====================================
Write number: 21
Temperature: 1.300000
Total energy: -89.218737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.218737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.218737 (E_RNA)
where:
Base-Base interactions energy: -31.755
where: short stacking energy: -31.755
Base-Backbone interact. energy: -0.446
local terms energy: -57.017511
where:
bonds (distance) C4'-P energy: -12.955
bonds (distance) P-C4' energy: -17.529
flat angles C4'-P-C4' energy: -15.152
flat angles P-C4'-P energy: -11.653
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: 10, replica: 6
=====================================
Write number: 21
Temperature: 1.350000
Total energy: -111.910531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.910531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.910531 (E_RNA)
where:
Base-Base interactions energy: -51.054
where: short stacking energy: -41.739
Base-Backbone interact. energy: -0.933
local terms energy: -59.924162
where:
bonds (distance) C4'-P energy: -10.647
bonds (distance) P-C4' energy: -19.175
flat angles C4'-P-C4' energy: -12.757
flat angles P-C4'-P energy: -10.540
tors. eta vs tors. theta energy: -6.805
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: 1, replica: 5
=====================================
Write number: 22
Temperature: 0.900000
Total energy: -284.910157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.910157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.910157 (E_RNA)
where:
Base-Base interactions energy: -194.017
where: short stacking energy: -82.322
Base-Backbone interact. energy: -0.033
local terms energy: -90.859936
where:
bonds (distance) C4'-P energy: -15.799
bonds (distance) P-C4' energy: -18.454
flat angles C4'-P-C4' energy: -19.338
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -25.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 22
Temperature: 0.950000
Total energy: -224.255947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -224.255947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -224.255947 (E_RNA)
where:
Base-Base interactions energy: -141.863
where: short stacking energy: -65.016
Base-Backbone interact. energy: -0.239
local terms energy: -82.154048
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -19.796
flat angles C4'-P-C4' energy: -17.977
flat angles P-C4'-P energy: -13.471
tors. eta vs tors. theta energy: -17.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 22
Temperature: 1.000000
Total energy: -217.347152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.347152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.347152 (E_RNA)
where:
Base-Base interactions energy: -134.074
where: short stacking energy: -50.432
Base-Backbone interact. energy: -0.628
local terms energy: -82.645168
where:
bonds (distance) C4'-P energy: -18.648
bonds (distance) P-C4' energy: -19.781
flat angles C4'-P-C4' energy: -14.241
flat angles P-C4'-P energy: -11.426
tors. eta vs tors. theta energy: -18.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 22
Temperature: 1.050000
Total energy: -205.324564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.324564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.324564 (E_RNA)
where:
Base-Base interactions energy: -130.816
where: short stacking energy: -58.333
Base-Backbone interact. energy: -0.496
local terms energy: -74.012548
where:
bonds (distance) C4'-P energy: -15.698
bonds (distance) P-C4' energy: -15.612
flat angles C4'-P-C4' energy: -15.389
flat angles P-C4'-P energy: -13.120
tors. eta vs tors. theta energy: -14.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 22
Temperature: 1.100000
Total energy: -250.490708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.490708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.490708 (E_RNA)
where:
Base-Base interactions energy: -176.680
where: short stacking energy: -71.188
Base-Backbone interact. energy: -0.035
local terms energy: -73.775769
where:
bonds (distance) C4'-P energy: -16.976
bonds (distance) P-C4' energy: -14.911
flat angles C4'-P-C4' energy: -13.854
flat angles P-C4'-P energy: -4.866
tors. eta vs tors. theta energy: -23.169
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: 3
=====================================
Write number: 22
Temperature: 1.150000
Total energy: -146.429114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.429114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.429114 (E_RNA)
where:
Base-Base interactions energy: -86.390
where: short stacking energy: -46.834
Base-Backbone interact. energy: -0.188
local terms energy: -59.851252
where:
bonds (distance) C4'-P energy: -16.961
bonds (distance) P-C4' energy: -10.614
flat angles C4'-P-C4' energy: -13.815
flat angles P-C4'-P energy: -8.082
tors. eta vs tors. theta energy: -10.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 22
Temperature: 1.200000
Total energy: -106.158681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.158681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.158681 (E_RNA)
where:
Base-Base interactions energy: -55.997
where: short stacking energy: -45.634
Base-Backbone interact. energy: -0.179
local terms energy: -49.982311
where:
bonds (distance) C4'-P energy: -11.240
bonds (distance) P-C4' energy: -10.524
flat angles C4'-P-C4' energy: -11.816
flat angles P-C4'-P energy: -9.117
tors. eta vs tors. theta energy: -7.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 22
Temperature: 1.250000
Total energy: -104.908478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.908478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.908478 (E_RNA)
where:
Base-Base interactions energy: -43.942
where: short stacking energy: -38.730
Base-Backbone interact. energy: -0.099
local terms energy: -60.867082
where:
bonds (distance) C4'-P energy: -13.960
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -16.801
flat angles P-C4'-P energy: -6.770
tors. eta vs tors. theta energy: -5.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 22
Temperature: 1.300000
Total energy: -87.533262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.533262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.533262 (E_RNA)
where:
Base-Base interactions energy: -40.190
where: short stacking energy: -23.937
Base-Backbone interact. energy: -1.156
local terms energy: -46.187641
where:
bonds (distance) C4'-P energy: -15.973
bonds (distance) P-C4' energy: -11.056
flat angles C4'-P-C4' energy: -15.720
flat angles P-C4'-P energy: -7.000
tors. eta vs tors. theta energy: 3.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 7
=====================================
Write number: 22
Temperature: 1.350000
Total energy: -82.331954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.331954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.331954 (E_RNA)
where:
Base-Base interactions energy: -35.926
where: short stacking energy: -26.646
Base-Backbone interact. energy: -0.220
local terms energy: -46.185186
where:
bonds (distance) C4'-P energy: -15.419
bonds (distance) P-C4' energy: -8.716
flat angles C4'-P-C4' energy: -10.878
flat angles P-C4'-P energy: -6.862
tors. eta vs tors. theta energy: -4.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 23
Temperature: 0.900000
Total energy: -285.634142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.634142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.634142 (E_RNA)
where:
Base-Base interactions energy: -190.418
where: short stacking energy: -74.940
Base-Backbone interact. energy: -0.223
local terms energy: -94.993167
where:
bonds (distance) C4'-P energy: -20.445
bonds (distance) P-C4' energy: -17.839
flat angles C4'-P-C4' energy: -17.583
flat angles P-C4'-P energy: -15.816
tors. eta vs tors. theta energy: -23.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 23
Temperature: 0.950000
Total energy: -231.384405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.384405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.384405 (E_RNA)
where:
Base-Base interactions energy: -149.367
where: short stacking energy: -65.145
Base-Backbone interact. energy: -0.416
local terms energy: -81.601832
where:
bonds (distance) C4'-P energy: -18.664
bonds (distance) P-C4' energy: -19.639
flat angles C4'-P-C4' energy: -17.997
flat angles P-C4'-P energy: -7.032
tors. eta vs tors. theta energy: -18.269
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: 3, replica: 2
=====================================
Write number: 23
Temperature: 1.000000
Total energy: -209.015468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.015468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.015468 (E_RNA)
where:
Base-Base interactions energy: -134.704
where: short stacking energy: -62.799
Base-Backbone interact. energy: 1.121
local terms energy: -75.432195
where:
bonds (distance) C4'-P energy: -11.733
bonds (distance) P-C4' energy: -21.339
flat angles C4'-P-C4' energy: -15.885
flat angles P-C4'-P energy: -13.340
tors. eta vs tors. theta energy: -13.135
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: 4, replica: 10
=====================================
Write number: 23
Temperature: 1.050000
Total energy: -270.623910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.623910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.623910 (E_RNA)
where:
Base-Base interactions energy: -189.102
where: short stacking energy: -76.285
Base-Backbone interact. energy: -0.160
local terms energy: -81.361439
where:
bonds (distance) C4'-P energy: -18.424
bonds (distance) P-C4' energy: -9.970
flat angles C4'-P-C4' energy: -21.095
flat angles P-C4'-P energy: -13.075
tors. eta vs tors. theta energy: -18.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 23
Temperature: 1.100000
Total energy: -196.819493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.819493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.819493 (E_RNA)
where:
Base-Base interactions energy: -124.644
where: short stacking energy: -52.753
Base-Backbone interact. energy: -1.329
local terms energy: -70.846922
where:
bonds (distance) C4'-P energy: -18.296
bonds (distance) P-C4' energy: -18.499
flat angles C4'-P-C4' energy: -5.478
flat angles P-C4'-P energy: -14.862
tors. eta vs tors. theta energy: -13.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 23
Temperature: 1.150000
Total energy: -140.327537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.327537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.327537 (E_RNA)
where:
Base-Base interactions energy: -87.587
where: short stacking energy: -47.242
Base-Backbone interact. energy: -0.245
local terms energy: -52.495694
where:
bonds (distance) C4'-P energy: -16.826
bonds (distance) P-C4' energy: -6.320
flat angles C4'-P-C4' energy: -17.185
flat angles P-C4'-P energy: -8.832
tors. eta vs tors. theta energy: -3.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 23
Temperature: 1.200000
Total energy: -104.092295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.092295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.092295 (E_RNA)
where:
Base-Base interactions energy: -37.951
where: short stacking energy: -37.200
Base-Backbone interact. energy: -0.278
local terms energy: -65.864048
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -20.049
flat angles C4'-P-C4' energy: -17.125
flat angles P-C4'-P energy: -5.551
tors. eta vs tors. theta energy: -9.911
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: 23
Temperature: 1.250000
Total energy: -91.126009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.126009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.126009 (E_RNA)
where:
Base-Base interactions energy: -32.332
where: short stacking energy: -23.114
Base-Backbone interact. energy: -0.731
local terms energy: -58.063173
where:
bonds (distance) C4'-P energy: -15.678
bonds (distance) P-C4' energy: -12.799
flat angles C4'-P-C4' energy: -17.410
flat angles P-C4'-P energy: -11.778
tors. eta vs tors. theta energy: -0.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 23
Temperature: 1.300000
Total energy: -92.551087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.551087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.551087 (E_RNA)
where:
Base-Base interactions energy: -44.220
where: short stacking energy: -28.478
Base-Backbone interact. energy: 0.769
local terms energy: -49.099568
where:
bonds (distance) C4'-P energy: -9.597
bonds (distance) P-C4' energy: -13.446
flat angles C4'-P-C4' energy: -12.460
flat angles P-C4'-P energy: -11.673
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: 10, replica: 7
=====================================
Write number: 23
Temperature: 1.350000
Total energy: -82.266566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.266566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.266566 (E_RNA)
where:
Base-Base interactions energy: -23.650
where: short stacking energy: -19.534
Base-Backbone interact. energy: -0.621
local terms energy: -57.995995
where:
bonds (distance) C4'-P energy: -13.180
bonds (distance) P-C4' energy: -14.619
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -12.455
tors. eta vs tors. theta energy: -3.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 24
Temperature: 0.900000
Total energy: -286.942954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.942954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.942954 (E_RNA)
where:
Base-Base interactions energy: -195.131
where: short stacking energy: -81.044
Base-Backbone interact. energy: -0.001
local terms energy: -91.810633
where:
bonds (distance) C4'-P energy: -15.955
bonds (distance) P-C4' energy: -18.319
flat angles C4'-P-C4' energy: -16.531
flat angles P-C4'-P energy: -16.137
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: 2, replica: 4
=====================================
Write number: 24
Temperature: 0.950000
Total energy: -236.369790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.369790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.369790 (E_RNA)
where:
Base-Base interactions energy: -150.566
where: short stacking energy: -53.414
Base-Backbone interact. energy: -0.192
local terms energy: -85.612230
where:
bonds (distance) C4'-P energy: -19.028
bonds (distance) P-C4' energy: -17.218
flat angles C4'-P-C4' energy: -17.008
flat angles P-C4'-P energy: -14.308
tors. eta vs tors. theta energy: -18.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 24
Temperature: 1.000000
Total energy: -275.615205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.615205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.615205 (E_RNA)
where:
Base-Base interactions energy: -182.220
where: short stacking energy: -69.368
Base-Backbone interact. energy: -1.125
local terms energy: -92.270229
where:
bonds (distance) C4'-P energy: -16.673
bonds (distance) P-C4' energy: -18.389
flat angles C4'-P-C4' energy: -18.819
flat angles P-C4'-P energy: -11.303
tors. eta vs tors. theta energy: -27.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 24
Temperature: 1.050000
Total energy: -226.347840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.347840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.347840 (E_RNA)
where:
Base-Base interactions energy: -143.558
where: short stacking energy: -54.079
Base-Backbone interact. energy: -0.032
local terms energy: -82.758031
where:
bonds (distance) C4'-P energy: -19.232
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -10.540
flat angles P-C4'-P energy: -14.748
tors. eta vs tors. theta energy: -22.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 24
Temperature: 1.100000
Total energy: -202.588364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.588364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.588364 (E_RNA)
where:
Base-Base interactions energy: -133.680
where: short stacking energy: -57.225
Base-Backbone interact. energy: -0.470
local terms energy: -68.437870
where:
bonds (distance) C4'-P energy: -13.921
bonds (distance) P-C4' energy: -18.107
flat angles C4'-P-C4' energy: -12.856
flat angles P-C4'-P energy: -8.490
tors. eta vs tors. theta energy: -15.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 24
Temperature: 1.150000
Total energy: -147.989582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.989582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.989582 (E_RNA)
where:
Base-Base interactions energy: -75.701
where: short stacking energy: -40.517
Base-Backbone interact. energy: 2.248
local terms energy: -74.536492
where:
bonds (distance) C4'-P energy: -15.520
bonds (distance) P-C4' energy: -20.029
flat angles C4'-P-C4' energy: -16.717
flat angles P-C4'-P energy: -10.962
tors. eta vs tors. theta energy: -11.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 24
Temperature: 1.200000
Total energy: -105.121819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.121819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.121819 (E_RNA)
where:
Base-Base interactions energy: -50.398
where: short stacking energy: -29.164
Base-Backbone interact. energy: -0.392
local terms energy: -54.331669
where:
bonds (distance) C4'-P energy: -14.590
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -16.128
flat angles P-C4'-P energy: -6.490
tors. eta vs tors. theta energy: 0.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 24
Temperature: 1.250000
Total energy: -95.760964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.760964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.760964 (E_RNA)
where:
Base-Base interactions energy: -36.822
where: short stacking energy: -36.822
Base-Backbone interact. energy: 0.044
local terms energy: -58.983188
where:
bonds (distance) C4'-P energy: -16.372
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -15.615
flat angles P-C4'-P energy: -11.225
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: 7
=====================================
Write number: 24
Temperature: 1.300000
Total energy: -102.706063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.706063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.706063 (E_RNA)
where:
Base-Base interactions energy: -43.365
where: short stacking energy: -39.541
Base-Backbone interact. energy: -0.219
local terms energy: -59.121195
where:
bonds (distance) C4'-P energy: -17.000
bonds (distance) P-C4' energy: -16.042
flat angles C4'-P-C4' energy: -10.067
flat angles P-C4'-P energy: -7.525
tors. eta vs tors. theta energy: -8.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 24
Temperature: 1.350000
Total energy: -82.324159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.324159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.324159 (E_RNA)
where:
Base-Base interactions energy: -32.867
where: short stacking energy: -25.263
Base-Backbone interact. energy: 0.110
local terms energy: -49.566771
where:
bonds (distance) C4'-P energy: -13.900
bonds (distance) P-C4' energy: -16.251
flat angles C4'-P-C4' energy: -5.976
flat angles P-C4'-P energy: -6.988
tors. eta vs tors. theta energy: -6.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 25
Temperature: 0.900000
Total energy: -291.838175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.838175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.838175 (E_RNA)
where:
Base-Base interactions energy: -196.318
where: short stacking energy: -80.254
Base-Backbone interact. energy: -0.004
local terms energy: -95.515846
where:
bonds (distance) C4'-P energy: -13.480
bonds (distance) P-C4' energy: -21.063
flat angles C4'-P-C4' energy: -18.027
flat angles P-C4'-P energy: -15.372
tors. eta vs tors. theta energy: -27.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 25
Temperature: 0.950000
Total energy: -279.244453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.244453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.244453 (E_RNA)
where:
Base-Base interactions energy: -186.904
where: short stacking energy: -70.577
Base-Backbone interact. energy: -0.237
local terms energy: -92.103014
where:
bonds (distance) C4'-P energy: -18.345
bonds (distance) P-C4' energy: -19.732
flat angles C4'-P-C4' energy: -18.393
flat angles P-C4'-P energy: -13.537
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: 3, replica: 4
=====================================
Write number: 25
Temperature: 1.000000
Total energy: -222.706778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.706778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.706778 (E_RNA)
where:
Base-Base interactions energy: -140.593
where: short stacking energy: -50.755
Base-Backbone interact. energy: -0.895
local terms energy: -81.218819
where:
bonds (distance) C4'-P energy: -13.348
bonds (distance) P-C4' energy: -20.241
flat angles C4'-P-C4' energy: -18.077
flat angles P-C4'-P energy: -10.773
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: 4, replica: 2
=====================================
Write number: 25
Temperature: 1.050000
Total energy: -220.492888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.492888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.492888 (E_RNA)
where:
Base-Base interactions energy: -150.244
where: short stacking energy: -56.760
Base-Backbone interact. energy: -0.285
local terms energy: -69.963683
where:
bonds (distance) C4'-P energy: -15.814
bonds (distance) P-C4' energy: -18.160
flat angles C4'-P-C4' energy: -18.818
flat angles P-C4'-P energy: -6.080
tors. eta vs tors. theta energy: -11.091
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: 1
=====================================
Write number: 25
Temperature: 1.100000
Total energy: -199.033072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.033072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.033072 (E_RNA)
where:
Base-Base interactions energy: -121.252
where: short stacking energy: -60.147
Base-Backbone interact. energy: -0.589
local terms energy: -77.192086
where:
bonds (distance) C4'-P energy: -15.595
bonds (distance) P-C4' energy: -17.176
flat angles C4'-P-C4' energy: -18.695
flat angles P-C4'-P energy: -10.757
tors. eta vs tors. theta energy: -14.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 25
Temperature: 1.150000
Total energy: -125.222922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.222922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.222922 (E_RNA)
where:
Base-Base interactions energy: -64.117
where: short stacking energy: -49.476
Base-Backbone interact. energy: -0.096
local terms energy: -61.009147
where:
bonds (distance) C4'-P energy: -12.111
bonds (distance) P-C4' energy: -13.833
flat angles C4'-P-C4' energy: -17.449
flat angles P-C4'-P energy: -10.302
tors. eta vs tors. theta energy: -7.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 25
Temperature: 1.200000
Total energy: -96.295258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.295258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.295258 (E_RNA)
where:
Base-Base interactions energy: -31.433
where: short stacking energy: -27.668
Base-Backbone interact. energy: -0.458
local terms energy: -64.404768
where:
bonds (distance) C4'-P energy: -14.043
bonds (distance) P-C4' energy: -21.293
flat angles C4'-P-C4' energy: -17.415
flat angles P-C4'-P energy: -10.363
tors. eta vs tors. theta energy: -1.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 7
=====================================
Write number: 25
Temperature: 1.250000
Total energy: -86.505956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.505956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.505956 (E_RNA)
where:
Base-Base interactions energy: -27.028
where: short stacking energy: -24.894
Base-Backbone interact. energy: -1.727
local terms energy: -57.750993
where:
bonds (distance) C4'-P energy: -16.680
bonds (distance) P-C4' energy: -18.009
flat angles C4'-P-C4' energy: -10.805
flat angles P-C4'-P energy: -11.302
tors. eta vs tors. theta energy: -0.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 25
Temperature: 1.300000
Total energy: -100.835646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.835646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.835646 (E_RNA)
where:
Base-Base interactions energy: -37.270
where: short stacking energy: -37.270
Base-Backbone interact. energy: -0.511
local terms energy: -63.054386
where:
bonds (distance) C4'-P energy: -14.874
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -16.110
flat angles P-C4'-P energy: -5.210
tors. eta vs tors. theta energy: -12.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 25
Temperature: 1.350000
Total energy: -87.335015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.335015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.335015 (E_RNA)
where:
Base-Base interactions energy: -34.268
where: short stacking energy: -31.081
Base-Backbone interact. energy: -1.085
local terms energy: -51.982053
where:
bonds (distance) C4'-P energy: -17.162
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -10.585
flat angles P-C4'-P energy: -6.303
tors. eta vs tors. theta energy: -2.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 26
Temperature: 0.900000
Total energy: -290.484192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.484192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.484192 (E_RNA)
where:
Base-Base interactions energy: -202.356
where: short stacking energy: -75.561
Base-Backbone interact. energy: -0.708
local terms energy: -87.420439
where:
bonds (distance) C4'-P energy: -19.308
bonds (distance) P-C4' energy: -17.755
flat angles C4'-P-C4' energy: -18.744
flat angles P-C4'-P energy: -10.018
tors. eta vs tors. theta energy: -21.595
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 26
Temperature: 0.950000
Total energy: -289.745149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.745149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.745149 (E_RNA)
where:
Base-Base interactions energy: -196.014
where: short stacking energy: -83.215
Base-Backbone interact. energy: -0.004
local terms energy: -93.726408
where:
bonds (distance) C4'-P energy: -19.513
bonds (distance) P-C4' energy: -18.806
flat angles C4'-P-C4' energy: -19.036
flat angles P-C4'-P energy: -11.519
tors. eta vs tors. theta energy: -24.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 26
Temperature: 1.000000
Total energy: -253.674963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.674963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.674963 (E_RNA)
where:
Base-Base interactions energy: -173.519
where: short stacking energy: -59.114
Base-Backbone interact. energy: -1.751
local terms energy: -78.404669
where:
bonds (distance) C4'-P energy: -12.855
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -18.320
flat angles P-C4'-P energy: -16.879
tors. eta vs tors. theta energy: -14.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 26
Temperature: 1.050000
Total energy: -211.990248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.990248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.990248 (E_RNA)
where:
Base-Base interactions energy: -135.434
where: short stacking energy: -50.856
Base-Backbone interact. energy: -0.645
local terms energy: -75.911846
where:
bonds (distance) C4'-P energy: -20.187
bonds (distance) P-C4' energy: -18.476
flat angles C4'-P-C4' energy: -17.192
flat angles P-C4'-P energy: -12.663
tors. eta vs tors. theta energy: -7.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 26
Temperature: 1.100000
Total energy: -212.639854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.639854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.639854 (E_RNA)
where:
Base-Base interactions energy: -133.028
where: short stacking energy: -75.435
Base-Backbone interact. energy: -0.378
local terms energy: -79.233703
where:
bonds (distance) C4'-P energy: -12.897
bonds (distance) P-C4' energy: -17.729
flat angles C4'-P-C4' energy: -18.115
flat angles P-C4'-P energy: -10.630
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: 6, replica: 3
=====================================
Write number: 26
Temperature: 1.150000
Total energy: -111.800467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.800467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.800467 (E_RNA)
where:
Base-Base interactions energy: -60.588
where: short stacking energy: -28.701
Base-Backbone interact. energy: -0.265
local terms energy: -50.947763
where:
bonds (distance) C4'-P energy: -10.956
bonds (distance) P-C4' energy: -13.893
flat angles C4'-P-C4' energy: -16.362
flat angles P-C4'-P energy: -7.619
tors. eta vs tors. theta energy: -2.119
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: 7
=====================================
Write number: 26
Temperature: 1.200000
Total energy: -147.436170 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.436170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.436170 (E_RNA)
where:
Base-Base interactions energy: -90.113
where: short stacking energy: -46.175
Base-Backbone interact. energy: -0.513
local terms energy: -56.810832
where:
bonds (distance) C4'-P energy: -13.195
bonds (distance) P-C4' energy: -12.297
flat angles C4'-P-C4' energy: -17.021
flat angles P-C4'-P energy: -9.062
tors. eta vs tors. theta energy: -5.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 26
Temperature: 1.250000
Total energy: -107.433427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.433427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.433427 (E_RNA)
where:
Base-Base interactions energy: -45.048
where: short stacking energy: -29.625
Base-Backbone interact. energy: -1.055
local terms energy: -61.329964
where:
bonds (distance) C4'-P energy: -17.882
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -14.680
flat angles P-C4'-P energy: -9.190
tors. eta vs tors. theta energy: -4.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 26
Temperature: 1.300000
Total energy: -95.450972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.450972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.450972 (E_RNA)
where:
Base-Base interactions energy: -31.959
where: short stacking energy: -22.770
Base-Backbone interact. energy: -0.021
local terms energy: -63.471100
where:
bonds (distance) C4'-P energy: -20.833
bonds (distance) P-C4' energy: -19.324
flat angles C4'-P-C4' energy: -12.868
flat angles P-C4'-P energy: -8.358
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: 10, replica: 9
=====================================
Write number: 26
Temperature: 1.350000
Total energy: -96.756248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.756248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.756248 (E_RNA)
where:
Base-Base interactions energy: -38.406
where: short stacking energy: -36.751
Base-Backbone interact. energy: -0.212
local terms energy: -58.138400
where:
bonds (distance) C4'-P energy: -19.069
bonds (distance) P-C4' energy: -8.402
flat angles C4'-P-C4' energy: -16.348
flat angles P-C4'-P energy: -7.334
tors. eta vs tors. theta energy: -6.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 27
Temperature: 0.900000
Total energy: -286.996680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.996680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.996680 (E_RNA)
where:
Base-Base interactions energy: -194.977
where: short stacking energy: -79.810
Base-Backbone interact. energy: 0.750
local terms energy: -92.770329
where:
bonds (distance) C4'-P energy: -15.660
bonds (distance) P-C4' energy: -21.092
flat angles C4'-P-C4' energy: -21.239
flat angles P-C4'-P energy: -13.522
tors. eta vs tors. theta energy: -21.258
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: 2, replica: 2
=====================================
Write number: 27
Temperature: 0.950000
Total energy: -263.111702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.111702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.111702 (E_RNA)
where:
Base-Base interactions energy: -187.111
where: short stacking energy: -57.191
Base-Backbone interact. energy: -0.282
local terms energy: -75.718919
where:
bonds (distance) C4'-P energy: -13.525
bonds (distance) P-C4' energy: -20.433
flat angles C4'-P-C4' energy: -15.547
flat angles P-C4'-P energy: -12.341
tors. eta vs tors. theta energy: -13.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 27
Temperature: 1.000000
Total energy: -281.585296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.585296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.585296 (E_RNA)
where:
Base-Base interactions energy: -192.826
where: short stacking energy: -84.160
Base-Backbone interact. energy: -0.284
local terms energy: -88.475524
where:
bonds (distance) C4'-P energy: -15.866
bonds (distance) P-C4' energy: -15.943
flat angles C4'-P-C4' energy: -18.248
flat angles P-C4'-P energy: -13.725
tors. eta vs tors. theta energy: -24.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 27
Temperature: 1.050000
Total energy: -217.160965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.160965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.160965 (E_RNA)
where:
Base-Base interactions energy: -140.682
where: short stacking energy: -76.881
Base-Backbone interact. energy: -0.078
local terms energy: -76.400461
where:
bonds (distance) C4'-P energy: -10.827
bonds (distance) P-C4' energy: -16.024
flat angles C4'-P-C4' energy: -15.212
flat angles P-C4'-P energy: -11.174
tors. eta vs tors. theta energy: -23.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 27
Temperature: 1.100000
Total energy: -203.704514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.704514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.704514 (E_RNA)
where:
Base-Base interactions energy: -124.354
where: short stacking energy: -51.830
Base-Backbone interact. energy: -0.733
local terms energy: -78.616916
where:
bonds (distance) C4'-P energy: -15.969
bonds (distance) P-C4' energy: -19.189
flat angles C4'-P-C4' energy: -14.602
flat angles P-C4'-P energy: -15.022
tors. eta vs tors. theta energy: -13.836
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: 7
=====================================
Write number: 27
Temperature: 1.150000
Total energy: -158.598447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.598447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.598447 (E_RNA)
where:
Base-Base interactions energy: -99.492
where: short stacking energy: -55.845
Base-Backbone interact. energy: 1.354
local terms energy: -60.460494
where:
bonds (distance) C4'-P energy: -15.587
bonds (distance) P-C4' energy: -16.217
flat angles C4'-P-C4' energy: -13.206
flat angles P-C4'-P energy: -12.538
tors. eta vs tors. theta energy: -2.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 27
Temperature: 1.200000
Total energy: -104.993857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.993857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.993857 (E_RNA)
where:
Base-Base interactions energy: -48.531
where: short stacking energy: -21.534
Base-Backbone interact. energy: -0.271
local terms energy: -56.192305
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -17.757
flat angles C4'-P-C4' energy: -14.811
flat angles P-C4'-P energy: -10.185
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: 8, replica: 8
=====================================
Write number: 27
Temperature: 1.250000
Total energy: -98.897034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.897034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.897034 (E_RNA)
where:
Base-Base interactions energy: -39.558
where: short stacking energy: -35.483
Base-Backbone interact. energy: -0.657
local terms energy: -58.682145
where:
bonds (distance) C4'-P energy: -16.594
bonds (distance) P-C4' energy: -14.245
flat angles C4'-P-C4' energy: -14.124
flat angles P-C4'-P energy: -5.152
tors. eta vs tors. theta energy: -8.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 27
Temperature: 1.300000
Total energy: -85.129792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.129792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.129792 (E_RNA)
where:
Base-Base interactions energy: -36.876
where: short stacking energy: -22.826
Base-Backbone interact. energy: 1.112
local terms energy: -49.366535
where:
bonds (distance) C4'-P energy: -13.203
bonds (distance) P-C4' energy: -13.439
flat angles C4'-P-C4' energy: -14.820
flat angles P-C4'-P energy: -1.766
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: 9
=====================================
Write number: 27
Temperature: 1.350000
Total energy: -90.178172 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.178172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.178172 (E_RNA)
where:
Base-Base interactions energy: -30.601
where: short stacking energy: -30.513
Base-Backbone interact. energy: 0.058
local terms energy: -59.635831
where:
bonds (distance) C4'-P energy: -20.536
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -6.776
flat angles P-C4'-P energy: -11.204
tors. eta vs tors. theta energy: -7.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 28
Temperature: 0.900000
Total energy: -284.650774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.650774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.650774 (E_RNA)
where:
Base-Base interactions energy: -199.681
where: short stacking energy: -71.818
Base-Backbone interact. energy: 2.313
local terms energy: -87.282309
where:
bonds (distance) C4'-P energy: -16.722
bonds (distance) P-C4' energy: -15.197
flat angles C4'-P-C4' energy: -18.213
flat angles P-C4'-P energy: -14.900
tors. eta vs tors. theta energy: -22.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 28
Temperature: 0.950000
Total energy: -282.058977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.058977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.058977 (E_RNA)
where:
Base-Base interactions energy: -194.041
where: short stacking energy: -74.201
Base-Backbone interact. energy: -1.782
local terms energy: -86.236073
where:
bonds (distance) C4'-P energy: -17.711
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -19.557
flat angles P-C4'-P energy: -15.160
tors. eta vs tors. theta energy: -20.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 28
Temperature: 1.000000
Total energy: -228.209406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.209406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.209406 (E_RNA)
where:
Base-Base interactions energy: -143.595
where: short stacking energy: -74.058
Base-Backbone interact. energy: -0.083
local terms energy: -84.531503
where:
bonds (distance) C4'-P energy: -15.233
bonds (distance) P-C4' energy: -17.142
flat angles C4'-P-C4' energy: -13.246
flat angles P-C4'-P energy: -14.703
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: 4, replica: 5
=====================================
Write number: 28
Temperature: 1.050000
Total energy: -272.280945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.280945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.280945 (E_RNA)
where:
Base-Base interactions energy: -189.725
where: short stacking energy: -76.854
Base-Backbone interact. energy: -0.559
local terms energy: -81.996951
where:
bonds (distance) C4'-P energy: -14.768
bonds (distance) P-C4' energy: -16.157
flat angles C4'-P-C4' energy: -21.173
flat angles P-C4'-P energy: -12.932
tors. eta vs tors. theta energy: -16.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 28
Temperature: 1.100000
Total energy: -214.034275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.034275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.034275 (E_RNA)
where:
Base-Base interactions energy: -133.037
where: short stacking energy: -49.404
Base-Backbone interact. energy: -0.262
local terms energy: -80.735067
where:
bonds (distance) C4'-P energy: -17.529
bonds (distance) P-C4' energy: -18.657
flat angles C4'-P-C4' energy: -19.283
flat angles P-C4'-P energy: -13.580
tors. eta vs tors. theta energy: -11.686
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: 7
=====================================
Write number: 28
Temperature: 1.150000
Total energy: -166.024629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.024629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.024629 (E_RNA)
where:
Base-Base interactions energy: -99.021
where: short stacking energy: -46.762
Base-Backbone interact. energy: -0.099
local terms energy: -66.905069
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -14.157
flat angles C4'-P-C4' energy: -16.715
flat angles P-C4'-P energy: -11.918
tors. eta vs tors. theta energy: -8.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 28
Temperature: 1.200000
Total energy: -90.639814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.639814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.639814 (E_RNA)
where:
Base-Base interactions energy: -30.865
where: short stacking energy: -29.294
Base-Backbone interact. energy: -0.358
local terms energy: -59.416220
where:
bonds (distance) C4'-P energy: -19.283
bonds (distance) P-C4' energy: -16.011
flat angles C4'-P-C4' energy: -15.018
flat angles P-C4'-P energy: -9.156
tors. eta vs tors. theta energy: 0.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 28
Temperature: 1.250000
Total energy: -99.097528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.097528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.097528 (E_RNA)
where:
Base-Base interactions energy: -36.524
where: short stacking energy: -30.389
Base-Backbone interact. energy: -0.651
local terms energy: -61.922697
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -17.400
flat angles C4'-P-C4' energy: -13.951
flat angles P-C4'-P energy: -9.525
tors. eta vs tors. theta energy: -4.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 28
Temperature: 1.300000
Total energy: -88.595223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.595223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.595223 (E_RNA)
where:
Base-Base interactions energy: -25.881
where: short stacking energy: -25.881
Base-Backbone interact. energy: -0.151
local terms energy: -62.563960
where:
bonds (distance) C4'-P energy: -17.483
bonds (distance) P-C4' energy: -18.002
flat angles C4'-P-C4' energy: -13.034
flat angles P-C4'-P energy: -10.299
tors. eta vs tors. theta energy: -3.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 28
Temperature: 1.350000
Total energy: -83.019374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.019374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.019374 (E_RNA)
where:
Base-Base interactions energy: -32.280
where: short stacking energy: -25.989
Base-Backbone interact. energy: -0.909
local terms energy: -49.830954
where:
bonds (distance) C4'-P energy: -13.339
bonds (distance) P-C4' energy: -12.607
flat angles C4'-P-C4' energy: -15.445
flat angles P-C4'-P energy: -9.433
tors. eta vs tors. theta energy: 0.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 29
Temperature: 0.900000
Total energy: -290.447922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.447922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.447922 (E_RNA)
where:
Base-Base interactions energy: -199.115
where: short stacking energy: -82.708
Base-Backbone interact. energy: -0.339
local terms energy: -90.994086
where:
bonds (distance) C4'-P energy: -18.084
bonds (distance) P-C4' energy: -17.629
flat angles C4'-P-C4' energy: -18.906
flat angles P-C4'-P energy: -9.906
tors. eta vs tors. theta energy: -26.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 29
Temperature: 0.950000
Total energy: -288.574585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.574585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.574585 (E_RNA)
where:
Base-Base interactions energy: -200.537
where: short stacking energy: -70.718
Base-Backbone interact. energy: -0.161
local terms energy: -87.875795
where:
bonds (distance) C4'-P energy: -14.160
bonds (distance) P-C4' energy: -18.241
flat angles C4'-P-C4' energy: -17.652
flat angles P-C4'-P energy: -14.859
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: 3, replica: 1
=====================================
Write number: 29
Temperature: 1.000000
Total energy: -223.942871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.942871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.942871 (E_RNA)
where:
Base-Base interactions energy: -137.667
where: short stacking energy: -59.314
Base-Backbone interact. energy: -0.024
local terms energy: -86.252252
where:
bonds (distance) C4'-P energy: -19.293
bonds (distance) P-C4' energy: -18.536
flat angles C4'-P-C4' energy: -20.543
flat angles P-C4'-P energy: -10.074
tors. eta vs tors. theta energy: -17.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 29
Temperature: 1.050000
Total energy: -272.505522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.505522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.505522 (E_RNA)
where:
Base-Base interactions energy: -184.670
where: short stacking energy: -69.295
Base-Backbone interact. energy: -0.019
local terms energy: -87.816907
where:
bonds (distance) C4'-P energy: -15.667
bonds (distance) P-C4' energy: -17.244
flat angles C4'-P-C4' energy: -17.602
flat angles P-C4'-P energy: -14.027
tors. eta vs tors. theta energy: -23.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 29
Temperature: 1.100000
Total energy: -197.827315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.827315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.827315 (E_RNA)
where:
Base-Base interactions energy: -123.463
where: short stacking energy: -49.536
Base-Backbone interact. energy: -0.383
local terms energy: -73.981509
where:
bonds (distance) C4'-P energy: -14.321
bonds (distance) P-C4' energy: -17.987
flat angles C4'-P-C4' energy: -19.623
flat angles P-C4'-P energy: -10.384
tors. eta vs tors. theta energy: -11.666
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: 7
=====================================
Write number: 29
Temperature: 1.150000
Total energy: -172.721841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.721841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.721841 (E_RNA)
where:
Base-Base interactions energy: -97.171
where: short stacking energy: -53.509
Base-Backbone interact. energy: -0.318
local terms energy: -75.232495
where:
bonds (distance) C4'-P energy: -17.617
bonds (distance) P-C4' energy: -18.334
flat angles C4'-P-C4' energy: -14.458
flat angles P-C4'-P energy: -11.998
tors. eta vs tors. theta energy: -12.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 29
Temperature: 1.200000
Total energy: -164.204268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.204268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.204268 (E_RNA)
where:
Base-Base interactions energy: -98.007
where: short stacking energy: -49.969
Base-Backbone interact. energy: -0.104
local terms energy: -66.092952
where:
bonds (distance) C4'-P energy: -15.990
bonds (distance) P-C4' energy: -15.446
flat angles C4'-P-C4' energy: -14.378
flat angles P-C4'-P energy: -11.824
tors. eta vs tors. theta energy: -8.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 29
Temperature: 1.250000
Total energy: -100.911586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.911586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.911586 (E_RNA)
where:
Base-Base interactions energy: -35.660
where: short stacking energy: -29.099
Base-Backbone interact. energy: 0.161
local terms energy: -65.413105
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -16.520
flat angles C4'-P-C4' energy: -15.086
flat angles P-C4'-P energy: -8.980
tors. eta vs tors. theta energy: -7.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 29
Temperature: 1.300000
Total energy: -89.939086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.939086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.939086 (E_RNA)
where:
Base-Base interactions energy: -35.635
where: short stacking energy: -35.835
Base-Backbone interact. energy: -0.082
local terms energy: -54.222877
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -12.508
flat angles C4'-P-C4' energy: -9.134
flat angles P-C4'-P energy: -10.805
tors. eta vs tors. theta energy: -6.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 29
Temperature: 1.350000
Total energy: -82.436946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.436946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.436946 (E_RNA)
where:
Base-Base interactions energy: -26.021
where: short stacking energy: -25.350
Base-Backbone interact. energy: -0.266
local terms energy: -56.150049
where:
bonds (distance) C4'-P energy: -18.879
bonds (distance) P-C4' energy: -12.269
flat angles C4'-P-C4' energy: -12.162
flat angles P-C4'-P energy: -8.589
tors. eta vs tors. theta energy: -4.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 30
Temperature: 0.900000
Total energy: -290.982035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.982035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.982035 (E_RNA)
where:
Base-Base interactions energy: -198.929
where: short stacking energy: -78.365
Base-Backbone interact. energy: -0.152
local terms energy: -91.901096
where:
bonds (distance) C4'-P energy: -18.307
bonds (distance) P-C4' energy: -18.943
flat angles C4'-P-C4' energy: -20.275
flat angles P-C4'-P energy: -12.503
tors. eta vs tors. theta energy: -21.873
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: 2, replica: 2
=====================================
Write number: 30
Temperature: 0.950000
Total energy: -283.211370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.211370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.211370 (E_RNA)
where:
Base-Base interactions energy: -194.978
where: short stacking energy: -75.623
Base-Backbone interact. energy: -0.759
local terms energy: -87.474472
where:
bonds (distance) C4'-P energy: -19.342
bonds (distance) P-C4' energy: -18.210
flat angles C4'-P-C4' energy: -19.495
flat angles P-C4'-P energy: -9.916
tors. eta vs tors. theta energy: -20.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 30
Temperature: 1.000000
Total energy: -279.057342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.057342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.057342 (E_RNA)
where:
Base-Base interactions energy: -192.910
where: short stacking energy: -88.628
Base-Backbone interact. energy: 0.805
local terms energy: -86.952425
where:
bonds (distance) C4'-P energy: -13.834
bonds (distance) P-C4' energy: -15.201
flat angles C4'-P-C4' energy: -19.592
flat angles P-C4'-P energy: -13.695
tors. eta vs tors. theta energy: -24.631
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 30
Temperature: 1.050000
Total energy: -220.482090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.482090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.482090 (E_RNA)
where:
Base-Base interactions energy: -131.442
where: short stacking energy: -66.713
Base-Backbone interact. energy: 0.318
local terms energy: -89.358751
where:
bonds (distance) C4'-P energy: -19.310
bonds (distance) P-C4' energy: -17.423
flat angles C4'-P-C4' energy: -15.398
flat angles P-C4'-P energy: -10.412
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: 5, replica: 4
=====================================
Write number: 30
Temperature: 1.100000
Total energy: -206.171039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.171039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.171039 (E_RNA)
where:
Base-Base interactions energy: -131.654
where: short stacking energy: -61.744
Base-Backbone interact. energy: -0.753
local terms energy: -73.763797
where:
bonds (distance) C4'-P energy: -15.921
bonds (distance) P-C4' energy: -17.883
flat angles C4'-P-C4' energy: -12.487
flat angles P-C4'-P energy: -12.030
tors. eta vs tors. theta energy: -15.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 30
Temperature: 1.150000
Total energy: -170.395524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.395524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.395524 (E_RNA)
where:
Base-Base interactions energy: -95.235
where: short stacking energy: -52.962
Base-Backbone interact. energy: -0.941
local terms energy: -74.218740
where:
bonds (distance) C4'-P energy: -12.491
bonds (distance) P-C4' energy: -18.736
flat angles C4'-P-C4' energy: -17.496
flat angles P-C4'-P energy: -12.458
tors. eta vs tors. theta energy: -13.038
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: 3
=====================================
Write number: 30
Temperature: 1.200000
Total energy: -200.799687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.799687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.799687 (E_RNA)
where:
Base-Base interactions energy: -127.841
where: short stacking energy: -57.312
Base-Backbone interact. energy: -2.098
local terms energy: -70.861185
where:
bonds (distance) C4'-P energy: -16.698
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -14.730
flat angles P-C4'-P energy: -12.552
tors. eta vs tors. theta energy: -11.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 30
Temperature: 1.250000
Total energy: -92.667829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.667829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.667829 (E_RNA)
where:
Base-Base interactions energy: -41.447
where: short stacking energy: -31.940
Base-Backbone interact. energy: 2.117
local terms energy: -53.337621
where:
bonds (distance) C4'-P energy: -12.751
bonds (distance) P-C4' energy: -15.366
flat angles C4'-P-C4' energy: -13.657
flat angles P-C4'-P energy: -8.080
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: 9, replica: 6
=====================================
Write number: 30
Temperature: 1.300000
Total energy: -99.102299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.102299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.102299 (E_RNA)
where:
Base-Base interactions energy: -40.410
where: short stacking energy: -40.410
Base-Backbone interact. energy: -0.159
local terms energy: -58.533007
where:
bonds (distance) C4'-P energy: -11.094
bonds (distance) P-C4' energy: -17.349
flat angles C4'-P-C4' energy: -11.168
flat angles P-C4'-P energy: -11.608
tors. eta vs tors. theta energy: -7.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 30
Temperature: 1.350000
Total energy: -99.085375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.085375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.085375 (E_RNA)
where:
Base-Base interactions energy: -34.320
where: short stacking energy: -34.320
Base-Backbone interact. energy: -0.054
local terms energy: -64.710868
where:
bonds (distance) C4'-P energy: -15.786
bonds (distance) P-C4' energy: -18.902
flat angles C4'-P-C4' energy: -14.515
flat angles P-C4'-P energy: -6.744
tors. eta vs tors. theta energy: -8.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 31
Temperature: 0.900000
Total energy: -286.048129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.048129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.048129 (E_RNA)
where:
Base-Base interactions energy: -201.320
where: short stacking energy: -79.380
Base-Backbone interact. energy: -0.155
local terms energy: -84.573600
where:
bonds (distance) C4'-P energy: -15.501
bonds (distance) P-C4' energy: -17.818
flat angles C4'-P-C4' energy: -17.443
flat angles P-C4'-P energy: -12.727
tors. eta vs tors. theta energy: -21.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 31
Temperature: 0.950000
Total energy: -282.398187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.398187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.398187 (E_RNA)
where:
Base-Base interactions energy: -191.480
where: short stacking energy: -82.601
Base-Backbone interact. energy: -0.244
local terms energy: -90.674381
where:
bonds (distance) C4'-P energy: -17.252
bonds (distance) P-C4' energy: -14.507
flat angles C4'-P-C4' energy: -18.916
flat angles P-C4'-P energy: -15.471
tors. eta vs tors. theta energy: -24.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 31
Temperature: 1.000000
Total energy: -277.152287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.152287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.152287 (E_RNA)
where:
Base-Base interactions energy: -194.667
where: short stacking energy: -82.577
Base-Backbone interact. energy: -0.756
local terms energy: -81.729304
where:
bonds (distance) C4'-P energy: -12.674
bonds (distance) P-C4' energy: -16.395
flat angles C4'-P-C4' energy: -16.404
flat angles P-C4'-P energy: -9.197
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: 1
=====================================
Write number: 31
Temperature: 1.050000
Total energy: -223.827377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.827377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.827377 (E_RNA)
where:
Base-Base interactions energy: -140.339
where: short stacking energy: -66.322
Base-Backbone interact. energy: -0.496
local terms energy: -82.992444
where:
bonds (distance) C4'-P energy: -14.474
bonds (distance) P-C4' energy: -13.279
flat angles C4'-P-C4' energy: -18.676
flat angles P-C4'-P energy: -11.535
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: 5, replica: 4
=====================================
Write number: 31
Temperature: 1.100000
Total energy: -210.654396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.654396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.654396 (E_RNA)
where:
Base-Base interactions energy: -134.532
where: short stacking energy: -50.236
Base-Backbone interact. energy: 0.094
local terms energy: -76.216410
where:
bonds (distance) C4'-P energy: -18.237
bonds (distance) P-C4' energy: -18.901
flat angles C4'-P-C4' energy: -14.975
flat angles P-C4'-P energy: -10.535
tors. eta vs tors. theta energy: -13.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 31
Temperature: 1.150000
Total energy: -186.969040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.969040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.969040 (E_RNA)
where:
Base-Base interactions energy: -120.979
where: short stacking energy: -64.305
Base-Backbone interact. energy: -0.011
local terms energy: -65.979140
where:
bonds (distance) C4'-P energy: -16.957
bonds (distance) P-C4' energy: -7.172
flat angles C4'-P-C4' energy: -14.257
flat angles P-C4'-P energy: -10.036
tors. eta vs tors. theta energy: -17.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 31
Temperature: 1.200000
Total energy: -161.226809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.226809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.226809 (E_RNA)
where:
Base-Base interactions energy: -103.840
where: short stacking energy: -54.122
Base-Backbone interact. energy: -0.140
local terms energy: -57.247596
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -12.178
flat angles C4'-P-C4' energy: -15.088
flat angles P-C4'-P energy: -5.133
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: 8, replica: 6
=====================================
Write number: 31
Temperature: 1.250000
Total energy: -106.768508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.768508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.768508 (E_RNA)
where:
Base-Base interactions energy: -36.904
where: short stacking energy: -36.904
Base-Backbone interact. energy: -0.105
local terms energy: -69.759091
where:
bonds (distance) C4'-P energy: -12.512
bonds (distance) P-C4' energy: -19.812
flat angles C4'-P-C4' energy: -19.710
flat angles P-C4'-P energy: -10.610
tors. eta vs tors. theta energy: -7.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 31
Temperature: 1.300000
Total energy: -82.136015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.136015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.136015 (E_RNA)
where:
Base-Base interactions energy: -27.444
where: short stacking energy: -18.557
Base-Backbone interact. energy: -0.323
local terms energy: -54.369190
where:
bonds (distance) C4'-P energy: -19.194
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -14.679
flat angles P-C4'-P energy: -9.661
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: 8
=====================================
Write number: 31
Temperature: 1.350000
Total energy: -84.758023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.758023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.758023 (E_RNA)
where:
Base-Base interactions energy: -30.121
where: short stacking energy: -22.529
Base-Backbone interact. energy: -0.097
local terms energy: -54.539969
where:
bonds (distance) C4'-P energy: -13.920
bonds (distance) P-C4' energy: -19.425
flat angles C4'-P-C4' energy: -16.362
flat angles P-C4'-P energy: -10.783
tors. eta vs tors. theta energy: 5.949
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: 10
=====================================
Write number: 32
Temperature: 0.900000
Total energy: -282.107702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.107702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.107702 (E_RNA)
where:
Base-Base interactions energy: -193.042
where: short stacking energy: -71.484
Base-Backbone interact. energy: -0.788
local terms energy: -88.277976
where:
bonds (distance) C4'-P energy: -19.028
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -18.762
flat angles P-C4'-P energy: -13.515
tors. eta vs tors. theta energy: -20.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 32
Temperature: 0.950000
Total energy: -289.422440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.422440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.422440 (E_RNA)
where:
Base-Base interactions energy: -196.681
where: short stacking energy: -78.981
Base-Backbone interact. energy: -0.262
local terms energy: -92.479087
where:
bonds (distance) C4'-P energy: -17.584
bonds (distance) P-C4' energy: -15.659
flat angles C4'-P-C4' energy: -17.252
flat angles P-C4'-P energy: -14.237
tors. eta vs tors. theta energy: -27.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 32
Temperature: 1.000000
Total energy: -282.355983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.355983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.355983 (E_RNA)
where:
Base-Base interactions energy: -192.894
where: short stacking energy: -77.365
Base-Backbone interact. energy: -0.910
local terms energy: -88.552698
where:
bonds (distance) C4'-P energy: -18.345
bonds (distance) P-C4' energy: -19.585
flat angles C4'-P-C4' energy: -17.590
flat angles P-C4'-P energy: -11.936
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: 4, replica: 1
=====================================
Write number: 32
Temperature: 1.050000
Total energy: -225.130468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.130468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.130468 (E_RNA)
where:
Base-Base interactions energy: -139.996
where: short stacking energy: -67.688
Base-Backbone interact. energy: -0.102
local terms energy: -85.032340
where:
bonds (distance) C4'-P energy: -17.119
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -18.869
flat angles P-C4'-P energy: -13.754
tors. eta vs tors. theta energy: -18.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 32
Temperature: 1.100000
Total energy: -199.132838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.132838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.132838 (E_RNA)
where:
Base-Base interactions energy: -118.829
where: short stacking energy: -54.461
Base-Backbone interact. energy: -0.251
local terms energy: -80.052532
where:
bonds (distance) C4'-P energy: -15.865
bonds (distance) P-C4' energy: -15.779
flat angles C4'-P-C4' energy: -19.271
flat angles P-C4'-P energy: -12.814
tors. eta vs tors. theta energy: -16.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 32
Temperature: 1.150000
Total energy: -186.302757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.302757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.302757 (E_RNA)
where:
Base-Base interactions energy: -107.186
where: short stacking energy: -44.368
Base-Backbone interact. energy: 1.689
local terms energy: -80.805294
where:
bonds (distance) C4'-P energy: -14.851
bonds (distance) P-C4' energy: -20.852
flat angles C4'-P-C4' energy: -18.527
flat angles P-C4'-P energy: -12.062
tors. eta vs tors. theta energy: -14.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 32
Temperature: 1.200000
Total energy: -175.759717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.759717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.759717 (E_RNA)
where:
Base-Base interactions energy: -109.354
where: short stacking energy: -58.682
Base-Backbone interact. energy: -0.372
local terms energy: -66.033292
where:
bonds (distance) C4'-P energy: -13.148
bonds (distance) P-C4' energy: -18.324
flat angles C4'-P-C4' energy: -18.201
flat angles P-C4'-P energy: -6.213
tors. eta vs tors. theta energy: -10.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 32
Temperature: 1.250000
Total energy: -103.157169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.157169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.157169 (E_RNA)
where:
Base-Base interactions energy: -41.405
where: short stacking energy: -36.685
Base-Backbone interact. energy: -0.185
local terms energy: -61.567248
where:
bonds (distance) C4'-P energy: -19.479
bonds (distance) P-C4' energy: -15.590
flat angles C4'-P-C4' energy: -15.095
flat angles P-C4'-P energy: -10.207
tors. eta vs tors. theta energy: -1.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 32
Temperature: 1.300000
Total energy: -94.840157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.840157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.840157 (E_RNA)
where:
Base-Base interactions energy: -35.237
where: short stacking energy: -35.237
Base-Backbone interact. energy: 0.054
local terms energy: -59.657121
where:
bonds (distance) C4'-P energy: -13.717
bonds (distance) P-C4' energy: -20.566
flat angles C4'-P-C4' energy: -7.697
flat angles P-C4'-P energy: -12.594
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: 9
=====================================
Write number: 32
Temperature: 1.350000
Total energy: -86.046544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.046544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.046544 (E_RNA)
where:
Base-Base interactions energy: -27.165
where: short stacking energy: -27.165
Base-Backbone interact. energy: 0.034
local terms energy: -58.915726
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -16.851
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -10.037
tors. eta vs tors. theta energy: -3.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 33
Temperature: 0.900000
Total energy: -289.159960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.159960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.159960 (E_RNA)
where:
Base-Base interactions energy: -205.422
where: short stacking energy: -75.014
Base-Backbone interact. energy: 0.056
local terms energy: -83.793965
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -16.330
flat angles P-C4'-P energy: -14.718
tors. eta vs tors. theta energy: -19.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 33
Temperature: 0.950000
Total energy: -287.062898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.062898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.062898 (E_RNA)
where:
Base-Base interactions energy: -196.426
where: short stacking energy: -78.632
Base-Backbone interact. energy: -0.719
local terms energy: -89.918146
where:
bonds (distance) C4'-P energy: -15.526
bonds (distance) P-C4' energy: -16.472
flat angles C4'-P-C4' energy: -18.258
flat angles P-C4'-P energy: -15.285
tors. eta vs tors. theta energy: -24.378
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: 2
=====================================
Write number: 33
Temperature: 1.000000
Total energy: -279.053351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.053351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.053351 (E_RNA)
where:
Base-Base interactions energy: -187.621
where: short stacking energy: -75.510
Base-Backbone interact. energy: -0.199
local terms energy: -91.233737
where:
bonds (distance) C4'-P energy: -17.836
bonds (distance) P-C4' energy: -17.754
flat angles C4'-P-C4' energy: -20.487
flat angles P-C4'-P energy: -8.482
tors. eta vs tors. theta energy: -26.675
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: 33
Temperature: 1.050000
Total energy: -215.821777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.821777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.821777 (E_RNA)
where:
Base-Base interactions energy: -144.669
where: short stacking energy: -55.577
Base-Backbone interact. energy: -0.395
local terms energy: -70.758080
where:
bonds (distance) C4'-P energy: -16.789
bonds (distance) P-C4' energy: -18.677
flat angles C4'-P-C4' energy: -17.466
flat angles P-C4'-P energy: -7.644
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: 5, replica: 1
=====================================
Write number: 33
Temperature: 1.100000
Total energy: -203.697364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.697364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.697364 (E_RNA)
where:
Base-Base interactions energy: -126.708
where: short stacking energy: -64.755
Base-Backbone interact. energy: -1.059
local terms energy: -75.930149
where:
bonds (distance) C4'-P energy: -12.122
bonds (distance) P-C4' energy: -18.389
flat angles C4'-P-C4' energy: -18.408
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -17.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 33
Temperature: 1.150000
Total energy: -215.448699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.448699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.448699 (E_RNA)
where:
Base-Base interactions energy: -144.747
where: short stacking energy: -57.528
Base-Backbone interact. energy: -1.031
local terms energy: -69.670860
where:
bonds (distance) C4'-P energy: -9.981
bonds (distance) P-C4' energy: -13.303
flat angles C4'-P-C4' energy: -16.000
flat angles P-C4'-P energy: -13.092
tors. eta vs tors. theta energy: -17.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 33
Temperature: 1.200000
Total energy: -163.066415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.066415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.066415 (E_RNA)
where:
Base-Base interactions energy: -99.610
where: short stacking energy: -37.651
Base-Backbone interact. energy: -0.335
local terms energy: -63.122136
where:
bonds (distance) C4'-P energy: -18.201
bonds (distance) P-C4' energy: -20.545
flat angles C4'-P-C4' energy: -11.752
flat angles P-C4'-P energy: -6.639
tors. eta vs tors. theta energy: -5.986
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: 8, replica: 8
=====================================
Write number: 33
Temperature: 1.250000
Total energy: -87.403737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.403737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.403737 (E_RNA)
where:
Base-Base interactions energy: -33.613
where: short stacking energy: -22.016
Base-Backbone interact. energy: -0.168
local terms energy: -53.622638
where:
bonds (distance) C4'-P energy: -15.051
bonds (distance) P-C4' energy: -19.051
flat angles C4'-P-C4' energy: -15.619
flat angles P-C4'-P energy: -8.865
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: 6
=====================================
Write number: 33
Temperature: 1.300000
Total energy: -92.988362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.988362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.988362 (E_RNA)
where:
Base-Base interactions energy: -32.400
where: short stacking energy: -32.400
Base-Backbone interact. energy: 0.401
local terms energy: -60.989748
where:
bonds (distance) C4'-P energy: -15.340
bonds (distance) P-C4' energy: -12.395
flat angles C4'-P-C4' energy: -16.104
flat angles P-C4'-P energy: -8.059
tors. eta vs tors. theta energy: -9.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 33
Temperature: 1.350000
Total energy: -88.298346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.298346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.298346 (E_RNA)
where:
Base-Base interactions energy: -23.844
where: short stacking energy: -22.297
Base-Backbone interact. energy: 1.464
local terms energy: -65.918030
where:
bonds (distance) C4'-P energy: -13.642
bonds (distance) P-C4' energy: -18.985
flat angles C4'-P-C4' energy: -15.196
flat angles P-C4'-P energy: -14.578
tors. eta vs tors. theta energy: -3.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 34
Temperature: 0.900000
Total energy: -293.823830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.823830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.823830 (E_RNA)
where:
Base-Base interactions energy: -201.931
where: short stacking energy: -89.509
Base-Backbone interact. energy: -1.233
local terms energy: -90.659725
where:
bonds (distance) C4'-P energy: -18.937
bonds (distance) P-C4' energy: -14.844
flat angles C4'-P-C4' energy: -18.604
flat angles P-C4'-P energy: -13.150
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: 10
=====================================
Write number: 34
Temperature: 0.950000
Total energy: -282.696362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.696362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.696362 (E_RNA)
where:
Base-Base interactions energy: -196.692
where: short stacking energy: -84.357
Base-Backbone interact. energy: -0.466
local terms energy: -85.537687
where:
bonds (distance) C4'-P energy: -17.873
bonds (distance) P-C4' energy: -14.714
flat angles C4'-P-C4' energy: -16.895
flat angles P-C4'-P energy: -12.787
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: 3, replica: 2
=====================================
Write number: 34
Temperature: 1.000000
Total energy: -280.612371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.612371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.612371 (E_RNA)
where:
Base-Base interactions energy: -189.529
where: short stacking energy: -77.291
Base-Backbone interact. energy: -0.769
local terms energy: -90.314532
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -18.520
flat angles C4'-P-C4' energy: -20.173
flat angles P-C4'-P energy: -10.623
tors. eta vs tors. theta energy: -24.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 34
Temperature: 1.050000
Total energy: -207.065380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.065380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.065380 (E_RNA)
where:
Base-Base interactions energy: -129.471
where: short stacking energy: -53.175
Base-Backbone interact. energy: -0.322
local terms energy: -77.271957
where:
bonds (distance) C4'-P energy: -15.801
bonds (distance) P-C4' energy: -16.331
flat angles C4'-P-C4' energy: -15.950
flat angles P-C4'-P energy: -15.063
tors. eta vs tors. theta energy: -14.128
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 34
Temperature: 1.100000
Total energy: -221.322979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.322979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.322979 (E_RNA)
where:
Base-Base interactions energy: -150.040
where: short stacking energy: -60.109
Base-Backbone interact. energy: -0.093
local terms energy: -71.190134
where:
bonds (distance) C4'-P energy: -16.846
bonds (distance) P-C4' energy: -10.710
flat angles C4'-P-C4' energy: -16.790
flat angles P-C4'-P energy: -8.863
tors. eta vs tors. theta energy: -17.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 34
Temperature: 1.150000
Total energy: -204.814391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.814391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.814391 (E_RNA)
where:
Base-Base interactions energy: -122.866
where: short stacking energy: -56.785
Base-Backbone interact. energy: -0.668
local terms energy: -81.279788
where:
bonds (distance) C4'-P energy: -18.238
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -18.687
flat angles P-C4'-P energy: -12.589
tors. eta vs tors. theta energy: -17.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 34
Temperature: 1.200000
Total energy: -141.571461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.571461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.571461 (E_RNA)
where:
Base-Base interactions energy: -72.609
where: short stacking energy: -47.002
Base-Backbone interact. energy: -0.799
local terms energy: -68.163767
where:
bonds (distance) C4'-P energy: -18.556
bonds (distance) P-C4' energy: -21.306
flat angles C4'-P-C4' energy: -11.360
flat angles P-C4'-P energy: -11.524
tors. eta vs tors. theta energy: -5.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 34
Temperature: 1.250000
Total energy: -109.145606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.145606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.145606 (E_RNA)
where:
Base-Base interactions energy: -42.192
where: short stacking energy: -42.052
Base-Backbone interact. energy: -0.204
local terms energy: -66.749068
where:
bonds (distance) C4'-P energy: -14.814
bonds (distance) P-C4' energy: -12.625
flat angles C4'-P-C4' energy: -16.750
flat angles P-C4'-P energy: -15.046
tors. eta vs tors. theta energy: -7.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 34
Temperature: 1.300000
Total energy: -98.438901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.438901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.438901 (E_RNA)
where:
Base-Base interactions energy: -33.530
where: short stacking energy: -29.966
Base-Backbone interact. energy: -0.159
local terms energy: -64.749906
where:
bonds (distance) C4'-P energy: -13.844
bonds (distance) P-C4' energy: -18.363
flat angles C4'-P-C4' energy: -20.117
flat angles P-C4'-P energy: -8.166
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: 9
=====================================
Write number: 34
Temperature: 1.350000
Total energy: -91.881817 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.881817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.881817 (E_RNA)
where:
Base-Base interactions energy: -37.176
where: short stacking energy: -28.351
Base-Backbone interact. energy: -0.016
local terms energy: -54.690239
where:
bonds (distance) C4'-P energy: -18.615
bonds (distance) P-C4' energy: -16.782
flat angles C4'-P-C4' energy: -10.506
flat angles P-C4'-P energy: -6.673
tors. eta vs tors. theta energy: -2.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 35
Temperature: 0.900000
Total energy: -295.449966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.449966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.449966 (E_RNA)
where:
Base-Base interactions energy: -199.567
where: short stacking energy: -81.846
Base-Backbone interact. energy: -3.634
local terms energy: -92.249210
where:
bonds (distance) C4'-P energy: -17.852
bonds (distance) P-C4' energy: -17.590
flat angles C4'-P-C4' energy: -19.485
flat angles P-C4'-P energy: -13.447
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: 2, replica: 2
=====================================
Write number: 35
Temperature: 0.950000
Total energy: -280.704377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.704377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.704377 (E_RNA)
where:
Base-Base interactions energy: -194.061
where: short stacking energy: -85.708
Base-Backbone interact. energy: -0.035
local terms energy: -86.608924
where:
bonds (distance) C4'-P energy: -15.936
bonds (distance) P-C4' energy: -17.450
flat angles C4'-P-C4' energy: -17.928
flat angles P-C4'-P energy: -11.833
tors. eta vs tors. theta energy: -23.462
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: 3, replica: 10
=====================================
Write number: 35
Temperature: 1.000000
Total energy: -275.119291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.119291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.119291 (E_RNA)
where:
Base-Base interactions energy: -182.290
where: short stacking energy: -76.796
Base-Backbone interact. energy: -0.071
local terms energy: -92.758400
where:
bonds (distance) C4'-P energy: -16.934
bonds (distance) P-C4' energy: -20.556
flat angles C4'-P-C4' energy: -20.334
flat angles P-C4'-P energy: -8.587
tors. eta vs tors. theta energy: -26.347
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: 4, replica: 7
=====================================
Write number: 35
Temperature: 1.050000
Total energy: -231.283088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.283088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.283088 (E_RNA)
where:
Base-Base interactions energy: -154.994
where: short stacking energy: -59.942
Base-Backbone interact. energy: -0.358
local terms energy: -75.931115
where:
bonds (distance) C4'-P energy: -11.564
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -16.697
flat angles P-C4'-P energy: -9.032
tors. eta vs tors. theta energy: -21.091
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: 35
Temperature: 1.100000
Total energy: -195.297990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.297990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.297990 (E_RNA)
where:
Base-Base interactions energy: -130.154
where: short stacking energy: -47.487
Base-Backbone interact. energy: -0.607
local terms energy: -64.536712
where:
bonds (distance) C4'-P energy: -16.283
bonds (distance) P-C4' energy: -14.941
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -10.662
tors. eta vs tors. theta energy: -8.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 35
Temperature: 1.150000
Total energy: -201.299368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.299368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.299368 (E_RNA)
where:
Base-Base interactions energy: -125.784
where: short stacking energy: -61.802
Base-Backbone interact. energy: -0.021
local terms energy: -75.494878
where:
bonds (distance) C4'-P energy: -16.673
bonds (distance) P-C4' energy: -14.833
flat angles C4'-P-C4' energy: -16.148
flat angles P-C4'-P energy: -11.947
tors. eta vs tors. theta energy: -15.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 35
Temperature: 1.200000
Total energy: -103.972914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.972914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.972914 (E_RNA)
where:
Base-Base interactions energy: -50.063
where: short stacking energy: -29.668
Base-Backbone interact. energy: 1.155
local terms energy: -55.065341
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -19.468
flat angles C4'-P-C4' energy: -12.744
flat angles P-C4'-P energy: -6.102
tors. eta vs tors. theta energy: -1.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 35
Temperature: 1.250000
Total energy: -102.564929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.564929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.564929 (E_RNA)
where:
Base-Base interactions energy: -38.106
where: short stacking energy: -34.969
Base-Backbone interact. energy: 0.371
local terms energy: -64.830025
where:
bonds (distance) C4'-P energy: -16.122
bonds (distance) P-C4' energy: -19.605
flat angles C4'-P-C4' energy: -15.492
flat angles P-C4'-P energy: -12.397
tors. eta vs tors. theta energy: -1.213
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: 9, replica: 8
=====================================
Write number: 35
Temperature: 1.300000
Total energy: -99.330934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.330934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.330934 (E_RNA)
where:
Base-Base interactions energy: -41.621
where: short stacking energy: -36.645
Base-Backbone interact. energy: -0.178
local terms energy: -57.531746
where:
bonds (distance) C4'-P energy: -14.664
bonds (distance) P-C4' energy: -14.808
flat angles C4'-P-C4' energy: -10.959
flat angles P-C4'-P energy: -15.621
tors. eta vs tors. theta energy: -1.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 35
Temperature: 1.350000
Total energy: -94.464711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.464711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.464711 (E_RNA)
where:
Base-Base interactions energy: -44.456
where: short stacking energy: -15.233
Base-Backbone interact. energy: 2.450
local terms energy: -52.458807
where:
bonds (distance) C4'-P energy: -15.530
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -14.483
flat angles P-C4'-P energy: -8.146
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: 5
=====================================
Write number: 36
Temperature: 0.900000
Total energy: -286.352957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.352957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.352957 (E_RNA)
where:
Base-Base interactions energy: -197.319
where: short stacking energy: -78.965
Base-Backbone interact. energy: -0.100
local terms energy: -88.934261
where:
bonds (distance) C4'-P energy: -16.946
bonds (distance) P-C4' energy: -20.215
flat angles C4'-P-C4' energy: -17.334
flat angles P-C4'-P energy: -15.628
tors. eta vs tors. theta energy: -18.811
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 36
Temperature: 0.950000
Total energy: -277.782935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.782935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.782935 (E_RNA)
where:
Base-Base interactions energy: -184.264
where: short stacking energy: -76.885
Base-Backbone interact. energy: -0.804
local terms energy: -92.715025
where:
bonds (distance) C4'-P energy: -16.425
bonds (distance) P-C4' energy: -18.594
flat angles C4'-P-C4' energy: -20.427
flat angles P-C4'-P energy: -13.356
tors. eta vs tors. theta energy: -23.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 36
Temperature: 1.000000
Total energy: -276.295457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.295457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.295457 (E_RNA)
where:
Base-Base interactions energy: -188.182
where: short stacking energy: -79.440
Base-Backbone interact. energy: -1.400
local terms energy: -86.713182
where:
bonds (distance) C4'-P energy: -16.374
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -15.383
flat angles P-C4'-P energy: -11.967
tors. eta vs tors. theta energy: -26.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 36
Temperature: 1.050000
Total energy: -231.493417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.493417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.493417 (E_RNA)
where:
Base-Base interactions energy: -152.850
where: short stacking energy: -69.626
Base-Backbone interact. energy: -1.086
local terms energy: -77.556818
where:
bonds (distance) C4'-P energy: -16.437
bonds (distance) P-C4' energy: -13.257
flat angles C4'-P-C4' energy: -21.958
flat angles P-C4'-P energy: -7.534
tors. eta vs tors. theta energy: -18.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 36
Temperature: 1.100000
Total energy: -202.442865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.442865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.442865 (E_RNA)
where:
Base-Base interactions energy: -125.257
where: short stacking energy: -54.624
Base-Backbone interact. energy: -0.336
local terms energy: -76.850305
where:
bonds (distance) C4'-P energy: -15.389
bonds (distance) P-C4' energy: -15.725
flat angles C4'-P-C4' energy: -19.280
flat angles P-C4'-P energy: -12.330
tors. eta vs tors. theta energy: -14.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 36
Temperature: 1.150000
Total energy: -180.842140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.842140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.842140 (E_RNA)
where:
Base-Base interactions energy: -115.986
where: short stacking energy: -45.349
Base-Backbone interact. energy: -0.050
local terms energy: -64.806695
where:
bonds (distance) C4'-P energy: -16.227
bonds (distance) P-C4' energy: -16.952
flat angles C4'-P-C4' energy: -15.397
flat angles P-C4'-P energy: -7.930
tors. eta vs tors. theta energy: -8.301
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 36
Temperature: 1.200000
Total energy: -109.984947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.984947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.984947 (E_RNA)
where:
Base-Base interactions energy: -41.895
where: short stacking energy: -40.615
Base-Backbone interact. energy: 3.604
local terms energy: -71.693219
where:
bonds (distance) C4'-P energy: -18.673
bonds (distance) P-C4' energy: -17.655
flat angles C4'-P-C4' energy: -18.212
flat angles P-C4'-P energy: -7.207
tors. eta vs tors. theta energy: -9.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 36
Temperature: 1.250000
Total energy: -92.703735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.703735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.703735 (E_RNA)
where:
Base-Base interactions energy: -41.692
where: short stacking energy: -24.442
Base-Backbone interact. energy: 1.574
local terms energy: -52.585512
where:
bonds (distance) C4'-P energy: -12.006
bonds (distance) P-C4' energy: -19.553
flat angles C4'-P-C4' energy: -11.470
flat angles P-C4'-P energy: -7.535
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: 9, replica: 9
=====================================
Write number: 36
Temperature: 1.300000
Total energy: -103.171476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.171476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.171476 (E_RNA)
where:
Base-Base interactions energy: -57.316
where: short stacking energy: -20.881
Base-Backbone interact. energy: -0.403
local terms energy: -45.451530
where:
bonds (distance) C4'-P energy: -15.397
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -8.092
flat angles P-C4'-P energy: -6.413
tors. eta vs tors. theta energy: -0.570
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: 8
=====================================
Write number: 36
Temperature: 1.350000
Total energy: -88.735516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.735516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.735516 (E_RNA)
where:
Base-Base interactions energy: -32.593
where: short stacking energy: -29.743
Base-Backbone interact. energy: -0.324
local terms energy: -55.819017
where:
bonds (distance) C4'-P energy: -16.759
bonds (distance) P-C4' energy: -15.979
flat angles C4'-P-C4' energy: -13.669
flat angles P-C4'-P energy: -6.371
tors. eta vs tors. theta energy: -3.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 37
Temperature: 0.900000
Total energy: -285.513934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.513934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.513934 (E_RNA)
where:
Base-Base interactions energy: -200.059
where: short stacking energy: -79.897
Base-Backbone interact. energy: -0.077
local terms energy: -85.378503
where:
bonds (distance) C4'-P energy: -13.951
bonds (distance) P-C4' energy: -14.546
flat angles C4'-P-C4' energy: -18.532
flat angles P-C4'-P energy: -12.892
tors. eta vs tors. theta energy: -25.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 37
Temperature: 0.950000
Total energy: -266.324824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.324824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.324824 (E_RNA)
where:
Base-Base interactions energy: -186.348
where: short stacking energy: -67.266
Base-Backbone interact. energy: -0.326
local terms energy: -79.651176
where:
bonds (distance) C4'-P energy: -13.465
bonds (distance) P-C4' energy: -18.146
flat angles C4'-P-C4' energy: -17.266
flat angles P-C4'-P energy: -11.860
tors. eta vs tors. theta energy: -18.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 37
Temperature: 1.000000
Total energy: -280.144926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.144926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.144926 (E_RNA)
where:
Base-Base interactions energy: -189.554
where: short stacking energy: -76.648
Base-Backbone interact. energy: -0.339
local terms energy: -90.251765
where:
bonds (distance) C4'-P energy: -17.335
bonds (distance) P-C4' energy: -16.090
flat angles C4'-P-C4' energy: -17.738
flat angles P-C4'-P energy: -14.305
tors. eta vs tors. theta energy: -24.784
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: 7
=====================================
Write number: 37
Temperature: 1.050000
Total energy: -229.024667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -229.024667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -229.024667 (E_RNA)
where:
Base-Base interactions energy: -153.283
where: short stacking energy: -59.945
Base-Backbone interact. energy: -0.128
local terms energy: -75.613957
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -17.523
flat angles C4'-P-C4' energy: -17.683
flat angles P-C4'-P energy: -9.230
tors. eta vs tors. theta energy: -14.976
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: 37
Temperature: 1.100000
Total energy: -212.047897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.047897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.047897 (E_RNA)
where:
Base-Base interactions energy: -138.758
where: short stacking energy: -57.181
Base-Backbone interact. energy: -0.861
local terms energy: -72.428172
where:
bonds (distance) C4'-P energy: -14.056
bonds (distance) P-C4' energy: -15.419
flat angles C4'-P-C4' energy: -13.827
flat angles P-C4'-P energy: -9.414
tors. eta vs tors. theta energy: -19.712
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: 3
=====================================
Write number: 37
Temperature: 1.150000
Total energy: -183.970657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.970657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.970657 (E_RNA)
where:
Base-Base interactions energy: -116.920
where: short stacking energy: -57.031
Base-Backbone interact. energy: -0.890
local terms energy: -66.160796
where:
bonds (distance) C4'-P energy: -12.831
bonds (distance) P-C4' energy: -11.754
flat angles C4'-P-C4' energy: -17.731
flat angles P-C4'-P energy: -12.621
tors. eta vs tors. theta energy: -11.225
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: 6
=====================================
Write number: 37
Temperature: 1.200000
Total energy: -160.556839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.556839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.556839 (E_RNA)
where:
Base-Base interactions energy: -97.159
where: short stacking energy: -48.105
Base-Backbone interact. energy: -0.239
local terms energy: -63.158684
where:
bonds (distance) C4'-P energy: -17.262
bonds (distance) P-C4' energy: -14.300
flat angles C4'-P-C4' energy: -11.314
flat angles P-C4'-P energy: -14.083
tors. eta vs tors. theta energy: -6.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 37
Temperature: 1.250000
Total energy: -97.656861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.656861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.656861 (E_RNA)
where:
Base-Base interactions energy: -44.766
where: short stacking energy: -24.430
Base-Backbone interact. energy: 1.921
local terms energy: -54.811305
where:
bonds (distance) C4'-P energy: -12.306
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -16.600
flat angles P-C4'-P energy: -11.738
tors. eta vs tors. theta energy: 2.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 37
Temperature: 1.300000
Total energy: -107.749485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.749485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.749485 (E_RNA)
where:
Base-Base interactions energy: -56.639
where: short stacking energy: -30.979
Base-Backbone interact. energy: 6.672
local terms energy: -57.783134
where:
bonds (distance) C4'-P energy: -16.590
bonds (distance) P-C4' energy: -14.752
flat angles C4'-P-C4' energy: -13.116
flat angles P-C4'-P energy: -11.047
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: 37
Temperature: 1.350000
Total energy: -84.527653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.527653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.527653 (E_RNA)
where:
Base-Base interactions energy: -29.980
where: short stacking energy: -29.980
Base-Backbone interact. energy: -0.163
local terms energy: -54.384191
where:
bonds (distance) C4'-P energy: -13.944
bonds (distance) P-C4' energy: -14.705
flat angles C4'-P-C4' energy: -11.321
flat angles P-C4'-P energy: -12.056
tors. eta vs tors. theta energy: -2.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 38
Temperature: 0.900000
Total energy: -287.704087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.704087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.704087 (E_RNA)
where:
Base-Base interactions energy: -195.938
where: short stacking energy: -77.405
Base-Backbone interact. energy: -0.132
local terms energy: -91.633677
where:
bonds (distance) C4'-P energy: -17.711
bonds (distance) P-C4' energy: -18.048
flat angles C4'-P-C4' energy: -19.408
flat angles P-C4'-P energy: -14.248
tors. eta vs tors. theta energy: -22.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 38
Temperature: 0.950000
Total energy: -279.141636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.141636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.141636 (E_RNA)
where:
Base-Base interactions energy: -187.711
where: short stacking energy: -75.022
Base-Backbone interact. energy: -0.648
local terms energy: -90.782268
where:
bonds (distance) C4'-P energy: -17.481
bonds (distance) P-C4' energy: -18.601
flat angles C4'-P-C4' energy: -18.660
flat angles P-C4'-P energy: -15.372
tors. eta vs tors. theta energy: -20.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 38
Temperature: 1.000000
Total energy: -283.775644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.775644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.775644 (E_RNA)
where:
Base-Base interactions energy: -191.306
where: short stacking energy: -78.697
Base-Backbone interact. energy: 0.318
local terms energy: -92.786831
where:
bonds (distance) C4'-P energy: -16.764
bonds (distance) P-C4' energy: -20.197
flat angles C4'-P-C4' energy: -17.962
flat angles P-C4'-P energy: -10.314
tors. eta vs tors. theta energy: -27.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 38
Temperature: 1.050000
Total energy: -237.549732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.549732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.549732 (E_RNA)
where:
Base-Base interactions energy: -161.529
where: short stacking energy: -61.293
Base-Backbone interact. energy: -1.422
local terms energy: -74.599176
where:
bonds (distance) C4'-P energy: -12.704
bonds (distance) P-C4' energy: -19.774
flat angles C4'-P-C4' energy: -14.925
flat angles P-C4'-P energy: -9.493
tors. eta vs tors. theta energy: -17.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 38
Temperature: 1.100000
Total energy: -209.291402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.291402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.291402 (E_RNA)
where:
Base-Base interactions energy: -133.028
where: short stacking energy: -60.682
Base-Backbone interact. energy: -0.023
local terms energy: -76.240619
where:
bonds (distance) C4'-P energy: -16.204
bonds (distance) P-C4' energy: -15.014
flat angles C4'-P-C4' energy: -11.883
flat angles P-C4'-P energy: -14.533
tors. eta vs tors. theta energy: -18.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 38
Temperature: 1.150000
Total energy: -193.879841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.879841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.879841 (E_RNA)
where:
Base-Base interactions energy: -127.435
where: short stacking energy: -47.477
Base-Backbone interact. energy: -0.176
local terms energy: -66.269382
where:
bonds (distance) C4'-P energy: -12.313
bonds (distance) P-C4' energy: -17.341
flat angles C4'-P-C4' energy: -11.820
flat angles P-C4'-P energy: -15.656
tors. eta vs tors. theta energy: -9.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 38
Temperature: 1.200000
Total energy: -181.376099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.376099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.376099 (E_RNA)
where:
Base-Base interactions energy: -115.750
where: short stacking energy: -52.615
Base-Backbone interact. energy: -0.935
local terms energy: -64.690924
where:
bonds (distance) C4'-P energy: -17.891
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -10.323
flat angles P-C4'-P energy: -13.006
tors. eta vs tors. theta energy: -9.045
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: 4
=====================================
Write number: 38
Temperature: 1.250000
Total energy: -107.388309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.388309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.388309 (E_RNA)
where:
Base-Base interactions energy: -47.456
where: short stacking energy: -27.124
Base-Backbone interact. energy: 2.234
local terms energy: -62.166049
where:
bonds (distance) C4'-P energy: -17.979
bonds (distance) P-C4' energy: -18.146
flat angles C4'-P-C4' energy: -13.679
flat angles P-C4'-P energy: -8.756
tors. eta vs tors. theta energy: -3.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 38
Temperature: 1.300000
Total energy: -104.626421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.626421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.626421 (E_RNA)
where:
Base-Base interactions energy: -39.320
where: short stacking energy: -39.320
Base-Backbone interact. energy: -0.071
local terms energy: -65.234647
where:
bonds (distance) C4'-P energy: -14.643
bonds (distance) P-C4' energy: -15.704
flat angles C4'-P-C4' energy: -16.575
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -8.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 38
Temperature: 1.350000
Total energy: -94.072529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.072529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.072529 (E_RNA)
where:
Base-Base interactions energy: -30.433
where: short stacking energy: -27.464
Base-Backbone interact. energy: 0.073
local terms energy: -63.712600
where:
bonds (distance) C4'-P energy: -17.123
bonds (distance) P-C4' energy: -19.288
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -9.669
tors. eta vs tors. theta energy: -1.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 39
Temperature: 0.900000
Total energy: -285.496304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.496304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.496304 (E_RNA)
where:
Base-Base interactions energy: -198.933
where: short stacking energy: -79.090
Base-Backbone interact. energy: -0.695
local terms energy: -85.867883
where:
bonds (distance) C4'-P energy: -16.360
bonds (distance) P-C4' energy: -16.113
flat angles C4'-P-C4' energy: -15.570
flat angles P-C4'-P energy: -12.718
tors. eta vs tors. theta energy: -25.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 39
Temperature: 0.950000
Total energy: -282.680726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.680726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.680726 (E_RNA)
where:
Base-Base interactions energy: -192.270
where: short stacking energy: -79.259
Base-Backbone interact. energy: -0.468
local terms energy: -89.942778
where:
bonds (distance) C4'-P energy: -18.066
bonds (distance) P-C4' energy: -17.751
flat angles C4'-P-C4' energy: -18.073
flat angles P-C4'-P energy: -10.729
tors. eta vs tors. theta energy: -25.324
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: 3, replica: 10
=====================================
Write number: 39
Temperature: 1.000000
Total energy: -281.989829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.989829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.989829 (E_RNA)
where:
Base-Base interactions energy: -196.298
where: short stacking energy: -73.220
Base-Backbone interact. energy: -0.041
local terms energy: -85.651101
where:
bonds (distance) C4'-P energy: -16.043
bonds (distance) P-C4' energy: -18.359
flat angles C4'-P-C4' energy: -17.194
flat angles P-C4'-P energy: -11.536
tors. eta vs tors. theta energy: -22.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 39
Temperature: 1.050000
Total energy: -227.203317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.203317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.203317 (E_RNA)
where:
Base-Base interactions energy: -152.423
where: short stacking energy: -67.794
Base-Backbone interact. energy: -0.940
local terms energy: -73.840393
where:
bonds (distance) C4'-P energy: -16.810
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -9.734
tors. eta vs tors. theta energy: -15.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 39
Temperature: 1.100000
Total energy: -216.872313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.872313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.872313 (E_RNA)
where:
Base-Base interactions energy: -147.126
where: short stacking energy: -60.610
Base-Backbone interact. energy: 1.336
local terms energy: -71.082277
where:
bonds (distance) C4'-P energy: -14.189
bonds (distance) P-C4' energy: -14.085
flat angles C4'-P-C4' energy: -18.093
flat angles P-C4'-P energy: -10.327
tors. eta vs tors. theta energy: -14.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 39
Temperature: 1.150000
Total energy: -185.297523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.297523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.297523 (E_RNA)
where:
Base-Base interactions energy: -106.241
where: short stacking energy: -48.694
Base-Backbone interact. energy: -0.021
local terms energy: -79.035583
where:
bonds (distance) C4'-P energy: -20.618
bonds (distance) P-C4' energy: -18.062
flat angles C4'-P-C4' energy: -16.939
flat angles P-C4'-P energy: -13.381
tors. eta vs tors. theta energy: -10.036
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: 39
Temperature: 1.200000
Total energy: -185.476198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.476198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.476198 (E_RNA)
where:
Base-Base interactions energy: -113.264
where: short stacking energy: -59.400
Base-Backbone interact. energy: 0.012
local terms energy: -72.224334
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -19.856
flat angles C4'-P-C4' energy: -14.326
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: -13.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 39
Temperature: 1.250000
Total energy: -102.453275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.453275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.453275 (E_RNA)
where:
Base-Base interactions energy: -44.474
where: short stacking energy: -44.474
Base-Backbone interact. energy: -0.070
local terms energy: -57.909678
where:
bonds (distance) C4'-P energy: -17.966
bonds (distance) P-C4' energy: -11.073
flat angles C4'-P-C4' energy: -14.797
flat angles P-C4'-P energy: -9.864
tors. eta vs tors. theta energy: -4.209
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 39
Temperature: 1.300000
Total energy: -92.225603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.225603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.225603 (E_RNA)
where:
Base-Base interactions energy: -28.780
where: short stacking energy: -27.050
Base-Backbone interact. energy: -0.298
local terms energy: -63.148010
where:
bonds (distance) C4'-P energy: -10.454
bonds (distance) P-C4' energy: -19.119
flat angles C4'-P-C4' energy: -13.843
flat angles P-C4'-P energy: -11.168
tors. eta vs tors. theta energy: -8.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 39
Temperature: 1.350000
Total energy: -91.509925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.509925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.509925 (E_RNA)
where:
Base-Base interactions energy: -30.912
where: short stacking energy: -26.592
Base-Backbone interact. energy: -1.228
local terms energy: -59.370051
where:
bonds (distance) C4'-P energy: -16.708
bonds (distance) P-C4' energy: -18.342
flat angles C4'-P-C4' energy: -14.781
flat angles P-C4'-P energy: -7.861
tors. eta vs tors. theta energy: -1.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 40
Temperature: 0.900000
Total energy: -282.022337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.022337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.022337 (E_RNA)
where:
Base-Base interactions energy: -195.458
where: short stacking energy: -87.582
Base-Backbone interact. energy: -0.576
local terms energy: -85.988532
where:
bonds (distance) C4'-P energy: -19.492
bonds (distance) P-C4' energy: -12.546
flat angles C4'-P-C4' energy: -17.673
flat angles P-C4'-P energy: -13.323
tors. eta vs tors. theta energy: -22.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 40
Temperature: 0.950000
Total energy: -278.601561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.601561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.601561 (E_RNA)
where:
Base-Base interactions energy: -188.453
where: short stacking energy: -77.685
Base-Backbone interact. energy: -2.241
local terms energy: -87.907245
where:
bonds (distance) C4'-P energy: -14.831
bonds (distance) P-C4' energy: -18.537
flat angles C4'-P-C4' energy: -17.384
flat angles P-C4'-P energy: -14.456
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: 10
=====================================
Write number: 40
Temperature: 1.000000
Total energy: -280.771793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.771793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.771793 (E_RNA)
where:
Base-Base interactions energy: -192.500
where: short stacking energy: -76.722
Base-Backbone interact. energy: -0.726
local terms energy: -87.545502
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -20.155
flat angles C4'-P-C4' energy: -15.186
flat angles P-C4'-P energy: -15.079
tors. eta vs tors. theta energy: -21.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 40
Temperature: 1.050000
Total energy: -220.631880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.631880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.631880 (E_RNA)
where:
Base-Base interactions energy: -142.438
where: short stacking energy: -60.609
Base-Backbone interact. energy: -0.553
local terms energy: -77.640883
where:
bonds (distance) C4'-P energy: -15.723
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -15.633
flat angles P-C4'-P energy: -10.392
tors. eta vs tors. theta energy: -19.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 40
Temperature: 1.100000
Total energy: -212.152898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.152898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.152898 (E_RNA)
where:
Base-Base interactions energy: -136.349
where: short stacking energy: -47.384
Base-Backbone interact. energy: -1.000
local terms energy: -74.803210
where:
bonds (distance) C4'-P energy: -16.594
bonds (distance) P-C4' energy: -17.111
flat angles C4'-P-C4' energy: -17.551
flat angles P-C4'-P energy: -11.876
tors. eta vs tors. theta energy: -11.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 40
Temperature: 1.150000
Total energy: -243.490347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.490347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.490347 (E_RNA)
where:
Base-Base interactions energy: -167.459
where: short stacking energy: -65.951
Base-Backbone interact. energy: -0.067
local terms energy: -75.963895
where:
bonds (distance) C4'-P energy: -13.698
bonds (distance) P-C4' energy: -11.435
flat angles C4'-P-C4' energy: -15.272
flat angles P-C4'-P energy: -14.147
tors. eta vs tors. theta energy: -21.412
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 40
Temperature: 1.200000
Total energy: -187.451279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.451279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.451279 (E_RNA)
where:
Base-Base interactions energy: -109.243
where: short stacking energy: -49.307
Base-Backbone interact. energy: -1.567
local terms energy: -76.641307
where:
bonds (distance) C4'-P energy: -15.831
bonds (distance) P-C4' energy: -14.333
flat angles C4'-P-C4' energy: -17.988
flat angles P-C4'-P energy: -13.241
tors. eta vs tors. theta energy: -15.248
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: 8
=====================================
Write number: 40
Temperature: 1.250000
Total energy: -174.323080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.323080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.323080 (E_RNA)
where:
Base-Base interactions energy: -103.993
where: short stacking energy: -47.320
Base-Backbone interact. energy: -0.073
local terms energy: -70.257190
where:
bonds (distance) C4'-P energy: -16.995
bonds (distance) P-C4' energy: -20.820
flat angles C4'-P-C4' energy: -12.390
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -10.044
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: 9
=====================================
Write number: 40
Temperature: 1.300000
Total energy: -89.251898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.251898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.251898 (E_RNA)
where:
Base-Base interactions energy: -33.806
where: short stacking energy: -33.806
Base-Backbone interact. energy: -0.611
local terms energy: -54.835142
where:
bonds (distance) C4'-P energy: -8.161
bonds (distance) P-C4' energy: -17.738
flat angles C4'-P-C4' energy: -15.843
flat angles P-C4'-P energy: -8.767
tors. eta vs tors. theta energy: -4.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 40
Temperature: 1.350000
Total energy: -92.581346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.581346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.581346 (E_RNA)
where:
Base-Base interactions energy: -36.068
where: short stacking energy: -29.779
Base-Backbone interact. energy: -0.396
local terms energy: -56.117516
where:
bonds (distance) C4'-P energy: -10.486
bonds (distance) P-C4' energy: -15.901
flat angles C4'-P-C4' energy: -16.021
flat angles P-C4'-P energy: -9.529
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: 2
=====================================
Write number: 41
Temperature: 0.900000
Total energy: -284.270271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.270271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.270271 (E_RNA)
where:
Base-Base interactions energy: -184.057
where: short stacking energy: -79.992
Base-Backbone interact. energy: -0.063
local terms energy: -100.150731
where:
bonds (distance) C4'-P energy: -17.944
bonds (distance) P-C4' energy: -18.950
flat angles C4'-P-C4' energy: -21.657
flat angles P-C4'-P energy: -16.797
tors. eta vs tors. theta energy: -24.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 41
Temperature: 0.950000
Total energy: -289.186716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.186716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.186716 (E_RNA)
where:
Base-Base interactions energy: -198.533
where: short stacking energy: -75.019
Base-Backbone interact. energy: -0.069
local terms energy: -90.584607
where:
bonds (distance) C4'-P energy: -16.080
bonds (distance) P-C4' energy: -17.311
flat angles C4'-P-C4' energy: -18.337
flat angles P-C4'-P energy: -14.762
tors. eta vs tors. theta energy: -24.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 41
Temperature: 1.000000
Total energy: -270.719603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.719603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.719603 (E_RNA)
where:
Base-Base interactions energy: -182.211
where: short stacking energy: -78.074
Base-Backbone interact. energy: -0.364
local terms energy: -88.144285
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -19.024
flat angles C4'-P-C4' energy: -19.789
flat angles P-C4'-P energy: -10.096
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: 4, replica: 6
=====================================
Write number: 41
Temperature: 1.050000
Total energy: -225.510139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.510139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.510139 (E_RNA)
where:
Base-Base interactions energy: -150.373
where: short stacking energy: -58.636
Base-Backbone interact. energy: -1.333
local terms energy: -73.803848
where:
bonds (distance) C4'-P energy: -14.214
bonds (distance) P-C4' energy: -18.935
flat angles C4'-P-C4' energy: -15.161
flat angles P-C4'-P energy: -12.159
tors. eta vs tors. theta energy: -13.334
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: 1
=====================================
Write number: 41
Temperature: 1.100000
Total energy: -215.238473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.238473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.238473 (E_RNA)
where:
Base-Base interactions energy: -134.306
where: short stacking energy: -63.995
Base-Backbone interact. energy: -0.786
local terms energy: -80.146347
where:
bonds (distance) C4'-P energy: -11.916
bonds (distance) P-C4' energy: -16.361
flat angles C4'-P-C4' energy: -19.933
flat angles P-C4'-P energy: -13.943
tors. eta vs tors. theta energy: -17.993
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: 7
=====================================
Write number: 41
Temperature: 1.150000
Total energy: -266.183658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.183658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.183658 (E_RNA)
where:
Base-Base interactions energy: -186.551
where: short stacking energy: -82.363
Base-Backbone interact. energy: -0.759
local terms energy: -78.873157
where:
bonds (distance) C4'-P energy: -11.919
bonds (distance) P-C4' energy: -18.599
flat angles C4'-P-C4' energy: -16.335
flat angles P-C4'-P energy: -9.458
tors. eta vs tors. theta energy: -22.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 41
Temperature: 1.200000
Total energy: -189.176496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.176496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.176496 (E_RNA)
where:
Base-Base interactions energy: -120.957
where: short stacking energy: -55.435
Base-Backbone interact. energy: -0.225
local terms energy: -67.994435
where:
bonds (distance) C4'-P energy: -16.329
bonds (distance) P-C4' energy: -18.795
flat angles C4'-P-C4' energy: -10.804
flat angles P-C4'-P energy: -8.816
tors. eta vs tors. theta energy: -13.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 41
Temperature: 1.250000
Total energy: -172.590358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.590358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.590358 (E_RNA)
where:
Base-Base interactions energy: -111.278
where: short stacking energy: -48.453
Base-Backbone interact. energy: -0.139
local terms energy: -61.173971
where:
bonds (distance) C4'-P energy: -15.210
bonds (distance) P-C4' energy: -17.103
flat angles C4'-P-C4' energy: -9.049
flat angles P-C4'-P energy: -9.312
tors. eta vs tors. theta energy: -10.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 41
Temperature: 1.300000
Total energy: -91.348114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.348114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.348114 (E_RNA)
where:
Base-Base interactions energy: -36.083
where: short stacking energy: -30.874
Base-Backbone interact. energy: -0.204
local terms energy: -55.060480
where:
bonds (distance) C4'-P energy: -16.011
bonds (distance) P-C4' energy: -11.737
flat angles C4'-P-C4' energy: -16.503
flat angles P-C4'-P energy: -7.565
tors. eta vs tors. theta energy: -3.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 41
Temperature: 1.350000
Total energy: -87.858729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.858729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.858729 (E_RNA)
where:
Base-Base interactions energy: -28.563
where: short stacking energy: -26.868
Base-Backbone interact. energy: -0.329
local terms energy: -58.966656
where:
bonds (distance) C4'-P energy: -13.534
bonds (distance) P-C4' energy: -14.959
flat angles C4'-P-C4' energy: -17.989
flat angles P-C4'-P energy: -6.765
tors. eta vs tors. theta energy: -5.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 42
Temperature: 0.900000
Total energy: -286.269475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.269475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.269475 (E_RNA)
where:
Base-Base interactions energy: -203.891
where: short stacking energy: -83.734
Base-Backbone interact. energy: -0.104
local terms energy: -82.273992
where:
bonds (distance) C4'-P energy: -17.144
bonds (distance) P-C4' energy: -13.091
flat angles C4'-P-C4' energy: -15.435
flat angles P-C4'-P energy: -13.519
tors. eta vs tors. theta energy: -23.085
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: 2, replica: 2
=====================================
Write number: 42
Temperature: 0.950000
Total energy: -282.666501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.666501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.666501 (E_RNA)
where:
Base-Base interactions energy: -196.620
where: short stacking energy: -75.931
Base-Backbone interact. energy: -0.181
local terms energy: -85.865511
where:
bonds (distance) C4'-P energy: -16.238
bonds (distance) P-C4' energy: -18.967
flat angles C4'-P-C4' energy: -18.904
flat angles P-C4'-P energy: -13.435
tors. eta vs tors. theta energy: -18.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 42
Temperature: 1.000000
Total energy: -235.051008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.051008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.051008 (E_RNA)
where:
Base-Base interactions energy: -153.776
where: short stacking energy: -56.531
Base-Backbone interact. energy: 0.137
local terms energy: -81.411159
where:
bonds (distance) C4'-P energy: -18.855
bonds (distance) P-C4' energy: -18.375
flat angles C4'-P-C4' energy: -21.024
flat angles P-C4'-P energy: -8.928
tors. eta vs tors. theta energy: -14.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 42
Temperature: 1.050000
Total energy: -264.892916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.892916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.892916 (E_RNA)
where:
Base-Base interactions energy: -177.869
where: short stacking energy: -76.779
Base-Backbone interact. energy: -0.280
local terms energy: -86.743425
where:
bonds (distance) C4'-P energy: -14.959
bonds (distance) P-C4' energy: -15.925
flat angles C4'-P-C4' energy: -16.533
flat angles P-C4'-P energy: -14.231
tors. eta vs tors. theta energy: -25.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 42
Temperature: 1.100000
Total energy: -273.504732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.504732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.504732 (E_RNA)
where:
Base-Base interactions energy: -184.547
where: short stacking energy: -71.791
Base-Backbone interact. energy: -1.677
local terms energy: -87.281138
where:
bonds (distance) C4'-P energy: -13.037
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -20.704
flat angles P-C4'-P energy: -11.313
tors. eta vs tors. theta energy: -24.444
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: 42
Temperature: 1.150000
Total energy: -201.938268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.938268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.938268 (E_RNA)
where:
Base-Base interactions energy: -124.491
where: short stacking energy: -65.187
Base-Backbone interact. energy: 1.991
local terms energy: -79.438242
where:
bonds (distance) C4'-P energy: -10.095
bonds (distance) P-C4' energy: -14.057
flat angles C4'-P-C4' energy: -21.063
flat angles P-C4'-P energy: -15.844
tors. eta vs tors. theta energy: -18.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 42
Temperature: 1.200000
Total energy: -169.814763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.814763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.814763 (E_RNA)
where:
Base-Base interactions energy: -97.089
where: short stacking energy: -39.819
Base-Backbone interact. energy: -0.138
local terms energy: -72.587886
where:
bonds (distance) C4'-P energy: -19.107
bonds (distance) P-C4' energy: -19.478
flat angles C4'-P-C4' energy: -16.125
flat angles P-C4'-P energy: -11.360
tors. eta vs tors. theta energy: -6.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 3
=====================================
Write number: 42
Temperature: 1.250000
Total energy: -158.953902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.953902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.953902 (E_RNA)
where:
Base-Base interactions energy: -87.565
where: short stacking energy: -44.521
Base-Backbone interact. energy: -0.038
local terms energy: -71.350887
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -17.707
flat angles C4'-P-C4' energy: -14.626
flat angles P-C4'-P energy: -12.668
tors. eta vs tors. theta energy: -10.816
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: 4
=====================================
Write number: 42
Temperature: 1.300000
Total energy: -88.108046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.108046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.108046 (E_RNA)
where:
Base-Base interactions energy: -31.184
where: short stacking energy: -30.434
Base-Backbone interact. energy: 0.499
local terms energy: -57.422998
where:
bonds (distance) C4'-P energy: -16.967
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -12.192
flat angles P-C4'-P energy: -4.909
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: 10, replica: 9
=====================================
Write number: 42
Temperature: 1.350000
Total energy: -82.497602 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.497602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.497602 (E_RNA)
where:
Base-Base interactions energy: -30.952
where: short stacking energy: -30.952
Base-Backbone interact. energy: -0.081
local terms energy: -51.464652
where:
bonds (distance) C4'-P energy: -14.155
bonds (distance) P-C4' energy: -16.154
flat angles C4'-P-C4' energy: -9.220
flat angles P-C4'-P energy: -4.834
tors. eta vs tors. theta energy: -7.101
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: 10
=====================================
Write number: 43
Temperature: 0.900000
Total energy: -291.035245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.035245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.035245 (E_RNA)
where:
Base-Base interactions energy: -192.909
where: short stacking energy: -76.532
Base-Backbone interact. energy: -0.106
local terms energy: -98.020733
where:
bonds (distance) C4'-P energy: -19.086
bonds (distance) P-C4' energy: -20.768
flat angles C4'-P-C4' energy: -20.169
flat angles P-C4'-P energy: -15.992
tors. eta vs tors. theta energy: -22.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 43
Temperature: 0.950000
Total energy: -284.808203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.808203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.808203 (E_RNA)
where:
Base-Base interactions energy: -190.281
where: short stacking energy: -70.945
Base-Backbone interact. energy: -0.066
local terms energy: -94.461770
where:
bonds (distance) C4'-P energy: -18.971
bonds (distance) P-C4' energy: -19.703
flat angles C4'-P-C4' energy: -15.828
flat angles P-C4'-P energy: -14.017
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: 6
=====================================
Write number: 43
Temperature: 1.000000
Total energy: -231.488507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.488507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.488507 (E_RNA)
where:
Base-Base interactions energy: -155.044
where: short stacking energy: -59.870
Base-Backbone interact. energy: -0.471
local terms energy: -75.973793
where:
bonds (distance) C4'-P energy: -14.942
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -18.446
flat angles P-C4'-P energy: -9.433
tors. eta vs tors. theta energy: -15.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 43
Temperature: 1.050000
Total energy: -274.561755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.561755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.561755 (E_RNA)
where:
Base-Base interactions energy: -187.103
where: short stacking energy: -82.816
Base-Backbone interact. energy: -1.157
local terms energy: -86.302347
where:
bonds (distance) C4'-P energy: -15.432
bonds (distance) P-C4' energy: -13.845
flat angles C4'-P-C4' energy: -17.642
flat angles P-C4'-P energy: -17.080
tors. eta vs tors. theta energy: -22.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 43
Temperature: 1.100000
Total energy: -259.975102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.975102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.975102 (E_RNA)
where:
Base-Base interactions energy: -180.068
where: short stacking energy: -66.027
Base-Backbone interact. energy: 0.266
local terms energy: -80.172309
where:
bonds (distance) C4'-P energy: -17.812
bonds (distance) P-C4' energy: -15.711
flat angles C4'-P-C4' energy: -15.561
flat angles P-C4'-P energy: -11.446
tors. eta vs tors. theta energy: -19.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 43
Temperature: 1.150000
Total energy: -195.935820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.935820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.935820 (E_RNA)
where:
Base-Base interactions energy: -125.195
where: short stacking energy: -53.744
Base-Backbone interact. energy: -0.149
local terms energy: -70.592237
where:
bonds (distance) C4'-P energy: -14.396
bonds (distance) P-C4' energy: -14.963
flat angles C4'-P-C4' energy: -18.605
flat angles P-C4'-P energy: -8.735
tors. eta vs tors. theta energy: -13.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 43
Temperature: 1.200000
Total energy: -169.546295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.546295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.546295 (E_RNA)
where:
Base-Base interactions energy: -106.254
where: short stacking energy: -46.103
Base-Backbone interact. energy: -0.129
local terms energy: -63.163469
where:
bonds (distance) C4'-P energy: -16.115
bonds (distance) P-C4' energy: -15.972
flat angles C4'-P-C4' energy: -12.399
flat angles P-C4'-P energy: -12.521
tors. eta vs tors. theta energy: -6.157
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: 8, replica: 3
=====================================
Write number: 43
Temperature: 1.250000
Total energy: -159.056987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.056987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.056987 (E_RNA)
where:
Base-Base interactions energy: -100.791
where: short stacking energy: -46.437
Base-Backbone interact. energy: -0.113
local terms energy: -58.152920
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -15.732
flat angles C4'-P-C4' energy: -13.222
flat angles P-C4'-P energy: -8.462
tors. eta vs tors. theta energy: -4.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 43
Temperature: 1.300000
Total energy: -101.585703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.585703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.585703 (E_RNA)
where:
Base-Base interactions energy: -39.055
where: short stacking energy: -38.590
Base-Backbone interact. energy: -1.109
local terms energy: -61.421195
where:
bonds (distance) C4'-P energy: -19.139
bonds (distance) P-C4' energy: -17.023
flat angles C4'-P-C4' energy: -15.763
flat angles P-C4'-P energy: -4.945
tors. eta vs tors. theta energy: -4.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 43
Temperature: 1.350000
Total energy: -89.380439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.380439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.380439 (E_RNA)
where:
Base-Base interactions energy: -48.283
where: short stacking energy: -37.528
Base-Backbone interact. energy: 0.489
local terms energy: -41.586079
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -15.890
flat angles C4'-P-C4' energy: -7.658
flat angles P-C4'-P energy: 2.522
tors. eta vs tors. theta energy: -4.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 44
Temperature: 0.900000
Total energy: -288.718755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.718755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.718755 (E_RNA)
where:
Base-Base interactions energy: -198.004
where: short stacking energy: -79.759
Base-Backbone interact. energy: -0.104
local terms energy: -90.611022
where:
bonds (distance) C4'-P energy: -16.602
bonds (distance) P-C4' energy: -18.379
flat angles C4'-P-C4' energy: -20.302
flat angles P-C4'-P energy: -13.167
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: 2, replica: 10
=====================================
Write number: 44
Temperature: 0.950000
Total energy: -281.385834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.385834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.385834 (E_RNA)
where:
Base-Base interactions energy: -193.058
where: short stacking energy: -75.909
Base-Backbone interact. energy: -0.438
local terms energy: -87.890488
where:
bonds (distance) C4'-P energy: -17.036
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -15.510
flat angles P-C4'-P energy: -15.131
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: 7
=====================================
Write number: 44
Temperature: 1.000000
Total energy: -279.341124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.341124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.341124 (E_RNA)
where:
Base-Base interactions energy: -189.965
where: short stacking energy: -80.784
Base-Backbone interact. energy: -0.228
local terms energy: -89.149090
where:
bonds (distance) C4'-P energy: -19.507
bonds (distance) P-C4' energy: -12.820
flat angles C4'-P-C4' energy: -19.107
flat angles P-C4'-P energy: -12.000
tors. eta vs tors. theta energy: -25.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 44
Temperature: 1.050000
Total energy: -217.319744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.319744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.319744 (E_RNA)
where:
Base-Base interactions energy: -143.807
where: short stacking energy: -55.853
Base-Backbone interact. energy: -0.041
local terms energy: -73.472424
where:
bonds (distance) C4'-P energy: -11.853
bonds (distance) P-C4' energy: -16.273
flat angles C4'-P-C4' energy: -15.270
flat angles P-C4'-P energy: -13.897
tors. eta vs tors. theta energy: -16.179
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: 5
=====================================
Write number: 44
Temperature: 1.100000
Total energy: -252.369394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.369394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.369394 (E_RNA)
where:
Base-Base interactions energy: -174.906
where: short stacking energy: -64.989
Base-Backbone interact. energy: -0.103
local terms energy: -77.360197
where:
bonds (distance) C4'-P energy: -15.559
bonds (distance) P-C4' energy: -19.548
flat angles C4'-P-C4' energy: -16.678
flat angles P-C4'-P energy: -12.418
tors. eta vs tors. theta energy: -13.157
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: 1
=====================================
Write number: 44
Temperature: 1.150000
Total energy: -198.715555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.715555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.715555 (E_RNA)
where:
Base-Base interactions energy: -120.024
where: short stacking energy: -60.776
Base-Backbone interact. energy: -1.155
local terms energy: -77.536538
where:
bonds (distance) C4'-P energy: -17.207
bonds (distance) P-C4' energy: -17.593
flat angles C4'-P-C4' energy: -12.777
flat angles P-C4'-P energy: -11.905
tors. eta vs tors. theta energy: -18.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 44
Temperature: 1.200000
Total energy: -180.567740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.567740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.567740 (E_RNA)
where:
Base-Base interactions energy: -101.762
where: short stacking energy: -49.722
Base-Backbone interact. energy: -0.126
local terms energy: -78.679795
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -20.666
flat angles C4'-P-C4' energy: -18.614
flat angles P-C4'-P energy: -11.457
tors. eta vs tors. theta energy: -14.716
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 44
Temperature: 1.250000
Total energy: -168.129986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.129986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.129986 (E_RNA)
where:
Base-Base interactions energy: -98.240
where: short stacking energy: -40.012
Base-Backbone interact. energy: -0.373
local terms energy: -69.516664
where:
bonds (distance) C4'-P energy: -14.071
bonds (distance) P-C4' energy: -19.247
flat angles C4'-P-C4' energy: -14.148
flat angles P-C4'-P energy: -11.110
tors. eta vs tors. theta energy: -10.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 44
Temperature: 1.300000
Total energy: -90.450007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.450007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.450007 (E_RNA)
where:
Base-Base interactions energy: -27.527
where: short stacking energy: -27.527
Base-Backbone interact. energy: -0.200
local terms energy: -62.722940
where:
bonds (distance) C4'-P energy: -16.346
bonds (distance) P-C4' energy: -15.650
flat angles C4'-P-C4' energy: -14.312
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -4.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 44
Temperature: 1.350000
Total energy: -84.130825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.130825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.130825 (E_RNA)
where:
Base-Base interactions energy: -21.571
where: short stacking energy: -18.615
Base-Backbone interact. energy: 0.639
local terms energy: -63.198354
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -19.924
flat angles C4'-P-C4' energy: -14.648
flat angles P-C4'-P energy: -7.476
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: 1, replica: 2
=====================================
Write number: 45
Temperature: 0.900000
Total energy: -281.497298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.497298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.497298 (E_RNA)
where:
Base-Base interactions energy: -194.643
where: short stacking energy: -76.671
Base-Backbone interact. energy: 0.664
local terms energy: -87.518625
where:
bonds (distance) C4'-P energy: -17.524
bonds (distance) P-C4' energy: -20.591
flat angles C4'-P-C4' energy: -16.443
flat angles P-C4'-P energy: -12.677
tors. eta vs tors. theta energy: -20.283
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: 7
=====================================
Write number: 45
Temperature: 0.950000
Total energy: -286.375883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.375883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.375883 (E_RNA)
where:
Base-Base interactions energy: -198.819
where: short stacking energy: -88.052
Base-Backbone interact. energy: -0.004
local terms energy: -87.552104
where:
bonds (distance) C4'-P energy: -15.873
bonds (distance) P-C4' energy: -12.969
flat angles C4'-P-C4' energy: -17.748
flat angles P-C4'-P energy: -15.969
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: 10
=====================================
Write number: 45
Temperature: 1.000000
Total energy: -274.633473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.633473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.633473 (E_RNA)
where:
Base-Base interactions energy: -182.877
where: short stacking energy: -68.682
Base-Backbone interact. energy: -0.366
local terms energy: -91.390011
where:
bonds (distance) C4'-P energy: -19.260
bonds (distance) P-C4' energy: -19.343
flat angles C4'-P-C4' energy: -19.408
flat angles P-C4'-P energy: -11.409
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: 4, replica: 5
=====================================
Write number: 45
Temperature: 1.050000
Total energy: -269.068732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.068732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.068732 (E_RNA)
where:
Base-Base interactions energy: -176.972
where: short stacking energy: -74.478
Base-Backbone interact. energy: -1.950
local terms energy: -90.146803
where:
bonds (distance) C4'-P energy: -18.015
bonds (distance) P-C4' energy: -16.147
flat angles C4'-P-C4' energy: -17.792
flat angles P-C4'-P energy: -16.085
tors. eta vs tors. theta energy: -22.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 45
Temperature: 1.100000
Total energy: -219.749496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.749496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.749496 (E_RNA)
where:
Base-Base interactions energy: -145.354
where: short stacking energy: -62.740
Base-Backbone interact. energy: -0.238
local terms energy: -74.157888
where:
bonds (distance) C4'-P energy: -15.405
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -17.608
flat angles P-C4'-P energy: -12.492
tors. eta vs tors. theta energy: -11.641
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: 1
=====================================
Write number: 45
Temperature: 1.150000
Total energy: -214.214585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.214585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.214585 (E_RNA)
where:
Base-Base interactions energy: -135.097
where: short stacking energy: -50.906
Base-Backbone interact. energy: -0.183
local terms energy: -78.934236
where:
bonds (distance) C4'-P energy: -15.082
bonds (distance) P-C4' energy: -18.260
flat angles C4'-P-C4' energy: -20.254
flat angles P-C4'-P energy: -10.156
tors. eta vs tors. theta energy: -15.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 45
Temperature: 1.200000
Total energy: -182.976954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.976954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.976954 (E_RNA)
where:
Base-Base interactions energy: -114.382
where: short stacking energy: -59.478
Base-Backbone interact. energy: -0.255
local terms energy: -68.340176
where:
bonds (distance) C4'-P energy: -16.142
bonds (distance) P-C4' energy: -14.182
flat angles C4'-P-C4' energy: -15.174
flat angles P-C4'-P energy: -10.828
tors. eta vs tors. theta energy: -12.014
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: 8
=====================================
Write number: 45
Temperature: 1.250000
Total energy: -181.455091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.455091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.455091 (E_RNA)
where:
Base-Base interactions energy: -119.326
where: short stacking energy: -49.386
Base-Backbone interact. energy: 0.031
local terms energy: -62.160817
where:
bonds (distance) C4'-P energy: -12.190
bonds (distance) P-C4' energy: -17.811
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -8.393
tors. eta vs tors. theta energy: -8.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 45
Temperature: 1.300000
Total energy: -88.114420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.114420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.114420 (E_RNA)
where:
Base-Base interactions energy: -48.111
where: short stacking energy: -16.016
Base-Backbone interact. energy: 0.398
local terms energy: -40.401249
where:
bonds (distance) C4'-P energy: -10.748
bonds (distance) P-C4' energy: -18.082
flat angles C4'-P-C4' energy: -8.941
flat angles P-C4'-P energy: -5.312
tors. eta vs tors. theta energy: 2.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 45
Temperature: 1.350000
Total energy: -86.515757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.515757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.515757 (E_RNA)
where:
Base-Base interactions energy: -35.201
where: short stacking energy: -18.768
Base-Backbone interact. energy: -0.206
local terms energy: -51.108476
where:
bonds (distance) C4'-P energy: -9.820
bonds (distance) P-C4' energy: -19.718
flat angles C4'-P-C4' energy: -11.570
flat angles P-C4'-P energy: -11.650
tors. eta vs tors. theta energy: 1.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 46
Temperature: 0.900000
Total energy: -287.747492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.747492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.747492 (E_RNA)
where:
Base-Base interactions energy: -197.575
where: short stacking energy: -78.984
Base-Backbone interact. energy: -0.004
local terms energy: -90.168970
where:
bonds (distance) C4'-P energy: -20.146
bonds (distance) P-C4' energy: -17.459
flat angles C4'-P-C4' energy: -18.293
flat angles P-C4'-P energy: -10.564
tors. eta vs tors. theta energy: -23.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 46
Temperature: 0.950000
Total energy: -291.419979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.419979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.419979 (E_RNA)
where:
Base-Base interactions energy: -202.777
where: short stacking energy: -77.114
Base-Backbone interact. energy: -0.462
local terms energy: -88.181021
where:
bonds (distance) C4'-P energy: -17.952
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -21.203
flat angles P-C4'-P energy: -12.223
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: 3, replica: 10
=====================================
Write number: 46
Temperature: 1.000000
Total energy: -274.066442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.066442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.066442 (E_RNA)
where:
Base-Base interactions energy: -191.333
where: short stacking energy: -73.537
Base-Backbone interact. energy: -0.181
local terms energy: -82.552785
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -18.963
flat angles C4'-P-C4' energy: -17.914
flat angles P-C4'-P energy: -10.470
tors. eta vs tors. theta energy: -18.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 46
Temperature: 1.050000
Total energy: -271.187388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.187388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.187388 (E_RNA)
where:
Base-Base interactions energy: -183.762
where: short stacking energy: -73.488
Base-Backbone interact. energy: -0.165
local terms energy: -87.259898
where:
bonds (distance) C4'-P energy: -12.326
bonds (distance) P-C4' energy: -18.128
flat angles C4'-P-C4' energy: -19.181
flat angles P-C4'-P energy: -13.765
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: 5, replica: 6
=====================================
Write number: 46
Temperature: 1.100000
Total energy: -215.810871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.810871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.810871 (E_RNA)
where:
Base-Base interactions energy: -142.242
where: short stacking energy: -58.457
Base-Backbone interact. energy: -0.001
local terms energy: -73.567109
where:
bonds (distance) C4'-P energy: -19.641
bonds (distance) P-C4' energy: -14.883
flat angles C4'-P-C4' energy: -15.534
flat angles P-C4'-P energy: -6.633
tors. eta vs tors. theta energy: -16.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 46
Temperature: 1.150000
Total energy: -206.650524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.650524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.650524 (E_RNA)
where:
Base-Base interactions energy: -131.776
where: short stacking energy: -57.991
Base-Backbone interact. energy: -2.047
local terms energy: -72.827099
where:
bonds (distance) C4'-P energy: -15.280
bonds (distance) P-C4' energy: -11.750
flat angles C4'-P-C4' energy: -16.627
flat angles P-C4'-P energy: -14.242
tors. eta vs tors. theta energy: -14.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 46
Temperature: 1.200000
Total energy: -180.787667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.787667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.787667 (E_RNA)
where:
Base-Base interactions energy: -109.229
where: short stacking energy: -43.976
Base-Backbone interact. energy: -0.718
local terms energy: -70.840603
where:
bonds (distance) C4'-P energy: -19.575
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -16.517
flat angles P-C4'-P energy: -3.012
tors. eta vs tors. theta energy: -13.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 46
Temperature: 1.250000
Total energy: -172.358306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.358306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.358306 (E_RNA)
where:
Base-Base interactions energy: -96.067
where: short stacking energy: -45.774
Base-Backbone interact. energy: -2.008
local terms energy: -74.282964
where:
bonds (distance) C4'-P energy: -16.801
bonds (distance) P-C4' energy: -18.641
flat angles C4'-P-C4' energy: -17.793
flat angles P-C4'-P energy: -10.690
tors. eta vs tors. theta energy: -10.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 46
Temperature: 1.300000
Total energy: -87.662832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.662832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.662832 (E_RNA)
where:
Base-Base interactions energy: -31.359
where: short stacking energy: -30.368
Base-Backbone interact. energy: -0.563
local terms energy: -55.740683
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -17.142
flat angles C4'-P-C4' energy: -18.927
flat angles P-C4'-P energy: -8.080
tors. eta vs tors. theta energy: 1.447
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: 4
=====================================
Write number: 46
Temperature: 1.350000
Total energy: -81.480019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.480019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.480019 (E_RNA)
where:
Base-Base interactions energy: -34.314
where: short stacking energy: -28.050
Base-Backbone interact. energy: -0.235
local terms energy: -46.930521
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -16.910
flat angles C4'-P-C4' energy: -11.616
flat angles P-C4'-P energy: -5.622
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: 7
=====================================
Write number: 47
Temperature: 0.900000
Total energy: -292.006500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.006500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.006500 (E_RNA)
where:
Base-Base interactions energy: -206.297
where: short stacking energy: -80.856
Base-Backbone interact. energy: -0.047
local terms energy: -85.661903
where:
bonds (distance) C4'-P energy: -13.179
bonds (distance) P-C4' energy: -17.362
flat angles C4'-P-C4' energy: -18.367
flat angles P-C4'-P energy: -11.520
tors. eta vs tors. theta energy: -25.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 47
Temperature: 0.950000
Total energy: -285.020086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.020086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.020086 (E_RNA)
where:
Base-Base interactions energy: -185.938
where: short stacking energy: -79.520
Base-Backbone interact. energy: -0.560
local terms energy: -98.522299
where:
bonds (distance) C4'-P energy: -20.652
bonds (distance) P-C4' energy: -19.742
flat angles C4'-P-C4' energy: -18.284
flat angles P-C4'-P energy: -17.079
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: 3, replica: 2
=====================================
Write number: 47
Temperature: 1.000000
Total energy: -271.141618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.141618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.141618 (E_RNA)
where:
Base-Base interactions energy: -184.261
where: short stacking energy: -71.955
Base-Backbone interact. energy: 0.305
local terms energy: -87.186278
where:
bonds (distance) C4'-P energy: -15.249
bonds (distance) P-C4' energy: -19.954
flat angles C4'-P-C4' energy: -18.611
flat angles P-C4'-P energy: -11.596
tors. eta vs tors. theta energy: -21.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 47
Temperature: 1.050000
Total energy: -280.970573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.970573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.970573 (E_RNA)
where:
Base-Base interactions energy: -188.124
where: short stacking energy: -77.383
Base-Backbone interact. energy: 0.782
local terms energy: -93.629188
where:
bonds (distance) C4'-P energy: -21.189
bonds (distance) P-C4' energy: -15.269
flat angles C4'-P-C4' energy: -20.603
flat angles P-C4'-P energy: -15.303
tors. eta vs tors. theta energy: -21.266
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 47
Temperature: 1.100000
Total energy: -220.226940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.226940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.226940 (E_RNA)
where:
Base-Base interactions energy: -145.052
where: short stacking energy: -57.142
Base-Backbone interact. energy: -1.410
local terms energy: -73.765791
where:
bonds (distance) C4'-P energy: -18.825
bonds (distance) P-C4' energy: -18.216
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -9.609
tors. eta vs tors. theta energy: -11.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 47
Temperature: 1.150000
Total energy: -196.157947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.157947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.157947 (E_RNA)
where:
Base-Base interactions energy: -128.693
where: short stacking energy: -51.332
Base-Backbone interact. energy: 0.226
local terms energy: -67.690383
where:
bonds (distance) C4'-P energy: -14.184
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -18.918
flat angles P-C4'-P energy: -10.494
tors. eta vs tors. theta energy: -7.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 47
Temperature: 1.200000
Total energy: -195.870895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.870895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.870895 (E_RNA)
where:
Base-Base interactions energy: -120.313
where: short stacking energy: -51.635
Base-Backbone interact. energy: -0.100
local terms energy: -75.458395
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -15.457
flat angles C4'-P-C4' energy: -16.108
flat angles P-C4'-P energy: -15.151
tors. eta vs tors. theta energy: -12.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 47
Temperature: 1.250000
Total energy: -160.893306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.893306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.893306 (E_RNA)
where:
Base-Base interactions energy: -94.575
where: short stacking energy: -41.126
Base-Backbone interact. energy: -0.050
local terms energy: -66.268493
where:
bonds (distance) C4'-P energy: -15.312
bonds (distance) P-C4' energy: -19.136
flat angles C4'-P-C4' energy: -15.814
flat angles P-C4'-P energy: -7.321
tors. eta vs tors. theta energy: -8.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 47
Temperature: 1.300000
Total energy: -86.408169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.408169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.408169 (E_RNA)
where:
Base-Base interactions energy: -27.499
where: short stacking energy: -24.013
Base-Backbone interact. energy: -0.155
local terms energy: -58.754744
where:
bonds (distance) C4'-P energy: -19.487
bonds (distance) P-C4' energy: -19.106
flat angles C4'-P-C4' energy: -17.189
flat angles P-C4'-P energy: -5.708
tors. eta vs tors. theta energy: 2.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 47
Temperature: 1.350000
Total energy: -91.683350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.683350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.683350 (E_RNA)
where:
Base-Base interactions energy: -31.756
where: short stacking energy: -30.846
Base-Backbone interact. energy: 0.708
local terms energy: -60.634754
where:
bonds (distance) C4'-P energy: -17.219
bonds (distance) P-C4' energy: -16.348
flat angles C4'-P-C4' energy: -16.490
flat angles P-C4'-P energy: -7.802
tors. eta vs tors. theta energy: -2.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 48
Temperature: 0.900000
Total energy: -287.824266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.824266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.824266 (E_RNA)
where:
Base-Base interactions energy: -197.960
where: short stacking energy: -76.878
Base-Backbone interact. energy: 0.440
local terms energy: -90.304054
where:
bonds (distance) C4'-P energy: -15.811
bonds (distance) P-C4' energy: -19.523
flat angles C4'-P-C4' energy: -16.050
flat angles P-C4'-P energy: -14.672
tors. eta vs tors. theta energy: -24.249
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 48
Temperature: 0.950000
Total energy: -282.638314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.638314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.638314 (E_RNA)
where:
Base-Base interactions energy: -194.444
where: short stacking energy: -85.395
Base-Backbone interact. energy: -1.334
local terms energy: -86.860849
where:
bonds (distance) C4'-P energy: -18.916
bonds (distance) P-C4' energy: -13.921
flat angles C4'-P-C4' energy: -14.293
flat angles P-C4'-P energy: -11.879
tors. eta vs tors. theta energy: -27.851
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: 2
=====================================
Write number: 48
Temperature: 1.000000
Total energy: -275.119834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.119834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.119834 (E_RNA)
where:
Base-Base interactions energy: -192.179
where: short stacking energy: -74.139
Base-Backbone interact. energy: -3.106
local terms energy: -79.835679
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -16.657
flat angles C4'-P-C4' energy: -17.403
flat angles P-C4'-P energy: -7.079
tors. eta vs tors. theta energy: -24.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 48
Temperature: 1.050000
Total energy: -281.559811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.559811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.559811 (E_RNA)
where:
Base-Base interactions energy: -193.428
where: short stacking energy: -74.416
Base-Backbone interact. energy: -1.201
local terms energy: -86.930181
where:
bonds (distance) C4'-P energy: -13.497
bonds (distance) P-C4' energy: -18.776
flat angles C4'-P-C4' energy: -21.596
flat angles P-C4'-P energy: -12.591
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: 5, replica: 6
=====================================
Write number: 48
Temperature: 1.100000
Total energy: -223.999082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.999082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.999082 (E_RNA)
where:
Base-Base interactions energy: -151.183
where: short stacking energy: -57.886
Base-Backbone interact. energy: 0.602
local terms energy: -73.418100
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -16.390
flat angles C4'-P-C4' energy: -16.909
flat angles P-C4'-P energy: -11.897
tors. eta vs tors. theta energy: -14.527
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: 6, replica: 3
=====================================
Write number: 48
Temperature: 1.150000
Total energy: -260.791281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.791281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.791281 (E_RNA)
where:
Base-Base interactions energy: -180.641
where: short stacking energy: -68.919
Base-Backbone interact. energy: 0.898
local terms energy: -81.048864
where:
bonds (distance) C4'-P energy: -14.305
bonds (distance) P-C4' energy: -19.995
flat angles C4'-P-C4' energy: -12.595
flat angles P-C4'-P energy: -8.051
tors. eta vs tors. theta energy: -26.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 48
Temperature: 1.200000
Total energy: -208.836262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.836262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.836262 (E_RNA)
where:
Base-Base interactions energy: -145.645
where: short stacking energy: -64.111
Base-Backbone interact. energy: -1.757
local terms energy: -61.433448
where:
bonds (distance) C4'-P energy: -10.330
bonds (distance) P-C4' energy: -14.192
flat angles C4'-P-C4' energy: -16.657
flat angles P-C4'-P energy: -2.879
tors. eta vs tors. theta energy: -17.375
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 48
Temperature: 1.250000
Total energy: -142.474250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.474250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.474250 (E_RNA)
where:
Base-Base interactions energy: -87.684
where: short stacking energy: -42.543
Base-Backbone interact. energy: -0.145
local terms energy: -54.646009
where:
bonds (distance) C4'-P energy: -10.586
bonds (distance) P-C4' energy: -13.626
flat angles C4'-P-C4' energy: -13.556
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: -6.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 48
Temperature: 1.300000
Total energy: -92.171828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.171828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.171828 (E_RNA)
where:
Base-Base interactions energy: -33.669
where: short stacking energy: -30.105
Base-Backbone interact. energy: -0.551
local terms energy: -57.951599
where:
bonds (distance) C4'-P energy: -17.314
bonds (distance) P-C4' energy: -17.495
flat angles C4'-P-C4' energy: -15.851
flat angles P-C4'-P energy: -5.317
tors. eta vs tors. theta energy: -1.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 48
Temperature: 1.350000
Total energy: -82.625821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.625821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.625821 (E_RNA)
where:
Base-Base interactions energy: -33.831
where: short stacking energy: -32.285
Base-Backbone interact. energy: -0.081
local terms energy: -48.714257
where:
bonds (distance) C4'-P energy: -11.116
bonds (distance) P-C4' energy: -14.018
flat angles C4'-P-C4' energy: -11.426
flat angles P-C4'-P energy: -6.531
tors. eta vs tors. theta energy: -5.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 49
Temperature: 0.900000
Total energy: -288.535710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.535710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.535710 (E_RNA)
where:
Base-Base interactions energy: -192.498
where: short stacking energy: -75.207
Base-Backbone interact. energy: -0.793
local terms energy: -95.245185
where:
bonds (distance) C4'-P energy: -20.564
bonds (distance) P-C4' energy: -20.038
flat angles C4'-P-C4' energy: -18.282
flat angles P-C4'-P energy: -13.057
tors. eta vs tors. theta energy: -23.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 49
Temperature: 0.950000
Total energy: -285.522841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.522841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.522841 (E_RNA)
where:
Base-Base interactions energy: -194.970
where: short stacking energy: -87.334
Base-Backbone interact. energy: -0.003
local terms energy: -90.549748
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -15.958
flat angles C4'-P-C4' energy: -19.173
flat angles P-C4'-P energy: -11.341
tors. eta vs tors. theta energy: -27.301
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: 2
=====================================
Write number: 49
Temperature: 1.000000
Total energy: -282.612119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.612119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.612119 (E_RNA)
where:
Base-Base interactions energy: -190.009
where: short stacking energy: -77.088
Base-Backbone interact. energy: -1.115
local terms energy: -91.488450
where:
bonds (distance) C4'-P energy: -15.872
bonds (distance) P-C4' energy: -18.643
flat angles C4'-P-C4' energy: -17.854
flat angles P-C4'-P energy: -14.007
tors. eta vs tors. theta energy: -25.112
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: 5
=====================================
Write number: 49
Temperature: 1.050000
Total energy: -271.920580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.920580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.920580 (E_RNA)
where:
Base-Base interactions energy: -183.177
where: short stacking energy: -74.202
Base-Backbone interact. energy: 0.373
local terms energy: -89.116051
where:
bonds (distance) C4'-P energy: -15.550
bonds (distance) P-C4' energy: -17.428
flat angles C4'-P-C4' energy: -20.145
flat angles P-C4'-P energy: -15.120
tors. eta vs tors. theta energy: -20.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 49
Temperature: 1.100000
Total energy: -206.288833 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.288833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.288833 (E_RNA)
where:
Base-Base interactions energy: -141.370
where: short stacking energy: -68.078
Base-Backbone interact. energy: -0.533
local terms energy: -64.386238
where:
bonds (distance) C4'-P energy: -11.062
bonds (distance) P-C4' energy: -14.806
flat angles C4'-P-C4' energy: -16.168
flat angles P-C4'-P energy: -11.534
tors. eta vs tors. theta energy: -10.816
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: 6, replica: 3
=====================================
Write number: 49
Temperature: 1.150000
Total energy: -262.618668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.618668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.618668 (E_RNA)
where:
Base-Base interactions energy: -175.775
where: short stacking energy: -69.939
Base-Backbone interact. energy: -0.598
local terms energy: -86.245940
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -17.904
flat angles C4'-P-C4' energy: -18.776
flat angles P-C4'-P energy: -9.145
tors. eta vs tors. theta energy: -25.407
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: 49
Temperature: 1.200000
Total energy: -221.737614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.737614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.737614 (E_RNA)
where:
Base-Base interactions energy: -145.758
where: short stacking energy: -54.622
Base-Backbone interact. energy: -0.618
local terms energy: -75.361529
where:
bonds (distance) C4'-P energy: -10.165
bonds (distance) P-C4' energy: -20.105
flat angles C4'-P-C4' energy: -20.534
flat angles P-C4'-P energy: -10.437
tors. eta vs tors. theta energy: -14.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 49
Temperature: 1.250000
Total energy: -98.434569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.434569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.434569 (E_RNA)
where:
Base-Base interactions energy: -45.397
where: short stacking energy: -26.575
Base-Backbone interact. energy: 0.683
local terms energy: -53.721274
where:
bonds (distance) C4'-P energy: -16.399
bonds (distance) P-C4' energy: -17.855
flat angles C4'-P-C4' energy: -10.976
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: 1.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 49
Temperature: 1.300000
Total energy: -126.569376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.569376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.569376 (E_RNA)
where:
Base-Base interactions energy: -79.358
where: short stacking energy: -26.964
Base-Backbone interact. energy: -0.473
local terms energy: -46.738271
where:
bonds (distance) C4'-P energy: -14.136
bonds (distance) P-C4' energy: -9.756
flat angles C4'-P-C4' energy: -17.070
flat angles P-C4'-P energy: -8.334
tors. eta vs tors. theta energy: 2.558
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 49
Temperature: 1.350000
Total energy: -81.546649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.546649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.546649 (E_RNA)
where:
Base-Base interactions energy: -37.707
where: short stacking energy: -31.833
Base-Backbone interact. energy: -0.096
local terms energy: -43.743476
where:
bonds (distance) C4'-P energy: -11.528
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -11.374
flat angles P-C4'-P energy: -5.681
tors. eta vs tors. theta energy: 0.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 50
Temperature: 0.900000
Total energy: -284.266076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.266076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.266076 (E_RNA)
where:
Base-Base interactions energy: -195.226
where: short stacking energy: -86.059
Base-Backbone interact. energy: -0.413
local terms energy: -88.626220
where:
bonds (distance) C4'-P energy: -16.524
bonds (distance) P-C4' energy: -13.582
flat angles C4'-P-C4' energy: -20.156
flat angles P-C4'-P energy: -13.515
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: 50
Temperature: 0.950000
Total energy: -277.352576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.352576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.352576 (E_RNA)
where:
Base-Base interactions energy: -192.309
where: short stacking energy: -71.752
Base-Backbone interact. energy: -0.096
local terms energy: -84.948265
where:
bonds (distance) C4'-P energy: -16.101
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -16.680
flat angles P-C4'-P energy: -15.085
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: 3, replica: 5
=====================================
Write number: 50
Temperature: 1.000000
Total energy: -268.072025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.072025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.072025 (E_RNA)
where:
Base-Base interactions energy: -188.032
where: short stacking energy: -73.679
Base-Backbone interact. energy: -0.318
local terms energy: -79.722583
where:
bonds (distance) C4'-P energy: -16.229
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -16.995
flat angles P-C4'-P energy: -9.380
tors. eta vs tors. theta energy: -19.402
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: 2
=====================================
Write number: 50
Temperature: 1.050000
Total energy: -269.194103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.194103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.194103 (E_RNA)
where:
Base-Base interactions energy: -179.861
where: short stacking energy: -75.628
Base-Backbone interact. energy: -1.316
local terms energy: -88.017338
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -18.052
flat angles C4'-P-C4' energy: -19.147
flat angles P-C4'-P energy: -13.094
tors. eta vs tors. theta energy: -22.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 50
Temperature: 1.100000
Total energy: -265.128104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.128104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.128104 (E_RNA)
where:
Base-Base interactions energy: -176.962
where: short stacking energy: -80.006
Base-Backbone interact. energy: -0.240
local terms energy: -87.926544
where:
bonds (distance) C4'-P energy: -15.741
bonds (distance) P-C4' energy: -18.727
flat angles C4'-P-C4' energy: -16.537
flat angles P-C4'-P energy: -14.247
tors. eta vs tors. theta energy: -22.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 50
Temperature: 1.150000
Total energy: -216.107714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.107714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.107714 (E_RNA)
where:
Base-Base interactions energy: -145.317
where: short stacking energy: -57.033
Base-Backbone interact. energy: -0.773
local terms energy: -70.017712
where:
bonds (distance) C4'-P energy: -16.457
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -15.898
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: -12.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 50
Temperature: 1.200000
Total energy: -211.891404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.891404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.891404 (E_RNA)
where:
Base-Base interactions energy: -137.101
where: short stacking energy: -71.064
Base-Backbone interact. energy: -0.444
local terms energy: -74.346405
where:
bonds (distance) C4'-P energy: -16.134
bonds (distance) P-C4' energy: -14.839
flat angles C4'-P-C4' energy: -14.873
flat angles P-C4'-P energy: -11.862
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: 8, replica: 4
=====================================
Write number: 50
Temperature: 1.250000
Total energy: -92.003317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.003317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.003317 (E_RNA)
where:
Base-Base interactions energy: -36.237
where: short stacking energy: -33.956
Base-Backbone interact. energy: -0.474
local terms energy: -55.292316
where:
bonds (distance) C4'-P energy: -15.174
bonds (distance) P-C4' energy: -19.556
flat angles C4'-P-C4' energy: -9.979
flat angles P-C4'-P energy: -6.909
tors. eta vs tors. theta energy: -3.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 50
Temperature: 1.300000
Total energy: -109.063027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.063027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.063027 (E_RNA)
where:
Base-Base interactions energy: -53.546
where: short stacking energy: -30.699
Base-Backbone interact. energy: -0.155
local terms energy: -55.362378
where:
bonds (distance) C4'-P energy: -13.775
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -16.819
flat angles P-C4'-P energy: -10.954
tors. eta vs tors. theta energy: 1.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 50
Temperature: 1.350000
Total energy: -99.191441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.191441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.191441 (E_RNA)
where:
Base-Base interactions energy: -48.919
where: short stacking energy: -34.885
Base-Backbone interact. energy: -0.190
local terms energy: -50.082292
where:
bonds (distance) C4'-P energy: -17.621
bonds (distance) P-C4' energy: -11.253
flat angles C4'-P-C4' energy: -15.232
flat angles P-C4'-P energy: -4.796
tors. eta vs tors. theta energy: -1.180
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: 7
=====================================
Write number: 51
Temperature: 0.900000
Total energy: -289.577517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.577517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.577517 (E_RNA)
where:
Base-Base interactions energy: -193.426
where: short stacking energy: -81.269
Base-Backbone interact. energy: -0.080
local terms energy: -96.071537
where:
bonds (distance) C4'-P energy: -21.611
bonds (distance) P-C4' energy: -19.073
flat angles C4'-P-C4' energy: -18.942
flat angles P-C4'-P energy: -13.669
tors. eta vs tors. theta energy: -22.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 51
Temperature: 0.950000
Total energy: -284.768921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.768921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.768921 (E_RNA)
where:
Base-Base interactions energy: -193.266
where: short stacking energy: -75.916
Base-Backbone interact. energy: -0.314
local terms energy: -91.189076
where:
bonds (distance) C4'-P energy: -18.274
bonds (distance) P-C4' energy: -17.664
flat angles C4'-P-C4' energy: -20.003
flat angles P-C4'-P energy: -12.737
tors. eta vs tors. theta energy: -22.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 51
Temperature: 1.000000
Total energy: -273.829023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.829023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.829023 (E_RNA)
where:
Base-Base interactions energy: -183.254
where: short stacking energy: -76.285
Base-Backbone interact. energy: -0.084
local terms energy: -90.490321
where:
bonds (distance) C4'-P energy: -16.188
bonds (distance) P-C4' energy: -18.164
flat angles C4'-P-C4' energy: -17.677
flat angles P-C4'-P energy: -12.217
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: 4, replica: 3
=====================================
Write number: 51
Temperature: 1.050000
Total energy: -267.093252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.093252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.093252 (E_RNA)
where:
Base-Base interactions energy: -189.388
where: short stacking energy: -73.251
Base-Backbone interact. energy: -0.420
local terms energy: -77.285450
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -13.909
flat angles C4'-P-C4' energy: -16.859
flat angles P-C4'-P energy: -10.560
tors. eta vs tors. theta energy: -19.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 51
Temperature: 1.100000
Total energy: -272.340619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.340619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.340619 (E_RNA)
where:
Base-Base interactions energy: -188.328
where: short stacking energy: -65.806
Base-Backbone interact. energy: -0.116
local terms energy: -83.897175
where:
bonds (distance) C4'-P energy: -14.168
bonds (distance) P-C4' energy: -16.002
flat angles C4'-P-C4' energy: -18.529
flat angles P-C4'-P energy: -11.414
tors. eta vs tors. theta energy: -23.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 51
Temperature: 1.150000
Total energy: -220.641169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.641169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.641169 (E_RNA)
where:
Base-Base interactions energy: -154.781
where: short stacking energy: -54.261
Base-Backbone interact. energy: -0.387
local terms energy: -65.473458
where:
bonds (distance) C4'-P energy: -10.010
bonds (distance) P-C4' energy: -17.902
flat angles C4'-P-C4' energy: -15.356
flat angles P-C4'-P energy: -9.199
tors. eta vs tors. theta energy: -13.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 51
Temperature: 1.200000
Total energy: -157.771411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.771411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.771411 (E_RNA)
where:
Base-Base interactions energy: -94.575
where: short stacking energy: -41.774
Base-Backbone interact. energy: 0.364
local terms energy: -63.560776
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -18.677
flat angles C4'-P-C4' energy: -15.973
flat angles P-C4'-P energy: -11.908
tors. eta vs tors. theta energy: -1.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 51
Temperature: 1.250000
Total energy: -105.803468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.803468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.803468 (E_RNA)
where:
Base-Base interactions energy: -42.334
where: short stacking energy: -28.820
Base-Backbone interact. energy: -0.208
local terms energy: -63.260792
where:
bonds (distance) C4'-P energy: -17.069
bonds (distance) P-C4' energy: -20.672
flat angles C4'-P-C4' energy: -17.184
flat angles P-C4'-P energy: -10.332
tors. eta vs tors. theta energy: 1.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 51
Temperature: 1.300000
Total energy: -99.809856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.809856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.809856 (E_RNA)
where:
Base-Base interactions energy: -46.082
where: short stacking energy: -35.394
Base-Backbone interact. energy: -0.246
local terms energy: -53.481119
where:
bonds (distance) C4'-P energy: -17.936
bonds (distance) P-C4' energy: -18.354
flat angles C4'-P-C4' energy: -14.059
flat angles P-C4'-P energy: -2.312
tors. eta vs tors. theta energy: -0.820
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: 10, replica: 8
=====================================
Write number: 51
Temperature: 1.350000
Total energy: -80.411317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.411317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.411317 (E_RNA)
where:
Base-Base interactions energy: -41.051
where: short stacking energy: -33.649
Base-Backbone interact. energy: -0.166
local terms energy: -39.194136
where:
bonds (distance) C4'-P energy: -8.388
bonds (distance) P-C4' energy: -14.361
flat angles C4'-P-C4' energy: -11.379
flat angles P-C4'-P energy: -8.399
tors. eta vs tors. theta energy: 3.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 52
Temperature: 0.900000
Total energy: -293.231846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.231846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.231846 (E_RNA)
where:
Base-Base interactions energy: -191.610
where: short stacking energy: -75.122
Base-Backbone interact. energy: -2.086
local terms energy: -99.536366
where:
bonds (distance) C4'-P energy: -19.152
bonds (distance) P-C4' energy: -20.228
flat angles C4'-P-C4' energy: -17.650
flat angles P-C4'-P energy: -17.452
tors. eta vs tors. theta energy: -25.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 52
Temperature: 0.950000
Total energy: -286.794663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.794663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.794663 (E_RNA)
where:
Base-Base interactions energy: -191.771
where: short stacking energy: -80.878
Base-Backbone interact. energy: -0.243
local terms energy: -94.780266
where:
bonds (distance) C4'-P energy: -18.565
bonds (distance) P-C4' energy: -19.953
flat angles C4'-P-C4' energy: -17.089
flat angles P-C4'-P energy: -13.681
tors. eta vs tors. theta energy: -25.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 52
Temperature: 1.000000
Total energy: -266.810332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.810332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.810332 (E_RNA)
where:
Base-Base interactions energy: -186.727
where: short stacking energy: -79.554
Base-Backbone interact. energy: 0.060
local terms energy: -80.142917
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -12.579
flat angles C4'-P-C4' energy: -14.938
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: -25.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 52
Temperature: 1.050000
Total energy: -264.293640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.293640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.293640 (E_RNA)
where:
Base-Base interactions energy: -190.398
where: short stacking energy: -65.645
Base-Backbone interact. energy: -0.321
local terms energy: -73.574752
where:
bonds (distance) C4'-P energy: -15.546
bonds (distance) P-C4' energy: -16.621
flat angles C4'-P-C4' energy: -15.697
flat angles P-C4'-P energy: -4.910
tors. eta vs tors. theta energy: -20.801
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: 2
=====================================
Write number: 52
Temperature: 1.100000
Total energy: -268.360298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.360298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.360298 (E_RNA)
where:
Base-Base interactions energy: -178.914
where: short stacking energy: -68.887
Base-Backbone interact. energy: -0.106
local terms energy: -89.340909
where:
bonds (distance) C4'-P energy: -18.262
bonds (distance) P-C4' energy: -18.609
flat angles C4'-P-C4' energy: -19.105
flat angles P-C4'-P energy: -13.865
tors. eta vs tors. theta energy: -19.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 52
Temperature: 1.150000
Total energy: -231.558258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.558258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.558258 (E_RNA)
where:
Base-Base interactions energy: -149.957
where: short stacking energy: -64.473
Base-Backbone interact. energy: -0.382
local terms energy: -81.219862
where:
bonds (distance) C4'-P energy: -18.839
bonds (distance) P-C4' energy: -14.056
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -10.602
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: 7, replica: 6
=====================================
Write number: 52
Temperature: 1.200000
Total energy: -171.795113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.795113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.795113 (E_RNA)
where:
Base-Base interactions energy: -111.593
where: short stacking energy: -52.860
Base-Backbone interact. energy: -0.052
local terms energy: -60.150199
where:
bonds (distance) C4'-P energy: -12.260
bonds (distance) P-C4' energy: -7.189
flat angles C4'-P-C4' energy: -16.515
flat angles P-C4'-P energy: -13.533
tors. eta vs tors. theta energy: -10.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 52
Temperature: 1.250000
Total energy: -125.845954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.845954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.845954 (E_RNA)
where:
Base-Base interactions energy: -62.018
where: short stacking energy: -30.892
Base-Backbone interact. energy: -0.285
local terms energy: -63.542553
where:
bonds (distance) C4'-P energy: -17.029
bonds (distance) P-C4' energy: -15.723
flat angles C4'-P-C4' energy: -15.136
flat angles P-C4'-P energy: -7.951
tors. eta vs tors. theta energy: -7.704
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: 8
=====================================
Write number: 52
Temperature: 1.300000
Total energy: -93.337291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.337291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.337291 (E_RNA)
where:
Base-Base interactions energy: -33.044
where: short stacking energy: -20.059
Base-Backbone interact. energy: -0.336
local terms energy: -59.957370
where:
bonds (distance) C4'-P energy: -16.850
bonds (distance) P-C4' energy: -21.103
flat angles C4'-P-C4' energy: -10.357
flat angles P-C4'-P energy: -12.502
tors. eta vs tors. theta energy: 0.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 52
Temperature: 1.350000
Total energy: -104.556981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.556981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.556981 (E_RNA)
where:
Base-Base interactions energy: -46.202
where: short stacking energy: -19.475
Base-Backbone interact. energy: -0.099
local terms energy: -58.256152
where:
bonds (distance) C4'-P energy: -18.679
bonds (distance) P-C4' energy: -15.277
flat angles C4'-P-C4' energy: -12.113
flat angles P-C4'-P energy: -13.930
tors. eta vs tors. theta energy: 1.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 53
Temperature: 0.900000
Total energy: -291.496417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.496417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.496417 (E_RNA)
where:
Base-Base interactions energy: -194.036
where: short stacking energy: -82.913
Base-Backbone interact. energy: -1.818
local terms energy: -95.642047
where:
bonds (distance) C4'-P energy: -17.672
bonds (distance) P-C4' energy: -18.151
flat angles C4'-P-C4' energy: -17.926
flat angles P-C4'-P energy: -16.600
tors. eta vs tors. theta energy: -25.293
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: 7
=====================================
Write number: 53
Temperature: 0.950000
Total energy: -285.886650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.886650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.886650 (E_RNA)
where:
Base-Base interactions energy: -190.169
where: short stacking energy: -80.731
Base-Backbone interact. energy: -1.799
local terms energy: -93.918090
where:
bonds (distance) C4'-P energy: -17.907
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -18.092
flat angles P-C4'-P energy: -12.793
tors. eta vs tors. theta energy: -26.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 53
Temperature: 1.000000
Total energy: -264.385956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.385956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.385956 (E_RNA)
where:
Base-Base interactions energy: -169.100
where: short stacking energy: -79.493
Base-Backbone interact. energy: -3.440
local terms energy: -91.846237
where:
bonds (distance) C4'-P energy: -15.836
bonds (distance) P-C4' energy: -18.258
flat angles C4'-P-C4' energy: -18.264
flat angles P-C4'-P energy: -14.318
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: 4, replica: 3
=====================================
Write number: 53
Temperature: 1.050000
Total energy: -271.468837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.468837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.468837 (E_RNA)
where:
Base-Base interactions energy: -186.304
where: short stacking energy: -68.513
Base-Backbone interact. energy: 0.149
local terms energy: -85.313551
where:
bonds (distance) C4'-P energy: -17.624
bonds (distance) P-C4' energy: -18.396
flat angles C4'-P-C4' energy: -18.624
flat angles P-C4'-P energy: -10.257
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: 5, replica: 2
=====================================
Write number: 53
Temperature: 1.100000
Total energy: -271.901820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.901820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.901820 (E_RNA)
where:
Base-Base interactions energy: -190.630
where: short stacking energy: -73.473
Base-Backbone interact. energy: 0.179
local terms energy: -81.450976
where:
bonds (distance) C4'-P energy: -12.648
bonds (distance) P-C4' energy: -17.723
flat angles C4'-P-C4' energy: -11.944
flat angles P-C4'-P energy: -15.681
tors. eta vs tors. theta energy: -23.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 53
Temperature: 1.150000
Total energy: -241.470032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.470032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.470032 (E_RNA)
where:
Base-Base interactions energy: -160.955
where: short stacking energy: -67.013
Base-Backbone interact. energy: 0.231
local terms energy: -80.746217
where:
bonds (distance) C4'-P energy: -17.016
bonds (distance) P-C4' energy: -15.005
flat angles C4'-P-C4' energy: -18.411
flat angles P-C4'-P energy: -11.189
tors. eta vs tors. theta energy: -19.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 53
Temperature: 1.200000
Total energy: -219.168688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.168688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.168688 (E_RNA)
where:
Base-Base interactions energy: -146.354
where: short stacking energy: -63.881
Base-Backbone interact. energy: -0.786
local terms energy: -72.028555
where:
bonds (distance) C4'-P energy: -14.926
bonds (distance) P-C4' energy: -12.978
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -11.081
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: 8, replica: 8
=====================================
Write number: 53
Temperature: 1.250000
Total energy: -98.876110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.876110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.876110 (E_RNA)
where:
Base-Base interactions energy: -33.957
where: short stacking energy: -30.988
Base-Backbone interact. energy: 0.649
local terms energy: -65.567485
where:
bonds (distance) C4'-P energy: -18.671
bonds (distance) P-C4' energy: -19.351
flat angles C4'-P-C4' energy: -13.663
flat angles P-C4'-P energy: -9.120
tors. eta vs tors. theta energy: -4.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 53
Temperature: 1.300000
Total energy: -84.309694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.309694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.309694 (E_RNA)
where:
Base-Base interactions energy: -38.165
where: short stacking energy: -29.613
Base-Backbone interact. energy: -0.052
local terms energy: -46.091994
where:
bonds (distance) C4'-P energy: -16.975
bonds (distance) P-C4' energy: -10.988
flat angles C4'-P-C4' energy: -10.301
flat angles P-C4'-P energy: -9.934
tors. eta vs tors. theta energy: 2.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 53
Temperature: 1.350000
Total energy: -102.944532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.944532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.944532 (E_RNA)
where:
Base-Base interactions energy: -47.362
where: short stacking energy: -47.362
Base-Backbone interact. energy: 3.063
local terms energy: -58.645355
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -18.090
flat angles C4'-P-C4' energy: -5.897
flat angles P-C4'-P energy: -9.954
tors. eta vs tors. theta energy: -9.158
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: 7
=====================================
Write number: 54
Temperature: 0.900000
Total energy: -288.387106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.387106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.387106 (E_RNA)
where:
Base-Base interactions energy: -192.541
where: short stacking energy: -75.039
Base-Backbone interact. energy: -0.919
local terms energy: -94.927781
where:
bonds (distance) C4'-P energy: -15.882
bonds (distance) P-C4' energy: -18.944
flat angles C4'-P-C4' energy: -19.530
flat angles P-C4'-P energy: -16.031
tors. eta vs tors. theta energy: -24.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 54
Temperature: 0.950000
Total energy: -281.765868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.765868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.765868 (E_RNA)
where:
Base-Base interactions energy: -192.749
where: short stacking energy: -77.789
Base-Backbone interact. energy: -0.100
local terms energy: -88.917326
where:
bonds (distance) C4'-P energy: -18.358
bonds (distance) P-C4' energy: -17.691
flat angles C4'-P-C4' energy: -15.653
flat angles P-C4'-P energy: -15.096
tors. eta vs tors. theta energy: -22.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 54
Temperature: 1.000000
Total energy: -274.431359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.431359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.431359 (E_RNA)
where:
Base-Base interactions energy: -195.362
where: short stacking energy: -82.189
Base-Backbone interact. energy: -0.053
local terms energy: -79.016189
where:
bonds (distance) C4'-P energy: -6.489
bonds (distance) P-C4' energy: -17.966
flat angles C4'-P-C4' energy: -19.172
flat angles P-C4'-P energy: -15.108
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: 4, replica: 5
=====================================
Write number: 54
Temperature: 1.050000
Total energy: -248.349382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.349382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.349382 (E_RNA)
where:
Base-Base interactions energy: -167.065
where: short stacking energy: -67.709
Base-Backbone interact. energy: -0.130
local terms energy: -81.154140
where:
bonds (distance) C4'-P energy: -15.237
bonds (distance) P-C4' energy: -17.470
flat angles C4'-P-C4' energy: -14.072
flat angles P-C4'-P energy: -11.909
tors. eta vs tors. theta energy: -22.467
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 54
Temperature: 1.100000
Total energy: -257.177744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.177744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.177744 (E_RNA)
where:
Base-Base interactions energy: -173.861
where: short stacking energy: -67.110
Base-Backbone interact. energy: -0.389
local terms energy: -82.927872
where:
bonds (distance) C4'-P energy: -18.719
bonds (distance) P-C4' energy: -18.299
flat angles C4'-P-C4' energy: -17.887
flat angles P-C4'-P energy: -11.202
tors. eta vs tors. theta energy: -16.822
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: 6, replica: 2
=====================================
Write number: 54
Temperature: 1.150000
Total energy: -247.766989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.766989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.766989 (E_RNA)
where:
Base-Base interactions energy: -174.466
where: short stacking energy: -68.387
Base-Backbone interact. energy: -0.484
local terms energy: -72.817565
where:
bonds (distance) C4'-P energy: -16.253
bonds (distance) P-C4' energy: -17.851
flat angles C4'-P-C4' energy: -9.465
flat angles P-C4'-P energy: -11.588
tors. eta vs tors. theta energy: -17.660
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: 1
=====================================
Write number: 54
Temperature: 1.200000
Total energy: -227.583008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.583008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.583008 (E_RNA)
where:
Base-Base interactions energy: -151.063
where: short stacking energy: -59.675
Base-Backbone interact. energy: 0.290
local terms energy: -76.810610
where:
bonds (distance) C4'-P energy: -18.063
bonds (distance) P-C4' energy: -15.423
flat angles C4'-P-C4' energy: -12.285
flat angles P-C4'-P energy: -13.309
tors. eta vs tors. theta energy: -17.730
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: 8, replica: 8
=====================================
Write number: 54
Temperature: 1.250000
Total energy: -85.493207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.493207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.493207 (E_RNA)
where:
Base-Base interactions energy: -35.518
where: short stacking energy: -21.109
Base-Backbone interact. energy: -0.383
local terms energy: -49.592591
where:
bonds (distance) C4'-P energy: -9.911
bonds (distance) P-C4' energy: -14.625
flat angles C4'-P-C4' energy: -12.986
flat angles P-C4'-P energy: -9.749
tors. eta vs tors. theta energy: -2.321
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 54
Temperature: 1.300000
Total energy: -103.089468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.089468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.089468 (E_RNA)
where:
Base-Base interactions energy: -37.558
where: short stacking energy: -37.438
Base-Backbone interact. energy: -0.307
local terms energy: -65.224943
where:
bonds (distance) C4'-P energy: -13.289
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -15.092
flat angles P-C4'-P energy: -11.951
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: 10, replica: 9
=====================================
Write number: 54
Temperature: 1.350000
Total energy: -88.848492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.848492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.848492 (E_RNA)
where:
Base-Base interactions energy: -22.683
where: short stacking energy: -20.133
Base-Backbone interact. energy: -0.560
local terms energy: -65.605151
where:
bonds (distance) C4'-P energy: -17.770
bonds (distance) P-C4' energy: -21.724
flat angles C4'-P-C4' energy: -14.543
flat angles P-C4'-P energy: -12.488
tors. eta vs tors. theta energy: 0.920
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 55
Temperature: 0.900000
Total energy: -288.012644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.012644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.012644 (E_RNA)
where:
Base-Base interactions energy: -194.291
where: short stacking energy: -78.896
Base-Backbone interact. energy: -1.867
local terms energy: -91.854627
where:
bonds (distance) C4'-P energy: -15.425
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -16.571
flat angles P-C4'-P energy: -14.993
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: 2, replica: 10
=====================================
Write number: 55
Temperature: 0.950000
Total energy: -284.242607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.242607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.242607 (E_RNA)
where:
Base-Base interactions energy: -197.666
where: short stacking energy: -75.796
Base-Backbone interact. energy: -1.329
local terms energy: -85.247723
where:
bonds (distance) C4'-P energy: -15.329
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -16.657
flat angles P-C4'-P energy: -11.520
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: 3, replica: 3
=====================================
Write number: 55
Temperature: 1.000000
Total energy: -291.305893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.305893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.305893 (E_RNA)
where:
Base-Base interactions energy: -201.279
where: short stacking energy: -84.556
Base-Backbone interact. energy: 0.084
local terms energy: -90.110390
where:
bonds (distance) C4'-P energy: -14.434
bonds (distance) P-C4' energy: -18.066
flat angles C4'-P-C4' energy: -20.990
flat angles P-C4'-P energy: -12.598
tors. eta vs tors. theta energy: -24.023
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: 4, replica: 6
=====================================
Write number: 55
Temperature: 1.050000
Total energy: -269.796647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.796647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.796647 (E_RNA)
where:
Base-Base interactions energy: -185.332
where: short stacking energy: -79.512
Base-Backbone interact. energy: -0.266
local terms energy: -84.199341
where:
bonds (distance) C4'-P energy: -12.027
bonds (distance) P-C4' energy: -18.928
flat angles C4'-P-C4' energy: -17.051
flat angles P-C4'-P energy: -13.236
tors. eta vs tors. theta energy: -22.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 55
Temperature: 1.100000
Total energy: -250.187709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.187709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.187709 (E_RNA)
where:
Base-Base interactions energy: -178.505
where: short stacking energy: -70.140
Base-Backbone interact. energy: -0.418
local terms energy: -71.264368
where:
bonds (distance) C4'-P energy: -15.209
bonds (distance) P-C4' energy: -13.445
flat angles C4'-P-C4' energy: -13.631
flat angles P-C4'-P energy: -6.380
tors. eta vs tors. theta energy: -22.600
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: 6, replica: 2
=====================================
Write number: 55
Temperature: 1.150000
Total energy: -253.625468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.625468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.625468 (E_RNA)
where:
Base-Base interactions energy: -179.207
where: short stacking energy: -74.838
Base-Backbone interact. energy: -0.496
local terms energy: -73.922109
where:
bonds (distance) C4'-P energy: -15.208
bonds (distance) P-C4' energy: -14.526
flat angles C4'-P-C4' energy: -15.132
flat angles P-C4'-P energy: -8.357
tors. eta vs tors. theta energy: -20.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 55
Temperature: 1.200000
Total energy: -225.586285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.586285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.586285 (E_RNA)
where:
Base-Base interactions energy: -146.878
where: short stacking energy: -67.500
Base-Backbone interact. energy: -0.913
local terms energy: -77.795192
where:
bonds (distance) C4'-P energy: -16.615
bonds (distance) P-C4' energy: -15.048
flat angles C4'-P-C4' energy: -16.401
flat angles P-C4'-P energy: -7.107
tors. eta vs tors. theta energy: -22.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 55
Temperature: 1.250000
Total energy: -103.219692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.219692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.219692 (E_RNA)
where:
Base-Base interactions energy: -49.775
where: short stacking energy: -43.083
Base-Backbone interact. energy: 0.422
local terms energy: -53.867342
where:
bonds (distance) C4'-P energy: -15.480
bonds (distance) P-C4' energy: -15.002
flat angles C4'-P-C4' energy: -7.414
flat angles P-C4'-P energy: -9.351
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: 9, replica: 4
=====================================
Write number: 55
Temperature: 1.300000
Total energy: -96.879553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.879553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.879553 (E_RNA)
where:
Base-Base interactions energy: -40.472
where: short stacking energy: -31.830
Base-Backbone interact. energy: -1.387
local terms energy: -55.020465
where:
bonds (distance) C4'-P energy: -13.020
bonds (distance) P-C4' energy: -20.212
flat angles C4'-P-C4' energy: -12.649
flat angles P-C4'-P energy: -12.118
tors. eta vs tors. theta energy: 2.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 55
Temperature: 1.350000
Total energy: -105.356183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.356183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.356183 (E_RNA)
where:
Base-Base interactions energy: -47.026
where: short stacking energy: -35.910
Base-Backbone interact. energy: -0.906
local terms energy: -57.424582
where:
bonds (distance) C4'-P energy: -11.851
bonds (distance) P-C4' energy: -17.635
flat angles C4'-P-C4' energy: -18.527
flat angles P-C4'-P energy: -5.323
tors. eta vs tors. theta energy: -4.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 56
Temperature: 0.900000
Total energy: -288.520351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.520351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.520351 (E_RNA)
where:
Base-Base interactions energy: -199.940
where: short stacking energy: -84.375
Base-Backbone interact. energy: -0.003
local terms energy: -88.577489
where:
bonds (distance) C4'-P energy: -17.119
bonds (distance) P-C4' energy: -14.966
flat angles C4'-P-C4' energy: -19.950
flat angles P-C4'-P energy: -11.097
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: 2, replica: 10
=====================================
Write number: 56
Temperature: 0.950000
Total energy: -287.204459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.204459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.204459 (E_RNA)
where:
Base-Base interactions energy: -195.364
where: short stacking energy: -80.874
Base-Backbone interact. energy: -0.619
local terms energy: -91.221852
where:
bonds (distance) C4'-P energy: -19.550
bonds (distance) P-C4' energy: -17.375
flat angles C4'-P-C4' energy: -17.218
flat angles P-C4'-P energy: -11.237
tors. eta vs tors. theta energy: -25.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 56
Temperature: 1.000000
Total energy: -279.609002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.609002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.609002 (E_RNA)
where:
Base-Base interactions energy: -189.215
where: short stacking energy: -81.032
Base-Backbone interact. energy: 0.439
local terms energy: -90.832884
where:
bonds (distance) C4'-P energy: -17.162
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -19.935
flat angles P-C4'-P energy: -13.698
tors. eta vs tors. theta energy: -23.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 56
Temperature: 1.050000
Total energy: -276.082652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.082652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.082652 (E_RNA)
where:
Base-Base interactions energy: -191.702
where: short stacking energy: -71.996
Base-Backbone interact. energy: -0.127
local terms energy: -84.253557
where:
bonds (distance) C4'-P energy: -16.850
bonds (distance) P-C4' energy: -17.809
flat angles C4'-P-C4' energy: -12.422
flat angles P-C4'-P energy: -12.055
tors. eta vs tors. theta energy: -25.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 56
Temperature: 1.100000
Total energy: -270.224323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.224323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.224323 (E_RNA)
where:
Base-Base interactions energy: -183.072
where: short stacking energy: -86.354
Base-Backbone interact. energy: -0.010
local terms energy: -87.142334
where:
bonds (distance) C4'-P energy: -17.145
bonds (distance) P-C4' energy: -16.174
flat angles C4'-P-C4' energy: -17.862
flat angles P-C4'-P energy: -11.947
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: 6, replica: 5
=====================================
Write number: 56
Temperature: 1.150000
Total energy: -264.749890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.749890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.749890 (E_RNA)
where:
Base-Base interactions energy: -177.688
where: short stacking energy: -73.786
Base-Backbone interact. energy: -0.564
local terms energy: -86.498737
where:
bonds (distance) C4'-P energy: -20.407
bonds (distance) P-C4' energy: -15.876
flat angles C4'-P-C4' energy: -18.877
flat angles P-C4'-P energy: -9.459
tors. eta vs tors. theta energy: -21.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 56
Temperature: 1.200000
Total energy: -226.363094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.363094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.363094 (E_RNA)
where:
Base-Base interactions energy: -146.423
where: short stacking energy: -61.180
Base-Backbone interact. energy: -0.564
local terms energy: -79.375692
where:
bonds (distance) C4'-P energy: -13.232
bonds (distance) P-C4' energy: -18.953
flat angles C4'-P-C4' energy: -21.198
flat angles P-C4'-P energy: -9.745
tors. eta vs tors. theta energy: -16.248
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: 8
=====================================
Write number: 56
Temperature: 1.250000
Total energy: -96.767774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.767774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.767774 (E_RNA)
where:
Base-Base interactions energy: -33.418
where: short stacking energy: -30.273
Base-Backbone interact. energy: -0.183
local terms energy: -63.166971
where:
bonds (distance) C4'-P energy: -9.878
bonds (distance) P-C4' energy: -18.275
flat angles C4'-P-C4' energy: -18.109
flat angles P-C4'-P energy: -8.749
tors. eta vs tors. theta energy: -8.156
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: 9, replica: 9
=====================================
Write number: 56
Temperature: 1.300000
Total energy: -94.514862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.514862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.514862 (E_RNA)
where:
Base-Base interactions energy: -38.116
where: short stacking energy: -38.116
Base-Backbone interact. energy: -0.255
local terms energy: -56.143669
where:
bonds (distance) C4'-P energy: -16.924
bonds (distance) P-C4' energy: -15.827
flat angles C4'-P-C4' energy: -7.751
flat angles P-C4'-P energy: -11.968
tors. eta vs tors. theta energy: -3.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 56
Temperature: 1.350000
Total energy: -93.631323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.631323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.631323 (E_RNA)
where:
Base-Base interactions energy: -40.991
where: short stacking energy: -40.991
Base-Backbone interact. energy: 0.151
local terms energy: -52.791863
where:
bonds (distance) C4'-P energy: -10.956
bonds (distance) P-C4' energy: -11.006
flat angles C4'-P-C4' energy: -15.163
flat angles P-C4'-P energy: -8.872
tors. eta vs tors. theta energy: -6.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 57
Temperature: 0.900000
Total energy: -292.058585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.058585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.058585 (E_RNA)
where:
Base-Base interactions energy: -206.903
where: short stacking energy: -78.704
Base-Backbone interact. energy: 0.021
local terms energy: -85.176227
where:
bonds (distance) C4'-P energy: -14.158
bonds (distance) P-C4' energy: -17.266
flat angles C4'-P-C4' energy: -19.812
flat angles P-C4'-P energy: -9.179
tors. eta vs tors. theta energy: -24.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 57
Temperature: 0.950000
Total energy: -285.705718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.705718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.705718 (E_RNA)
where:
Base-Base interactions energy: -198.284
where: short stacking energy: -85.518
Base-Backbone interact. energy: -0.001
local terms energy: -87.420607
where:
bonds (distance) C4'-P energy: -14.968
bonds (distance) P-C4' energy: -16.364
flat angles C4'-P-C4' energy: -19.915
flat angles P-C4'-P energy: -12.774
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: 3, replica: 10
=====================================
Write number: 57
Temperature: 1.000000
Total energy: -282.335323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.335323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.335323 (E_RNA)
where:
Base-Base interactions energy: -195.013
where: short stacking energy: -83.302
Base-Backbone interact. energy: -0.161
local terms energy: -87.161370
where:
bonds (distance) C4'-P energy: -17.129
bonds (distance) P-C4' energy: -15.698
flat angles C4'-P-C4' energy: -16.167
flat angles P-C4'-P energy: -12.245
tors. eta vs tors. theta energy: -25.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 57
Temperature: 1.050000
Total energy: -273.680836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.680836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.680836 (E_RNA)
where:
Base-Base interactions energy: -188.496
where: short stacking energy: -72.045
Base-Backbone interact. energy: 2.483
local terms energy: -87.667652
where:
bonds (distance) C4'-P energy: -16.209
bonds (distance) P-C4' energy: -18.308
flat angles C4'-P-C4' energy: -19.518
flat angles P-C4'-P energy: -13.800
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: 3
=====================================
Write number: 57
Temperature: 1.100000
Total energy: -271.707824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.707824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.707824 (E_RNA)
where:
Base-Base interactions energy: -187.209
where: short stacking energy: -81.036
Base-Backbone interact. energy: -0.006
local terms energy: -84.492351
where:
bonds (distance) C4'-P energy: -16.982
bonds (distance) P-C4' energy: -14.990
flat angles C4'-P-C4' energy: -13.581
flat angles P-C4'-P energy: -12.772
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: 6, replica: 1
=====================================
Write number: 57
Temperature: 1.150000
Total energy: -213.427343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.427343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.427343 (E_RNA)
where:
Base-Base interactions energy: -137.564
where: short stacking energy: -59.631
Base-Backbone interact. energy: -0.042
local terms energy: -75.820741
where:
bonds (distance) C4'-P energy: -9.367
bonds (distance) P-C4' energy: -18.133
flat angles C4'-P-C4' energy: -20.745
flat angles P-C4'-P energy: -8.651
tors. eta vs tors. theta energy: -18.925
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: 5
=====================================
Write number: 57
Temperature: 1.200000
Total energy: -246.820450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.820450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.820450 (E_RNA)
where:
Base-Base interactions energy: -169.598
where: short stacking energy: -73.848
Base-Backbone interact. energy: -0.613
local terms energy: -76.610148
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -12.794
flat angles C4'-P-C4' energy: -19.773
flat angles P-C4'-P energy: -12.096
tors. eta vs tors. theta energy: -18.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 57
Temperature: 1.250000
Total energy: -90.574909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.574909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.574909 (E_RNA)
where:
Base-Base interactions energy: -29.676
where: short stacking energy: -29.676
Base-Backbone interact. energy: -0.106
local terms energy: -60.793144
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -17.559
flat angles C4'-P-C4' energy: -14.597
flat angles P-C4'-P energy: -13.596
tors. eta vs tors. theta energy: -2.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 57
Temperature: 1.300000
Total energy: -96.035963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.035963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.035963 (E_RNA)
where:
Base-Base interactions energy: -33.007
where: short stacking energy: -31.761
Base-Backbone interact. energy: -0.619
local terms energy: -62.410113
where:
bonds (distance) C4'-P energy: -16.630
bonds (distance) P-C4' energy: -16.511
flat angles C4'-P-C4' energy: -9.956
flat angles P-C4'-P energy: -11.249
tors. eta vs tors. theta energy: -8.064
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: 4
=====================================
Write number: 57
Temperature: 1.350000
Total energy: -122.458617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.458617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.458617 (E_RNA)
where:
Base-Base interactions energy: -56.601
where: short stacking energy: -40.404
Base-Backbone interact. energy: -0.186
local terms energy: -65.672579
where:
bonds (distance) C4'-P energy: -14.388
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -16.081
flat angles P-C4'-P energy: -10.513
tors. eta vs tors. theta energy: -9.829
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: 7
=====================================
Write number: 58
Temperature: 0.900000
Total energy: -289.184441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.184441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.184441 (E_RNA)
where:
Base-Base interactions energy: -191.973
where: short stacking energy: -77.283
Base-Backbone interact. energy: -2.627
local terms energy: -94.584387
where:
bonds (distance) C4'-P energy: -17.924
bonds (distance) P-C4' energy: -18.582
flat angles C4'-P-C4' energy: -18.897
flat angles P-C4'-P energy: -14.851
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: 2, replica: 6
=====================================
Write number: 58
Temperature: 0.950000
Total energy: -281.797096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.797096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.797096 (E_RNA)
where:
Base-Base interactions energy: -191.957
where: short stacking energy: -76.619
Base-Backbone interact. energy: -0.076
local terms energy: -89.764395
where:
bonds (distance) C4'-P energy: -16.444
bonds (distance) P-C4' energy: -18.565
flat angles C4'-P-C4' energy: -18.811
flat angles P-C4'-P energy: -12.730
tors. eta vs tors. theta energy: -23.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 58
Temperature: 1.000000
Total energy: -281.714140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.714140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.714140 (E_RNA)
where:
Base-Base interactions energy: -191.199
where: short stacking energy: -73.309
Base-Backbone interact. energy: -0.137
local terms energy: -90.378424
where:
bonds (distance) C4'-P energy: -16.739
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -19.060
flat angles P-C4'-P energy: -14.699
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: 10
=====================================
Write number: 58
Temperature: 1.050000
Total energy: -276.859140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.859140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.859140 (E_RNA)
where:
Base-Base interactions energy: -191.889
where: short stacking energy: -76.136
Base-Backbone interact. energy: -1.346
local terms energy: -83.623523
where:
bonds (distance) C4'-P energy: -11.518
bonds (distance) P-C4' energy: -13.726
flat angles C4'-P-C4' energy: -19.786
flat angles P-C4'-P energy: -15.406
tors. eta vs tors. theta energy: -23.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 58
Temperature: 1.100000
Total energy: -272.380770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.380770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.380770 (E_RNA)
where:
Base-Base interactions energy: -187.183
where: short stacking energy: -76.414
Base-Backbone interact. energy: 0.056
local terms energy: -85.253008
where:
bonds (distance) C4'-P energy: -15.576
bonds (distance) P-C4' energy: -17.648
flat angles C4'-P-C4' energy: -18.665
flat angles P-C4'-P energy: -13.220
tors. eta vs tors. theta energy: -20.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 58
Temperature: 1.150000
Total energy: -199.347173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.347173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.347173 (E_RNA)
where:
Base-Base interactions energy: -131.186
where: short stacking energy: -42.045
Base-Backbone interact. energy: -0.712
local terms energy: -67.449000
where:
bonds (distance) C4'-P energy: -13.782
bonds (distance) P-C4' energy: -13.872
flat angles C4'-P-C4' energy: -14.530
flat angles P-C4'-P energy: -11.266
tors. eta vs tors. theta energy: -13.999
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: 5
=====================================
Write number: 58
Temperature: 1.200000
Total energy: -257.168023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.168023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.168023 (E_RNA)
where:
Base-Base interactions energy: -180.797
where: short stacking energy: -74.322
Base-Backbone interact. energy: -0.404
local terms energy: -75.966339
where:
bonds (distance) C4'-P energy: -12.011
bonds (distance) P-C4' energy: -17.436
flat angles C4'-P-C4' energy: -10.992
flat angles P-C4'-P energy: -10.760
tors. eta vs tors. theta energy: -24.768
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: 9
=====================================
Write number: 58
Temperature: 1.250000
Total energy: -98.622394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.622394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.622394 (E_RNA)
where:
Base-Base interactions energy: -30.090
where: short stacking energy: -28.685
Base-Backbone interact. energy: 0.562
local terms energy: -69.094855
where:
bonds (distance) C4'-P energy: -12.474
bonds (distance) P-C4' energy: -20.244
flat angles C4'-P-C4' energy: -16.883
flat angles P-C4'-P energy: -13.374
tors. eta vs tors. theta energy: -6.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 58
Temperature: 1.300000
Total energy: -82.176069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.176069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.176069 (E_RNA)
where:
Base-Base interactions energy: -32.536
where: short stacking energy: -29.657
Base-Backbone interact. energy: 0.170
local terms energy: -49.809952
where:
bonds (distance) C4'-P energy: -12.301
bonds (distance) P-C4' energy: -18.073
flat angles C4'-P-C4' energy: -9.514
flat angles P-C4'-P energy: -8.608
tors. eta vs tors. theta energy: -1.314
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 58
Temperature: 1.350000
Total energy: -89.538944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.538944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.538944 (E_RNA)
where:
Base-Base interactions energy: -33.764
where: short stacking energy: -33.764
Base-Backbone interact. energy: -0.160
local terms energy: -55.615117
where:
bonds (distance) C4'-P energy: -14.910
bonds (distance) P-C4' energy: -19.536
flat angles C4'-P-C4' energy: -7.695
flat angles P-C4'-P energy: -10.603
tors. eta vs tors. theta energy: -2.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 59
Temperature: 0.900000
Total energy: -283.984035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.984035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.984035 (E_RNA)
where:
Base-Base interactions energy: -192.116
where: short stacking energy: -79.176
Base-Backbone interact. energy: -0.001
local terms energy: -91.867048
where:
bonds (distance) C4'-P energy: -19.062
bonds (distance) P-C4' energy: -16.962
flat angles C4'-P-C4' energy: -19.033
flat angles P-C4'-P energy: -11.744
tors. eta vs tors. theta energy: -25.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 59
Temperature: 0.950000
Total energy: -284.184766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.184766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.184766 (E_RNA)
where:
Base-Base interactions energy: -203.413
where: short stacking energy: -82.413
Base-Backbone interact. energy: -0.269
local terms energy: -80.502786
where:
bonds (distance) C4'-P energy: -16.498
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -16.362
flat angles P-C4'-P energy: -11.583
tors. eta vs tors. theta energy: -20.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 59
Temperature: 1.000000
Total energy: -273.311352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.311352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.311352 (E_RNA)
where:
Base-Base interactions energy: -185.492
where: short stacking energy: -78.353
Base-Backbone interact. energy: -0.486
local terms energy: -87.333274
where:
bonds (distance) C4'-P energy: -17.459
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -19.859
flat angles P-C4'-P energy: -10.211
tors. eta vs tors. theta energy: -21.834
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: 3
=====================================
Write number: 59
Temperature: 1.050000
Total energy: -272.907874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.907874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.907874 (E_RNA)
where:
Base-Base interactions energy: -193.134
where: short stacking energy: -73.865
Base-Backbone interact. energy: 0.031
local terms energy: -79.804778
where:
bonds (distance) C4'-P energy: -11.908
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -14.743
flat angles P-C4'-P energy: -16.452
tors. eta vs tors. theta energy: -20.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 59
Temperature: 1.100000
Total energy: -260.454104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.454104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.454104 (E_RNA)
where:
Base-Base interactions energy: -173.718
where: short stacking energy: -73.526
Base-Backbone interact. energy: -0.028
local terms energy: -86.707721
where:
bonds (distance) C4'-P energy: -15.839
bonds (distance) P-C4' energy: -20.576
flat angles C4'-P-C4' energy: -16.255
flat angles P-C4'-P energy: -12.875
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: 6, replica: 5
=====================================
Write number: 59
Temperature: 1.150000
Total energy: -266.000093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.000093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.000093 (E_RNA)
where:
Base-Base interactions energy: -187.139
where: short stacking energy: -65.903
Base-Backbone interact. energy: -0.647
local terms energy: -78.213224
where:
bonds (distance) C4'-P energy: -14.462
bonds (distance) P-C4' energy: -17.793
flat angles C4'-P-C4' energy: -17.006
flat angles P-C4'-P energy: -7.505
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: 7, replica: 1
=====================================
Write number: 59
Temperature: 1.200000
Total energy: -211.079512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.079512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.079512 (E_RNA)
where:
Base-Base interactions energy: -144.924
where: short stacking energy: -56.395
Base-Backbone interact. energy: -0.055
local terms energy: -66.100466
where:
bonds (distance) C4'-P energy: -17.661
bonds (distance) P-C4' energy: -11.929
flat angles C4'-P-C4' energy: -18.711
flat angles P-C4'-P energy: -5.271
tors. eta vs tors. theta energy: -12.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 59
Temperature: 1.250000
Total energy: -112.000060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.000060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.000060 (E_RNA)
where:
Base-Base interactions energy: -39.123
where: short stacking energy: -34.870
Base-Backbone interact. energy: -0.781
local terms energy: -72.095976
where:
bonds (distance) C4'-P energy: -16.756
bonds (distance) P-C4' energy: -16.938
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -13.863
tors. eta vs tors. theta energy: -10.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 59
Temperature: 1.300000
Total energy: -102.085104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.085104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.085104 (E_RNA)
where:
Base-Base interactions energy: -40.225
where: short stacking energy: -37.248
Base-Backbone interact. energy: 0.619
local terms energy: -62.479085
where:
bonds (distance) C4'-P energy: -19.069
bonds (distance) P-C4' energy: -16.207
flat angles C4'-P-C4' energy: -14.744
flat angles P-C4'-P energy: -10.393
tors. eta vs tors. theta energy: -2.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 59
Temperature: 1.350000
Total energy: -93.364661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.364661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.364661 (E_RNA)
where:
Base-Base interactions energy: -32.605
where: short stacking energy: -27.433
Base-Backbone interact. energy: -0.287
local terms energy: -60.472209
where:
bonds (distance) C4'-P energy: -16.582
bonds (distance) P-C4' energy: -18.487
flat angles C4'-P-C4' energy: -15.637
flat angles P-C4'-P energy: -9.307
tors. eta vs tors. theta energy: -0.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 60
Temperature: 0.900000
Total energy: -287.874450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.874450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.874450 (E_RNA)
where:
Base-Base interactions energy: -192.582
where: short stacking energy: -80.230
Base-Backbone interact. energy: -0.044
local terms energy: -95.248081
where:
bonds (distance) C4'-P energy: -18.531
bonds (distance) P-C4' energy: -18.360
flat angles C4'-P-C4' energy: -19.791
flat angles P-C4'-P energy: -12.458
tors. eta vs tors. theta energy: -26.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 60
Temperature: 0.950000
Total energy: -294.321590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.321590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.321590 (E_RNA)
where:
Base-Base interactions energy: -198.316
where: short stacking energy: -80.372
Base-Backbone interact. energy: -1.948
local terms energy: -94.056737
where:
bonds (distance) C4'-P energy: -15.675
bonds (distance) P-C4' energy: -19.055
flat angles C4'-P-C4' energy: -18.115
flat angles P-C4'-P energy: -16.935
tors. eta vs tors. theta energy: -24.276
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: 3
=====================================
Write number: 60
Temperature: 1.000000
Total energy: -281.121826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.121826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.121826 (E_RNA)
where:
Base-Base interactions energy: -193.849
where: short stacking energy: -83.200
Base-Backbone interact. energy: -0.282
local terms energy: -86.990100
where:
bonds (distance) C4'-P energy: -16.775
bonds (distance) P-C4' energy: -18.138
flat angles C4'-P-C4' energy: -14.587
flat angles P-C4'-P energy: -11.738
tors. eta vs tors. theta energy: -25.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 60
Temperature: 1.050000
Total energy: -273.629374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.629374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.629374 (E_RNA)
where:
Base-Base interactions energy: -185.420
where: short stacking energy: -76.634
Base-Backbone interact. energy: -0.236
local terms energy: -87.973599
where:
bonds (distance) C4'-P energy: -19.914
bonds (distance) P-C4' energy: -18.732
flat angles C4'-P-C4' energy: -17.734
flat angles P-C4'-P energy: -12.027
tors. eta vs tors. theta energy: -19.567
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: 5, replica: 5
=====================================
Write number: 60
Temperature: 1.100000
Total energy: -267.383092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.383092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.383092 (E_RNA)
where:
Base-Base interactions energy: -172.816
where: short stacking energy: -74.696
Base-Backbone interact. energy: -0.001
local terms energy: -94.565983
where:
bonds (distance) C4'-P energy: -20.991
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -21.373
flat angles P-C4'-P energy: -11.000
tors. eta vs tors. theta energy: -23.742
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: 10
=====================================
Write number: 60
Temperature: 1.150000
Total energy: -255.081421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.081421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.081421 (E_RNA)
where:
Base-Base interactions energy: -174.563
where: short stacking energy: -71.355
Base-Backbone interact. energy: -1.476
local terms energy: -79.042394
where:
bonds (distance) C4'-P energy: -11.286
bonds (distance) P-C4' energy: -18.259
flat angles C4'-P-C4' energy: -16.110
flat angles P-C4'-P energy: -11.618
tors. eta vs tors. theta energy: -21.769
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 60
Temperature: 1.200000
Total energy: -195.202973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.202973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.202973 (E_RNA)
where:
Base-Base interactions energy: -118.189
where: short stacking energy: -57.168
Base-Backbone interact. energy: -0.073
local terms energy: -76.941411
where:
bonds (distance) C4'-P energy: -19.720
bonds (distance) P-C4' energy: -19.775
flat angles C4'-P-C4' energy: -11.807
flat angles P-C4'-P energy: -8.748
tors. eta vs tors. theta energy: -16.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 60
Temperature: 1.250000
Total energy: -100.168254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.168254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.168254 (E_RNA)
where:
Base-Base interactions energy: -43.862
where: short stacking energy: -23.271
Base-Backbone interact. energy: -0.289
local terms energy: -56.016992
where:
bonds (distance) C4'-P energy: -19.984
bonds (distance) P-C4' energy: -16.057
flat angles C4'-P-C4' energy: -15.066
flat angles P-C4'-P energy: -6.929
tors. eta vs tors. theta energy: 2.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 60
Temperature: 1.300000
Total energy: -83.641821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.641821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.641821 (E_RNA)
where:
Base-Base interactions energy: -33.638
where: short stacking energy: -30.318
Base-Backbone interact. energy: -0.030
local terms energy: -49.973569
where:
bonds (distance) C4'-P energy: -15.621
bonds (distance) P-C4' energy: -15.131
flat angles C4'-P-C4' energy: -14.720
flat angles P-C4'-P energy: -5.475
tors. eta vs tors. theta energy: 0.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 60
Temperature: 1.350000
Total energy: -84.690211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.690211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.690211 (E_RNA)
where:
Base-Base interactions energy: -35.096
where: short stacking energy: -35.096
Base-Backbone interact. energy: -0.248
local terms energy: -49.346045
where:
bonds (distance) C4'-P energy: -10.753
bonds (distance) P-C4' energy: -11.874
flat angles C4'-P-C4' energy: -15.630
flat angles P-C4'-P energy: -9.918
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: 1, replica: 2
=====================================
Write number: 61
Temperature: 0.900000
Total energy: -291.523011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.523011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.523011 (E_RNA)
where:
Base-Base interactions energy: -195.104
where: short stacking energy: -86.622
Base-Backbone interact. energy: -0.072
local terms energy: -96.347723
where:
bonds (distance) C4'-P energy: -18.639
bonds (distance) P-C4' energy: -15.555
flat angles C4'-P-C4' energy: -20.533
flat angles P-C4'-P energy: -13.185
tors. eta vs tors. theta energy: -28.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 61
Temperature: 0.950000
Total energy: -282.419204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.419204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.419204 (E_RNA)
where:
Base-Base interactions energy: -193.273
where: short stacking energy: -74.763
Base-Backbone interact. energy: -1.378
local terms energy: -87.768231
where:
bonds (distance) C4'-P energy: -13.290
bonds (distance) P-C4' energy: -16.652
flat angles C4'-P-C4' energy: -19.082
flat angles P-C4'-P energy: -17.118
tors. eta vs tors. theta energy: -21.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 61
Temperature: 1.000000
Total energy: -284.053812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.053812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.053812 (E_RNA)
where:
Base-Base interactions energy: -202.227
where: short stacking energy: -77.067
Base-Backbone interact. energy: -0.239
local terms energy: -81.587320
where:
bonds (distance) C4'-P energy: -14.941
bonds (distance) P-C4' energy: -16.380
flat angles C4'-P-C4' energy: -18.555
flat angles P-C4'-P energy: -7.114
tors. eta vs tors. theta energy: -24.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 61
Temperature: 1.050000
Total energy: -263.767700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.767700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.767700 (E_RNA)
where:
Base-Base interactions energy: -178.227
where: short stacking energy: -74.187
Base-Backbone interact. energy: -0.055
local terms energy: -85.486549
where:
bonds (distance) C4'-P energy: -14.552
bonds (distance) P-C4' energy: -19.632
flat angles C4'-P-C4' energy: -18.003
flat angles P-C4'-P energy: -11.640
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: 6
=====================================
Write number: 61
Temperature: 1.100000
Total energy: -263.839398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.839398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.839398 (E_RNA)
where:
Base-Base interactions energy: -184.606
where: short stacking energy: -74.506
Base-Backbone interact. energy: -0.101
local terms energy: -79.132541
where:
bonds (distance) C4'-P energy: -18.580
bonds (distance) P-C4' energy: -11.440
flat angles C4'-P-C4' energy: -18.247
flat angles P-C4'-P energy: -10.039
tors. eta vs tors. theta energy: -20.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 61
Temperature: 1.150000
Total energy: -266.053107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.053107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.053107 (E_RNA)
where:
Base-Base interactions energy: -173.025
where: short stacking energy: -68.095
Base-Backbone interact. energy: -0.988
local terms energy: -92.040008
where:
bonds (distance) C4'-P energy: -18.001
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -19.769
flat angles P-C4'-P energy: -14.949
tors. eta vs tors. theta energy: -21.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 61
Temperature: 1.200000
Total energy: -195.472492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.472492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.472492 (E_RNA)
where:
Base-Base interactions energy: -117.004
where: short stacking energy: -66.971
Base-Backbone interact. energy: -0.052
local terms energy: -78.416311
where:
bonds (distance) C4'-P energy: -16.414
bonds (distance) P-C4' energy: -18.900
flat angles C4'-P-C4' energy: -13.852
flat angles P-C4'-P energy: -11.393
tors. eta vs tors. theta energy: -17.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 61
Temperature: 1.250000
Total energy: -95.475523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.475523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.475523 (E_RNA)
where:
Base-Base interactions energy: -38.437
where: short stacking energy: -35.752
Base-Backbone interact. energy: 1.894
local terms energy: -58.932878
where:
bonds (distance) C4'-P energy: -13.928
bonds (distance) P-C4' energy: -21.980
flat angles C4'-P-C4' energy: -12.091
flat angles P-C4'-P energy: -9.704
tors. eta vs tors. theta energy: -1.230
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: 61
Temperature: 1.300000
Total energy: -101.534928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.534928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.534928 (E_RNA)
where:
Base-Base interactions energy: -47.368
where: short stacking energy: -15.830
Base-Backbone interact. energy: 0.758
local terms energy: -54.924553
where:
bonds (distance) C4'-P energy: -19.492
bonds (distance) P-C4' energy: -15.286
flat angles C4'-P-C4' energy: -17.445
flat angles P-C4'-P energy: -7.746
tors. eta vs tors. theta energy: 5.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 61
Temperature: 1.350000
Total energy: -78.416006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.416006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.416006 (E_RNA)
where:
Base-Base interactions energy: -32.630
where: short stacking energy: -32.233
Base-Backbone interact. energy: -0.122
local terms energy: -45.663448
where:
bonds (distance) C4'-P energy: -11.943
bonds (distance) P-C4' energy: -12.923
flat angles C4'-P-C4' energy: -8.005
flat angles P-C4'-P energy: -8.146
tors. eta vs tors. theta energy: -4.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 62
Temperature: 0.900000
Total energy: -288.237090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.237090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.237090 (E_RNA)
where:
Base-Base interactions energy: -197.004
where: short stacking energy: -81.683
Base-Backbone interact. energy: -0.074
local terms energy: -91.158826
where:
bonds (distance) C4'-P energy: -15.153
bonds (distance) P-C4' energy: -18.827
flat angles C4'-P-C4' energy: -21.493
flat angles P-C4'-P energy: -9.816
tors. eta vs tors. theta energy: -25.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 62
Temperature: 0.950000
Total energy: -286.104662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.104662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.104662 (E_RNA)
where:
Base-Base interactions energy: -193.097
where: short stacking energy: -85.258
Base-Backbone interact. energy: -1.046
local terms energy: -91.961154
where:
bonds (distance) C4'-P energy: -12.648
bonds (distance) P-C4' energy: -20.157
flat angles C4'-P-C4' energy: -18.651
flat angles P-C4'-P energy: -12.344
tors. eta vs tors. theta energy: -28.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 62
Temperature: 1.000000
Total energy: -275.030676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.030676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.030676 (E_RNA)
where:
Base-Base interactions energy: -178.445
where: short stacking energy: -77.071
Base-Backbone interact. energy: -0.098
local terms energy: -96.487996
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -18.824
flat angles C4'-P-C4' energy: -20.338
flat angles P-C4'-P energy: -16.906
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: 4, replica: 3
=====================================
Write number: 62
Temperature: 1.050000
Total energy: -274.338553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.338553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.338553 (E_RNA)
where:
Base-Base interactions energy: -192.608
where: short stacking energy: -81.383
Base-Backbone interact. energy: -0.003
local terms energy: -81.727637
where:
bonds (distance) C4'-P energy: -18.726
bonds (distance) P-C4' energy: -8.230
flat angles C4'-P-C4' energy: -14.674
flat angles P-C4'-P energy: -14.978
tors. eta vs tors. theta energy: -25.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 62
Temperature: 1.100000
Total energy: -249.890014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.890014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.890014 (E_RNA)
where:
Base-Base interactions energy: -171.205
where: short stacking energy: -67.660
Base-Backbone interact. energy: -0.409
local terms energy: -78.276448
where:
bonds (distance) C4'-P energy: -18.175
bonds (distance) P-C4' energy: -16.804
flat angles C4'-P-C4' energy: -16.282
flat angles P-C4'-P energy: -6.930
tors. eta vs tors. theta energy: -20.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 62
Temperature: 1.150000
Total energy: -261.270099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.270099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.270099 (E_RNA)
where:
Base-Base interactions energy: -177.570
where: short stacking energy: -68.269
Base-Backbone interact. energy: 0.955
local terms energy: -84.655109
where:
bonds (distance) C4'-P energy: -16.570
bonds (distance) P-C4' energy: -18.611
flat angles C4'-P-C4' energy: -18.135
flat angles P-C4'-P energy: -13.318
tors. eta vs tors. theta energy: -18.022
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: 1
=====================================
Write number: 62
Temperature: 1.200000
Total energy: -194.397122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.397122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.397122 (E_RNA)
where:
Base-Base interactions energy: -117.011
where: short stacking energy: -53.543
Base-Backbone interact. energy: -1.486
local terms energy: -75.899418
where:
bonds (distance) C4'-P energy: -18.995
bonds (distance) P-C4' energy: -20.641
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -10.729
tors. eta vs tors. theta energy: -10.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 62
Temperature: 1.250000
Total energy: -102.405115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.405115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.405115 (E_RNA)
where:
Base-Base interactions energy: -48.384
where: short stacking energy: -33.966
Base-Backbone interact. energy: -0.091
local terms energy: -53.929700
where:
bonds (distance) C4'-P energy: -17.978
bonds (distance) P-C4' energy: -20.091
flat angles C4'-P-C4' energy: -13.300
flat angles P-C4'-P energy: -5.023
tors. eta vs tors. theta energy: 2.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 62
Temperature: 1.300000
Total energy: -108.682830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.682830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.682830 (E_RNA)
where:
Base-Base interactions energy: -49.520
where: short stacking energy: -37.036
Base-Backbone interact. energy: 2.979
local terms energy: -62.142139
where:
bonds (distance) C4'-P energy: -19.265
bonds (distance) P-C4' energy: -16.298
flat angles C4'-P-C4' energy: -11.809
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: -5.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 62
Temperature: 1.350000
Total energy: -82.540587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.540587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.540587 (E_RNA)
where:
Base-Base interactions energy: -35.201
where: short stacking energy: -31.996
Base-Backbone interact. energy: -0.544
local terms energy: -46.795131
where:
bonds (distance) C4'-P energy: -17.441
bonds (distance) P-C4' energy: -13.407
flat angles C4'-P-C4' energy: -12.060
flat angles P-C4'-P energy: -6.237
tors. eta vs tors. theta energy: 2.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 63
Temperature: 0.900000
Total energy: -293.303199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.303199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.303199 (E_RNA)
where:
Base-Base interactions energy: -202.980
where: short stacking energy: -83.735
Base-Backbone interact. energy: -0.779
local terms energy: -89.544542
where:
bonds (distance) C4'-P energy: -14.420
bonds (distance) P-C4' energy: -16.588
flat angles C4'-P-C4' energy: -20.812
flat angles P-C4'-P energy: -14.875
tors. eta vs tors. theta energy: -22.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 63
Temperature: 0.950000
Total energy: -284.628213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.628213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.628213 (E_RNA)
where:
Base-Base interactions energy: -196.067
where: short stacking energy: -79.867
Base-Backbone interact. energy: -0.090
local terms energy: -88.471815
where:
bonds (distance) C4'-P energy: -20.784
bonds (distance) P-C4' energy: -19.865
flat angles C4'-P-C4' energy: -18.507
flat angles P-C4'-P energy: -7.806
tors. eta vs tors. theta energy: -21.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 63
Temperature: 1.000000
Total energy: -273.589179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.589179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.589179 (E_RNA)
where:
Base-Base interactions energy: -189.806
where: short stacking energy: -72.025
Base-Backbone interact. energy: 0.446
local terms energy: -84.228367
where:
bonds (distance) C4'-P energy: -18.226
bonds (distance) P-C4' energy: -18.752
flat angles C4'-P-C4' energy: -16.212
flat angles P-C4'-P energy: -11.885
tors. eta vs tors. theta energy: -19.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 63
Temperature: 1.050000
Total energy: -259.815349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.815349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.815349 (E_RNA)
where:
Base-Base interactions energy: -177.690
where: short stacking energy: -73.159
Base-Backbone interact. energy: 0.563
local terms energy: -82.688380
where:
bonds (distance) C4'-P energy: -18.303
bonds (distance) P-C4' energy: -17.241
flat angles C4'-P-C4' energy: -16.197
flat angles P-C4'-P energy: -12.715
tors. eta vs tors. theta energy: -18.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 63
Temperature: 1.100000
Total energy: -271.422930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.422930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.422930 (E_RNA)
where:
Base-Base interactions energy: -178.510
where: short stacking energy: -80.660
Base-Backbone interact. energy: -0.116
local terms energy: -92.796841
where:
bonds (distance) C4'-P energy: -15.289
bonds (distance) P-C4' energy: -17.223
flat angles C4'-P-C4' energy: -20.125
flat angles P-C4'-P energy: -16.139
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: 6, replica: 6
=====================================
Write number: 63
Temperature: 1.150000
Total energy: -257.640808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.640808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.640808 (E_RNA)
where:
Base-Base interactions energy: -169.373
where: short stacking energy: -66.541
Base-Backbone interact. energy: -0.218
local terms energy: -88.049486
where:
bonds (distance) C4'-P energy: -17.206
bonds (distance) P-C4' energy: -18.557
flat angles C4'-P-C4' energy: -17.598
flat angles P-C4'-P energy: -10.938
tors. eta vs tors. theta energy: -23.750
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: 1
=====================================
Write number: 63
Temperature: 1.200000
Total energy: -199.050349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.050349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.050349 (E_RNA)
where:
Base-Base interactions energy: -128.434
where: short stacking energy: -56.925
Base-Backbone interact. energy: -0.118
local terms energy: -70.499105
where:
bonds (distance) C4'-P energy: -14.200
bonds (distance) P-C4' energy: -15.722
flat angles C4'-P-C4' energy: -16.164
flat angles P-C4'-P energy: -6.649
tors. eta vs tors. theta energy: -17.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 63
Temperature: 1.250000
Total energy: -87.391769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.391769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.391769 (E_RNA)
where:
Base-Base interactions energy: -36.021
where: short stacking energy: -32.954
Base-Backbone interact. energy: 0.308
local terms energy: -51.678906
where:
bonds (distance) C4'-P energy: -15.214
bonds (distance) P-C4' energy: -17.309
flat angles C4'-P-C4' energy: -11.549
flat angles P-C4'-P energy: -6.717
tors. eta vs tors. theta energy: -0.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 63
Temperature: 1.300000
Total energy: -96.089629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.089629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.089629 (E_RNA)
where:
Base-Base interactions energy: -38.281
where: short stacking energy: -36.368
Base-Backbone interact. energy: -0.123
local terms energy: -57.685668
where:
bonds (distance) C4'-P energy: -11.870
bonds (distance) P-C4' energy: -17.318
flat angles C4'-P-C4' energy: -13.817
flat angles P-C4'-P energy: -4.140
tors. eta vs tors. theta energy: -10.541
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: 10, replica: 4
=====================================
Write number: 63
Temperature: 1.350000
Total energy: -116.541166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.541166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.541166 (E_RNA)
where:
Base-Base interactions energy: -59.913
where: short stacking energy: -27.194
Base-Backbone interact. energy: -0.106
local terms energy: -56.521782
where:
bonds (distance) C4'-P energy: -17.725
bonds (distance) P-C4' energy: -15.454
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -5.321
tors. eta vs tors. theta energy: -4.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 64
Temperature: 0.900000
Total energy: -292.940126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.940126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.940126 (E_RNA)
where:
Base-Base interactions energy: -199.831
where: short stacking energy: -77.228
Base-Backbone interact. energy: -0.133
local terms energy: -92.975776
where:
bonds (distance) C4'-P energy: -19.658
bonds (distance) P-C4' energy: -13.664
flat angles C4'-P-C4' energy: -18.593
flat angles P-C4'-P energy: -16.468
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: 2, replica: 7
=====================================
Write number: 64
Temperature: 0.950000
Total energy: -290.353668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.353668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.353668 (E_RNA)
where:
Base-Base interactions energy: -191.874
where: short stacking energy: -80.589
Base-Backbone interact. energy: -0.791
local terms energy: -97.689011
where:
bonds (distance) C4'-P energy: -18.686
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -18.299
flat angles P-C4'-P energy: -15.341
tors. eta vs tors. theta energy: -27.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 64
Temperature: 1.000000
Total energy: -274.763723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.763723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.763723 (E_RNA)
where:
Base-Base interactions energy: -188.992
where: short stacking energy: -73.379
Base-Backbone interact. energy: -0.362
local terms energy: -85.409292
where:
bonds (distance) C4'-P energy: -17.461
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -18.472
flat angles P-C4'-P energy: -7.969
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: 4, replica: 5
=====================================
Write number: 64
Temperature: 1.050000
Total energy: -266.193909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.193909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.193909 (E_RNA)
where:
Base-Base interactions energy: -185.898
where: short stacking energy: -71.377
Base-Backbone interact. energy: -0.321
local terms energy: -79.974063
where:
bonds (distance) C4'-P energy: -18.019
bonds (distance) P-C4' energy: -14.596
flat angles C4'-P-C4' energy: -17.942
flat angles P-C4'-P energy: -9.935
tors. eta vs tors. theta energy: -19.483
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: 6
=====================================
Write number: 64
Temperature: 1.100000
Total energy: -265.395647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.395647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.395647 (E_RNA)
where:
Base-Base interactions energy: -179.511
where: short stacking energy: -74.301
Base-Backbone interact. energy: 0.852
local terms energy: -86.735927
where:
bonds (distance) C4'-P energy: -16.493
bonds (distance) P-C4' energy: -12.350
flat angles C4'-P-C4' energy: -19.480
flat angles P-C4'-P energy: -16.647
tors. eta vs tors. theta energy: -21.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 64
Temperature: 1.150000
Total energy: -259.364032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.364032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.364032 (E_RNA)
where:
Base-Base interactions energy: -176.888
where: short stacking energy: -77.170
Base-Backbone interact. energy: -0.727
local terms energy: -81.748761
where:
bonds (distance) C4'-P energy: -10.673
bonds (distance) P-C4' energy: -16.266
flat angles C4'-P-C4' energy: -13.671
flat angles P-C4'-P energy: -14.202
tors. eta vs tors. theta energy: -26.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 64
Temperature: 1.200000
Total energy: -192.125066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.125066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.125066 (E_RNA)
where:
Base-Base interactions energy: -121.671
where: short stacking energy: -59.585
Base-Backbone interact. energy: -0.125
local terms energy: -70.329350
where:
bonds (distance) C4'-P energy: -16.235
bonds (distance) P-C4' energy: -19.306
flat angles C4'-P-C4' energy: -12.909
flat angles P-C4'-P energy: -8.920
tors. eta vs tors. theta energy: -12.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 64
Temperature: 1.250000
Total energy: -84.176167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.176167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.176167 (E_RNA)
where:
Base-Base interactions energy: -31.117
where: short stacking energy: -26.570
Base-Backbone interact. energy: -0.410
local terms energy: -52.649271
where:
bonds (distance) C4'-P energy: -16.246
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -12.779
flat angles P-C4'-P energy: -9.970
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: 9, replica: 4
=====================================
Write number: 64
Temperature: 1.300000
Total energy: -118.425616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.425616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.425616 (E_RNA)
where:
Base-Base interactions energy: -55.088
where: short stacking energy: -23.404
Base-Backbone interact. energy: -1.189
local terms energy: -62.148732
where:
bonds (distance) C4'-P energy: -17.790
bonds (distance) P-C4' energy: -18.364
flat angles C4'-P-C4' energy: -17.928
flat angles P-C4'-P energy: -9.536
tors. eta vs tors. theta energy: 1.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 64
Temperature: 1.350000
Total energy: -83.025016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.025016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.025016 (E_RNA)
where:
Base-Base interactions energy: -25.683
where: short stacking energy: -21.739
Base-Backbone interact. energy: -0.152
local terms energy: -57.190512
where:
bonds (distance) C4'-P energy: -18.617
bonds (distance) P-C4' energy: -15.420
flat angles C4'-P-C4' energy: -15.526
flat angles P-C4'-P energy: -7.776
tors. eta vs tors. theta energy: 0.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 65
Temperature: 0.900000
Total energy: -284.264083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.264083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.264083 (E_RNA)
where:
Base-Base interactions energy: -197.227
where: short stacking energy: -77.606
Base-Backbone interact. energy: 0.374
local terms energy: -87.411027
where:
bonds (distance) C4'-P energy: -15.276
bonds (distance) P-C4' energy: -14.568
flat angles C4'-P-C4' energy: -17.822
flat angles P-C4'-P energy: -14.204
tors. eta vs tors. theta energy: -25.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 65
Temperature: 0.950000
Total energy: -279.471463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.471463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.471463 (E_RNA)
where:
Base-Base interactions energy: -187.184
where: short stacking energy: -70.617
Base-Backbone interact. energy: -0.515
local terms energy: -91.773152
where:
bonds (distance) C4'-P energy: -17.687
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -18.215
flat angles P-C4'-P energy: -12.821
tors. eta vs tors. theta energy: -25.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 65
Temperature: 1.000000
Total energy: -279.309368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.309368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.309368 (E_RNA)
where:
Base-Base interactions energy: -189.352
where: short stacking energy: -76.353
Base-Backbone interact. energy: -0.001
local terms energy: -89.956945
where:
bonds (distance) C4'-P energy: -19.289
bonds (distance) P-C4' energy: -15.984
flat angles C4'-P-C4' energy: -16.157
flat angles P-C4'-P energy: -14.519
tors. eta vs tors. theta energy: -24.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 65
Temperature: 1.050000
Total energy: -265.886695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.886695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.886695 (E_RNA)
where:
Base-Base interactions energy: -176.599
where: short stacking energy: -80.478
Base-Backbone interact. energy: -0.265
local terms energy: -89.022445
where:
bonds (distance) C4'-P energy: -18.853
bonds (distance) P-C4' energy: -18.752
flat angles C4'-P-C4' energy: -19.213
flat angles P-C4'-P energy: -8.050
tors. eta vs tors. theta energy: -24.155
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 65
Temperature: 1.100000
Total energy: -270.468513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.468513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.468513 (E_RNA)
where:
Base-Base interactions energy: -184.014
where: short stacking energy: -81.243
Base-Backbone interact. energy: -0.466
local terms energy: -85.987715
where:
bonds (distance) C4'-P energy: -9.818
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -17.380
flat angles P-C4'-P energy: -14.578
tors. eta vs tors. theta energy: -25.773
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 65
Temperature: 1.150000
Total energy: -259.723003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.723003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.723003 (E_RNA)
where:
Base-Base interactions energy: -175.114
where: short stacking energy: -72.317
Base-Backbone interact. energy: -1.931
local terms energy: -82.678050
where:
bonds (distance) C4'-P energy: -15.945
bonds (distance) P-C4' energy: -16.236
flat angles C4'-P-C4' energy: -17.523
flat angles P-C4'-P energy: -11.216
tors. eta vs tors. theta energy: -21.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 65
Temperature: 1.200000
Total energy: -187.178224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.178224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.178224 (E_RNA)
where:
Base-Base interactions energy: -121.526
where: short stacking energy: -53.424
Base-Backbone interact. energy: -0.142
local terms energy: -65.510907
where:
bonds (distance) C4'-P energy: -16.471
bonds (distance) P-C4' energy: -17.093
flat angles C4'-P-C4' energy: -14.817
flat angles P-C4'-P energy: -6.496
tors. eta vs tors. theta energy: -10.633
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: 4
=====================================
Write number: 65
Temperature: 1.250000
Total energy: -121.567402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.567402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.567402 (E_RNA)
where:
Base-Base interactions energy: -60.905
where: short stacking energy: -28.921
Base-Backbone interact. energy: -0.220
local terms energy: -60.442910
where:
bonds (distance) C4'-P energy: -14.297
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -15.666
flat angles P-C4'-P energy: -11.275
tors. eta vs tors. theta energy: -2.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 65
Temperature: 1.300000
Total energy: -85.324204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.324204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.324204 (E_RNA)
where:
Base-Base interactions energy: -36.355
where: short stacking energy: -19.464
Base-Backbone interact. energy: -1.415
local terms energy: -47.554220
where:
bonds (distance) C4'-P energy: -11.570
bonds (distance) P-C4' energy: -17.646
flat angles C4'-P-C4' energy: -13.415
flat angles P-C4'-P energy: -11.506
tors. eta vs tors. theta energy: 6.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 65
Temperature: 1.350000
Total energy: -80.212813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.212813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.212813 (E_RNA)
where:
Base-Base interactions energy: -23.743
where: short stacking energy: -21.720
Base-Backbone interact. energy: -0.810
local terms energy: -55.660210
where:
bonds (distance) C4'-P energy: -9.217
bonds (distance) P-C4' energy: -11.116
flat angles C4'-P-C4' energy: -16.279
flat angles P-C4'-P energy: -15.713
tors. eta vs tors. theta energy: -3.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 66
Temperature: 0.900000
Total energy: -299.914880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.914880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.914880 (E_RNA)
where:
Base-Base interactions energy: -206.316
where: short stacking energy: -81.262
Base-Backbone interact. energy: -0.230
local terms energy: -93.368596
where:
bonds (distance) C4'-P energy: -14.866
bonds (distance) P-C4' energy: -18.525
flat angles C4'-P-C4' energy: -20.536
flat angles P-C4'-P energy: -16.859
tors. eta vs tors. theta energy: -22.583
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: 2
=====================================
Write number: 66
Temperature: 0.950000
Total energy: -289.867085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.867085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.867085 (E_RNA)
where:
Base-Base interactions energy: -199.693
where: short stacking energy: -83.829
Base-Backbone interact. energy: -0.608
local terms energy: -89.565446
where:
bonds (distance) C4'-P energy: -17.497
bonds (distance) P-C4' energy: -9.723
flat angles C4'-P-C4' energy: -18.603
flat angles P-C4'-P energy: -15.965
tors. eta vs tors. theta energy: -27.777
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: 6
=====================================
Write number: 66
Temperature: 1.000000
Total energy: -283.477738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.477738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.477738 (E_RNA)
where:
Base-Base interactions energy: -191.305
where: short stacking energy: -77.675
Base-Backbone interact. energy: -0.280
local terms energy: -91.892744
where:
bonds (distance) C4'-P energy: -18.093
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -20.815
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -25.615
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: 7
=====================================
Write number: 66
Temperature: 1.050000
Total energy: -275.739304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.739304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.739304 (E_RNA)
where:
Base-Base interactions energy: -190.761
where: short stacking energy: -80.212
Base-Backbone interact. energy: -0.977
local terms energy: -84.001546
where:
bonds (distance) C4'-P energy: -16.795
bonds (distance) P-C4' energy: -16.993
flat angles C4'-P-C4' energy: -16.511
flat angles P-C4'-P energy: -10.937
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: 5, replica: 5
=====================================
Write number: 66
Temperature: 1.100000
Total energy: -268.889932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.889932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.889932 (E_RNA)
where:
Base-Base interactions energy: -177.514
where: short stacking energy: -75.038
Base-Backbone interact. energy: 2.583
local terms energy: -93.959621
where:
bonds (distance) C4'-P energy: -17.447
bonds (distance) P-C4' energy: -19.428
flat angles C4'-P-C4' energy: -19.449
flat angles P-C4'-P energy: -14.370
tors. eta vs tors. theta energy: -23.267
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: 3
=====================================
Write number: 66
Temperature: 1.150000
Total energy: -255.935434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.935434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.935434 (E_RNA)
where:
Base-Base interactions energy: -175.598
where: short stacking energy: -69.395
Base-Backbone interact. energy: -0.183
local terms energy: -80.154868
where:
bonds (distance) C4'-P energy: -16.297
bonds (distance) P-C4' energy: -11.609
flat angles C4'-P-C4' energy: -19.671
flat angles P-C4'-P energy: -12.783
tors. eta vs tors. theta energy: -19.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 66
Temperature: 1.200000
Total energy: -193.105011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.105011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.105011 (E_RNA)
where:
Base-Base interactions energy: -122.174
where: short stacking energy: -59.751
Base-Backbone interact. energy: -0.336
local terms energy: -70.595014
where:
bonds (distance) C4'-P energy: -14.139
bonds (distance) P-C4' energy: -17.466
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -7.985
tors. eta vs tors. theta energy: -14.888
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: 4
=====================================
Write number: 66
Temperature: 1.250000
Total energy: -103.826868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.826868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.826868 (E_RNA)
where:
Base-Base interactions energy: -50.066
where: short stacking energy: -38.590
Base-Backbone interact. energy: -0.178
local terms energy: -53.582994
where:
bonds (distance) C4'-P energy: -15.809
bonds (distance) P-C4' energy: -10.423
flat angles C4'-P-C4' energy: -15.438
flat angles P-C4'-P energy: -5.921
tors. eta vs tors. theta energy: -5.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 66
Temperature: 1.300000
Total energy: -102.975661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.975661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.975661 (E_RNA)
where:
Base-Base interactions energy: -43.168
where: short stacking energy: -15.926
Base-Backbone interact. energy: -0.887
local terms energy: -58.921304
where:
bonds (distance) C4'-P energy: -15.375
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -14.733
flat angles P-C4'-P energy: -11.670
tors. eta vs tors. theta energy: 0.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 66
Temperature: 1.350000
Total energy: -81.221289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.221289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.221289 (E_RNA)
where:
Base-Base interactions energy: -24.254
where: short stacking energy: -19.035
Base-Backbone interact. energy: 0.651
local terms energy: -57.617620
where:
bonds (distance) C4'-P energy: -16.665
bonds (distance) P-C4' energy: -19.644
flat angles C4'-P-C4' energy: -20.170
flat angles P-C4'-P energy: -2.991
tors. eta vs tors. theta energy: 1.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 67
Temperature: 0.900000
Total energy: -285.543438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.543438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.543438 (E_RNA)
where:
Base-Base interactions energy: -188.793
where: short stacking energy: -74.861
Base-Backbone interact. energy: -0.145
local terms energy: -96.605987
where:
bonds (distance) C4'-P energy: -20.511
bonds (distance) P-C4' energy: -20.337
flat angles C4'-P-C4' energy: -19.846
flat angles P-C4'-P energy: -12.421
tors. eta vs tors. theta energy: -23.491
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: 2, replica: 6
=====================================
Write number: 67
Temperature: 0.950000
Total energy: -284.033960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.033960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.033960 (E_RNA)
where:
Base-Base interactions energy: -196.038
where: short stacking energy: -81.752
Base-Backbone interact. energy: -0.217
local terms energy: -87.779150
where:
bonds (distance) C4'-P energy: -15.558
bonds (distance) P-C4' energy: -18.928
flat angles C4'-P-C4' energy: -17.762
flat angles P-C4'-P energy: -11.647
tors. eta vs tors. theta energy: -23.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 67
Temperature: 1.000000
Total energy: -281.568596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.568596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.568596 (E_RNA)
where:
Base-Base interactions energy: -191.823
where: short stacking energy: -76.514
Base-Backbone interact. energy: -0.007
local terms energy: -89.738152
where:
bonds (distance) C4'-P energy: -17.537
bonds (distance) P-C4' energy: -15.170
flat angles C4'-P-C4' energy: -18.900
flat angles P-C4'-P energy: -12.972
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: 4, replica: 5
=====================================
Write number: 67
Temperature: 1.050000
Total energy: -279.049547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.049547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.049547 (E_RNA)
where:
Base-Base interactions energy: -192.851
where: short stacking energy: -79.790
Base-Backbone interact. energy: -1.585
local terms energy: -84.613122
where:
bonds (distance) C4'-P energy: -13.655
bonds (distance) P-C4' energy: -16.205
flat angles C4'-P-C4' energy: -17.404
flat angles P-C4'-P energy: -13.796
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: 5, replica: 7
=====================================
Write number: 67
Temperature: 1.100000
Total energy: -265.607005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.607005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.607005 (E_RNA)
where:
Base-Base interactions energy: -180.863
where: short stacking energy: -77.365
Base-Backbone interact. energy: -0.281
local terms energy: -84.463066
where:
bonds (distance) C4'-P energy: -17.429
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -15.606
flat angles P-C4'-P energy: -16.066
tors. eta vs tors. theta energy: -21.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 67
Temperature: 1.150000
Total energy: -253.978650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.978650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.978650 (E_RNA)
where:
Base-Base interactions energy: -173.994
where: short stacking energy: -65.509
Base-Backbone interact. energy: -0.122
local terms energy: -79.862699
where:
bonds (distance) C4'-P energy: -15.145
bonds (distance) P-C4' energy: -20.415
flat angles C4'-P-C4' energy: -15.074
flat angles P-C4'-P energy: -11.388
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: 7, replica: 1
=====================================
Write number: 67
Temperature: 1.200000
Total energy: -204.135102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.135102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.135102 (E_RNA)
where:
Base-Base interactions energy: -122.583
where: short stacking energy: -55.199
Base-Backbone interact. energy: -0.454
local terms energy: -81.098226
where:
bonds (distance) C4'-P energy: -14.769
bonds (distance) P-C4' energy: -20.323
flat angles C4'-P-C4' energy: -16.886
flat angles P-C4'-P energy: -13.210
tors. eta vs tors. theta energy: -15.910
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: 8, replica: 8
=====================================
Write number: 67
Temperature: 1.250000
Total energy: -94.345576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.345576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.345576 (E_RNA)
where:
Base-Base interactions energy: -40.987
where: short stacking energy: -28.724
Base-Backbone interact. energy: -0.158
local terms energy: -53.200433
where:
bonds (distance) C4'-P energy: -10.294
bonds (distance) P-C4' energy: -14.767
flat angles C4'-P-C4' energy: -14.588
flat angles P-C4'-P energy: -10.966
tors. eta vs tors. theta energy: -2.586
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 67
Temperature: 1.300000
Total energy: -95.180882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.180882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.180882 (E_RNA)
where:
Base-Base interactions energy: -35.762
where: short stacking energy: -28.386
Base-Backbone interact. energy: -0.200
local terms energy: -59.219774
where:
bonds (distance) C4'-P energy: -14.456
bonds (distance) P-C4' energy: -14.782
flat angles C4'-P-C4' energy: -18.460
flat angles P-C4'-P energy: -11.363
tors. eta vs tors. theta energy: -0.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 67
Temperature: 1.350000
Total energy: -85.755828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.755828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.755828 (E_RNA)
where:
Base-Base interactions energy: -39.386
where: short stacking energy: -33.468
Base-Backbone interact. energy: -0.157
local terms energy: -46.212820
where:
bonds (distance) C4'-P energy: -12.110
bonds (distance) P-C4' energy: -10.368
flat angles C4'-P-C4' energy: -16.951
flat angles P-C4'-P energy: -6.716
tors. eta vs tors. theta energy: -0.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 68
Temperature: 0.900000
Total energy: -286.366084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.366084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.366084 (E_RNA)
where:
Base-Base interactions energy: -198.800
where: short stacking energy: -76.498
Base-Backbone interact. energy: -0.669
local terms energy: -86.897432
where:
bonds (distance) C4'-P energy: -19.326
bonds (distance) P-C4' energy: -17.901
flat angles C4'-P-C4' energy: -15.094
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -24.706
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: 2, replica: 6
=====================================
Write number: 68
Temperature: 0.950000
Total energy: -286.920253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.920253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.920253 (E_RNA)
where:
Base-Base interactions energy: -191.535
where: short stacking energy: -80.442
Base-Backbone interact. energy: -1.854
local terms energy: -93.531360
where:
bonds (distance) C4'-P energy: -16.204
bonds (distance) P-C4' energy: -18.910
flat angles C4'-P-C4' energy: -16.907
flat angles P-C4'-P energy: -15.269
tors. eta vs tors. theta energy: -26.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 68
Temperature: 1.000000
Total energy: -279.166419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.166419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.166419 (E_RNA)
where:
Base-Base interactions energy: -188.409
where: short stacking energy: -72.034
Base-Backbone interact. energy: -0.060
local terms energy: -90.697520
where:
bonds (distance) C4'-P energy: -19.922
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -17.443
flat angles P-C4'-P energy: -12.681
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: 2
=====================================
Write number: 68
Temperature: 1.050000
Total energy: -283.765318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.765318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.765318 (E_RNA)
where:
Base-Base interactions energy: -198.403
where: short stacking energy: -73.804
Base-Backbone interact. energy: -1.966
local terms energy: -83.395809
where:
bonds (distance) C4'-P energy: -13.970
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -16.420
flat angles P-C4'-P energy: -12.894
tors. eta vs tors. theta energy: -23.354
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: 5, replica: 3
=====================================
Write number: 68
Temperature: 1.100000
Total energy: -265.920148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.920148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.920148 (E_RNA)
where:
Base-Base interactions energy: -186.206
where: short stacking energy: -80.541
Base-Backbone interact. energy: -0.591
local terms energy: -79.123414
where:
bonds (distance) C4'-P energy: -14.332
bonds (distance) P-C4' energy: -13.980
flat angles C4'-P-C4' energy: -15.445
flat angles P-C4'-P energy: -12.007
tors. eta vs tors. theta energy: -23.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 68
Temperature: 1.150000
Total energy: -267.085539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.085539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.085539 (E_RNA)
where:
Base-Base interactions energy: -181.802
where: short stacking energy: -75.806
Base-Backbone interact. energy: -0.240
local terms energy: -85.043891
where:
bonds (distance) C4'-P energy: -17.361
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -19.646
flat angles P-C4'-P energy: -9.151
tors. eta vs tors. theta energy: -22.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 68
Temperature: 1.200000
Total energy: -205.031292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.031292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.031292 (E_RNA)
where:
Base-Base interactions energy: -124.278
where: short stacking energy: -53.938
Base-Backbone interact. energy: 0.161
local terms energy: -80.914295
where:
bonds (distance) C4'-P energy: -15.881
bonds (distance) P-C4' energy: -16.218
flat angles C4'-P-C4' energy: -14.839
flat angles P-C4'-P energy: -11.734
tors. eta vs tors. theta energy: -22.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 68
Temperature: 1.250000
Total energy: -156.601551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.601551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.601551 (E_RNA)
where:
Base-Base interactions energy: -89.052
where: short stacking energy: -48.312
Base-Backbone interact. energy: 0.756
local terms energy: -68.305902
where:
bonds (distance) C4'-P energy: -12.790
bonds (distance) P-C4' energy: -16.692
flat angles C4'-P-C4' energy: -18.887
flat angles P-C4'-P energy: -9.673
tors. eta vs tors. theta energy: -10.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 68
Temperature: 1.300000
Total energy: -105.377868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.377868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.377868 (E_RNA)
where:
Base-Base interactions energy: -39.424
where: short stacking energy: -22.563
Base-Backbone interact. energy: -0.295
local terms energy: -65.658660
where:
bonds (distance) C4'-P energy: -18.494
bonds (distance) P-C4' energy: -15.868
flat angles C4'-P-C4' energy: -17.275
flat angles P-C4'-P energy: -10.832
tors. eta vs tors. theta energy: -3.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 68
Temperature: 1.350000
Total energy: -103.118875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.118875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.118875 (E_RNA)
where:
Base-Base interactions energy: -51.190
where: short stacking energy: -19.761
Base-Backbone interact. energy: -0.126
local terms energy: -51.802763
where:
bonds (distance) C4'-P energy: -15.432
bonds (distance) P-C4' energy: -18.830
flat angles C4'-P-C4' energy: -11.743
flat angles P-C4'-P energy: -5.131
tors. eta vs tors. theta energy: -0.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 69
Temperature: 0.900000
Total energy: -285.558107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.558107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.558107 (E_RNA)
where:
Base-Base interactions energy: -192.093
where: short stacking energy: -76.533
Base-Backbone interact. energy: -0.064
local terms energy: -93.401333
where:
bonds (distance) C4'-P energy: -18.795
bonds (distance) P-C4' energy: -17.403
flat angles C4'-P-C4' energy: -19.878
flat angles P-C4'-P energy: -12.539
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: 2, replica: 6
=====================================
Write number: 69
Temperature: 0.950000
Total energy: -278.756002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.756002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.756002 (E_RNA)
where:
Base-Base interactions energy: -186.475
where: short stacking energy: -71.561
Base-Backbone interact. energy: -0.045
local terms energy: -92.235970
where:
bonds (distance) C4'-P energy: -11.356
bonds (distance) P-C4' energy: -19.091
flat angles C4'-P-C4' energy: -21.223
flat angles P-C4'-P energy: -16.769
tors. eta vs tors. theta energy: -23.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 69
Temperature: 1.000000
Total energy: -279.614366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.614366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.614366 (E_RNA)
where:
Base-Base interactions energy: -191.052
where: short stacking energy: -75.328
Base-Backbone interact. energy: -0.023
local terms energy: -88.539673
where:
bonds (distance) C4'-P energy: -17.543
bonds (distance) P-C4' energy: -18.138
flat angles C4'-P-C4' energy: -20.476
flat angles P-C4'-P energy: -12.187
tors. eta vs tors. theta energy: -20.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 69
Temperature: 1.050000
Total energy: -263.482200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.482200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.482200 (E_RNA)
where:
Base-Base interactions energy: -179.602
where: short stacking energy: -68.055
Base-Backbone interact. energy: -0.016
local terms energy: -83.864857
where:
bonds (distance) C4'-P energy: -17.667
bonds (distance) P-C4' energy: -16.927
flat angles C4'-P-C4' energy: -16.407
flat angles P-C4'-P energy: -11.453
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: 5, replica: 2
=====================================
Write number: 69
Temperature: 1.100000
Total energy: -267.022531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.022531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.022531 (E_RNA)
where:
Base-Base interactions energy: -182.713
where: short stacking energy: -75.300
Base-Backbone interact. energy: -0.804
local terms energy: -83.505210
where:
bonds (distance) C4'-P energy: -15.676
bonds (distance) P-C4' energy: -16.153
flat angles C4'-P-C4' energy: -20.274
flat angles P-C4'-P energy: -9.976
tors. eta vs tors. theta energy: -21.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 69
Temperature: 1.150000
Total energy: -262.050752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.050752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.050752 (E_RNA)
where:
Base-Base interactions energy: -180.974
where: short stacking energy: -75.207
Base-Backbone interact. energy: -0.608
local terms energy: -80.469042
where:
bonds (distance) C4'-P energy: -12.636
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -19.634
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -24.498
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: 1
=====================================
Write number: 69
Temperature: 1.200000
Total energy: -209.273264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.273264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.273264 (E_RNA)
where:
Base-Base interactions energy: -131.043
where: short stacking energy: -70.489
Base-Backbone interact. energy: -0.188
local terms energy: -78.042629
where:
bonds (distance) C4'-P energy: -15.795
bonds (distance) P-C4' energy: -18.263
flat angles C4'-P-C4' energy: -16.578
flat angles P-C4'-P energy: -7.560
tors. eta vs tors. theta energy: -19.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 69
Temperature: 1.250000
Total energy: -90.857553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.857553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.857553 (E_RNA)
where:
Base-Base interactions energy: -31.166
where: short stacking energy: -26.824
Base-Backbone interact. energy: -0.137
local terms energy: -59.554155
where:
bonds (distance) C4'-P energy: -15.199
bonds (distance) P-C4' energy: -21.547
flat angles C4'-P-C4' energy: -15.877
flat angles P-C4'-P energy: -6.647
tors. eta vs tors. theta energy: -0.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 69
Temperature: 1.300000
Total energy: -142.259018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.259018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.259018 (E_RNA)
where:
Base-Base interactions energy: -80.203
where: short stacking energy: -49.369
Base-Backbone interact. energy: -0.004
local terms energy: -62.052445
where:
bonds (distance) C4'-P energy: -11.339
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -16.910
flat angles P-C4'-P energy: -5.080
tors. eta vs tors. theta energy: -12.846
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: 69
Temperature: 1.350000
Total energy: -90.028680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.028680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.028680 (E_RNA)
where:
Base-Base interactions energy: -36.293
where: short stacking energy: -19.690
Base-Backbone interact. energy: 1.148
local terms energy: -54.883393
where:
bonds (distance) C4'-P energy: -15.581
bonds (distance) P-C4' energy: -20.007
flat angles C4'-P-C4' energy: -9.533
flat angles P-C4'-P energy: -6.582
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: 6
=====================================
Write number: 70
Temperature: 0.900000
Total energy: -277.360344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.360344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.360344 (E_RNA)
where:
Base-Base interactions energy: -192.491
where: short stacking energy: -81.581
Base-Backbone interact. energy: -0.076
local terms energy: -84.793063
where:
bonds (distance) C4'-P energy: -18.834
bonds (distance) P-C4' energy: -16.235
flat angles C4'-P-C4' energy: -17.575
flat angles P-C4'-P energy: -11.241
tors. eta vs tors. theta energy: -20.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 70
Temperature: 0.950000
Total energy: -274.502238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.502238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.502238 (E_RNA)
where:
Base-Base interactions energy: -194.474
where: short stacking energy: -71.094
Base-Backbone interact. energy: -0.408
local terms energy: -79.620726
where:
bonds (distance) C4'-P energy: -18.838
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -19.547
flat angles P-C4'-P energy: -8.833
tors. eta vs tors. theta energy: -18.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 70
Temperature: 1.000000
Total energy: -276.483012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.483012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.483012 (E_RNA)
where:
Base-Base interactions energy: -192.059
where: short stacking energy: -75.958
Base-Backbone interact. energy: -0.108
local terms energy: -84.316536
where:
bonds (distance) C4'-P energy: -16.295
bonds (distance) P-C4' energy: -15.206
flat angles C4'-P-C4' energy: -15.418
flat angles P-C4'-P energy: -15.443
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: 4, replica: 3
=====================================
Write number: 70
Temperature: 1.050000
Total energy: -269.075114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.075114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.075114 (E_RNA)
where:
Base-Base interactions energy: -192.486
where: short stacking energy: -77.365
Base-Backbone interact. energy: -1.799
local terms energy: -74.790186
where:
bonds (distance) C4'-P energy: -16.681
bonds (distance) P-C4' energy: -11.327
flat angles C4'-P-C4' energy: -16.675
flat angles P-C4'-P energy: -6.088
tors. eta vs tors. theta energy: -24.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 70
Temperature: 1.100000
Total energy: -262.644366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.644366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.644366 (E_RNA)
where:
Base-Base interactions energy: -178.428
where: short stacking energy: -64.634
Base-Backbone interact. energy: -0.013
local terms energy: -84.203476
where:
bonds (distance) C4'-P energy: -16.205
bonds (distance) P-C4' energy: -14.934
flat angles C4'-P-C4' energy: -19.264
flat angles P-C4'-P energy: -11.010
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: 2
=====================================
Write number: 70
Temperature: 1.150000
Total energy: -266.675094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.675094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.675094 (E_RNA)
where:
Base-Base interactions energy: -179.459
where: short stacking energy: -67.435
Base-Backbone interact. energy: -1.733
local terms energy: -85.483362
where:
bonds (distance) C4'-P energy: -17.005
bonds (distance) P-C4' energy: -18.235
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -14.917
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: 7, replica: 1
=====================================
Write number: 70
Temperature: 1.200000
Total energy: -195.195400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.195400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.195400 (E_RNA)
where:
Base-Base interactions energy: -117.177
where: short stacking energy: -52.662
Base-Backbone interact. energy: -0.164
local terms energy: -77.854830
where:
bonds (distance) C4'-P energy: -17.691
bonds (distance) P-C4' energy: -17.988
flat angles C4'-P-C4' energy: -18.410
flat angles P-C4'-P energy: -9.050
tors. eta vs tors. theta energy: -14.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 70
Temperature: 1.250000
Total energy: -84.189771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.189771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.189771 (E_RNA)
where:
Base-Base interactions energy: -30.385
where: short stacking energy: -24.338
Base-Backbone interact. energy: -1.112
local terms energy: -52.692625
where:
bonds (distance) C4'-P energy: -8.304
bonds (distance) P-C4' energy: -18.753
flat angles C4'-P-C4' energy: -12.418
flat angles P-C4'-P energy: -11.250
tors. eta vs tors. theta energy: -1.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 70
Temperature: 1.300000
Total energy: -91.759921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.759921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.759921 (E_RNA)
where:
Base-Base interactions energy: -47.684
where: short stacking energy: -36.571
Base-Backbone interact. energy: -0.132
local terms energy: -43.943301
where:
bonds (distance) C4'-P energy: -9.558
bonds (distance) P-C4' energy: -15.449
flat angles C4'-P-C4' energy: -6.986
flat angles P-C4'-P energy: -3.178
tors. eta vs tors. theta energy: -8.774
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: 10, replica: 4
=====================================
Write number: 70
Temperature: 1.350000
Total energy: -86.112613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.112613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.112613 (E_RNA)
where:
Base-Base interactions energy: -25.715
where: short stacking energy: -25.030
Base-Backbone interact. energy: 0.152
local terms energy: -60.550014
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -21.409
flat angles C4'-P-C4' energy: -14.054
flat angles P-C4'-P energy: -5.407
tors. eta vs tors. theta energy: -3.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 71
Temperature: 0.900000
Total energy: -278.797682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.797682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.797682 (E_RNA)
where:
Base-Base interactions energy: -187.722
where: short stacking energy: -90.668
Base-Backbone interact. energy: -0.020
local terms energy: -91.055892
where:
bonds (distance) C4'-P energy: -18.080
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -18.764
flat angles P-C4'-P energy: -11.684
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: 2, replica: 10
=====================================
Write number: 71
Temperature: 0.950000
Total energy: -288.990717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.990717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.990717 (E_RNA)
where:
Base-Base interactions energy: -202.037
where: short stacking energy: -80.794
Base-Backbone interact. energy: -0.051
local terms energy: -86.902888
where:
bonds (distance) C4'-P energy: -15.331
bonds (distance) P-C4' energy: -17.039
flat angles C4'-P-C4' energy: -18.732
flat angles P-C4'-P energy: -15.294
tors. eta vs tors. theta energy: -20.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 71
Temperature: 1.000000
Total energy: -273.566322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.566322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.566322 (E_RNA)
where:
Base-Base interactions energy: -186.746
where: short stacking energy: -74.265
Base-Backbone interact. energy: -0.560
local terms energy: -86.260794
where:
bonds (distance) C4'-P energy: -19.062
bonds (distance) P-C4' energy: -15.396
flat angles C4'-P-C4' energy: -19.230
flat angles P-C4'-P energy: -12.567
tors. eta vs tors. theta energy: -20.006
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: 7
=====================================
Write number: 71
Temperature: 1.050000
Total energy: -274.983155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.983155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.983155 (E_RNA)
where:
Base-Base interactions energy: -186.157
where: short stacking energy: -70.905
Base-Backbone interact. energy: 1.684
local terms energy: -90.509738
where:
bonds (distance) C4'-P energy: -12.363
bonds (distance) P-C4' energy: -17.411
flat angles C4'-P-C4' energy: -21.124
flat angles P-C4'-P energy: -14.938
tors. eta vs tors. theta energy: -24.673
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 71
Temperature: 1.100000
Total energy: -274.830327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.830327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.830327 (E_RNA)
where:
Base-Base interactions energy: -186.511
where: short stacking energy: -74.196
Base-Backbone interact. energy: -0.185
local terms energy: -88.134508
where:
bonds (distance) C4'-P energy: -20.162
bonds (distance) P-C4' energy: -17.180
flat angles C4'-P-C4' energy: -17.049
flat angles P-C4'-P energy: -13.122
tors. eta vs tors. theta energy: -20.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 71
Temperature: 1.150000
Total energy: -263.165070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.165070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.165070 (E_RNA)
where:
Base-Base interactions energy: -178.449
where: short stacking energy: -64.072
Base-Backbone interact. energy: -2.341
local terms energy: -82.374997
where:
bonds (distance) C4'-P energy: -13.087
bonds (distance) P-C4' energy: -17.958
flat angles C4'-P-C4' energy: -16.953
flat angles P-C4'-P energy: -12.119
tors. eta vs tors. theta energy: -22.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 71
Temperature: 1.200000
Total energy: -200.508224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.508224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.508224 (E_RNA)
where:
Base-Base interactions energy: -132.650
where: short stacking energy: -59.958
Base-Backbone interact. energy: -0.016
local terms energy: -67.842525
where:
bonds (distance) C4'-P energy: -12.293
bonds (distance) P-C4' energy: -12.162
flat angles C4'-P-C4' energy: -17.600
flat angles P-C4'-P energy: -6.901
tors. eta vs tors. theta energy: -18.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 71
Temperature: 1.250000
Total energy: -93.228881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.228881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.228881 (E_RNA)
where:
Base-Base interactions energy: -32.652
where: short stacking energy: -32.469
Base-Backbone interact. energy: 0.453
local terms energy: -61.029705
where:
bonds (distance) C4'-P energy: -16.506
bonds (distance) P-C4' energy: -15.281
flat angles C4'-P-C4' energy: -15.217
flat angles P-C4'-P energy: -11.568
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: 9, replica: 8
=====================================
Write number: 71
Temperature: 1.300000
Total energy: -93.985413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.985413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.985413 (E_RNA)
where:
Base-Base interactions energy: -31.679
where: short stacking energy: -31.140
Base-Backbone interact. energy: -0.040
local terms energy: -62.266846
where:
bonds (distance) C4'-P energy: -12.238
bonds (distance) P-C4' energy: -18.752
flat angles C4'-P-C4' energy: -17.552
flat angles P-C4'-P energy: -6.964
tors. eta vs tors. theta energy: -6.761
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: 4
=====================================
Write number: 71
Temperature: 1.350000
Total energy: -92.059283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.059283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.059283 (E_RNA)
where:
Base-Base interactions energy: -31.655
where: short stacking energy: -31.433
Base-Backbone interact. energy: -0.203
local terms energy: -60.200779
where:
bonds (distance) C4'-P energy: -15.153
bonds (distance) P-C4' energy: -17.529
flat angles C4'-P-C4' energy: -18.255
flat angles P-C4'-P energy: -8.013
tors. eta vs tors. theta energy: -1.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 72
Temperature: 0.900000
Total energy: -292.475230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.475230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.475230 (E_RNA)
where:
Base-Base interactions energy: -191.296
where: short stacking energy: -83.079
Base-Backbone interact. energy: -0.396
local terms energy: -100.783435
where:
bonds (distance) C4'-P energy: -19.890
bonds (distance) P-C4' energy: -20.125
flat angles C4'-P-C4' energy: -20.830
flat angles P-C4'-P energy: -12.757
tors. eta vs tors. theta energy: -27.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 72
Temperature: 0.950000
Total energy: -284.201285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.201285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.201285 (E_RNA)
where:
Base-Base interactions energy: -197.114
where: short stacking energy: -79.597
Base-Backbone interact. energy: -0.085
local terms energy: -87.002884
where:
bonds (distance) C4'-P energy: -17.517
bonds (distance) P-C4' energy: -16.695
flat angles C4'-P-C4' energy: -16.432
flat angles P-C4'-P energy: -11.738
tors. eta vs tors. theta energy: -24.621
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 72
Temperature: 1.000000
Total energy: -265.491604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.491604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.491604 (E_RNA)
where:
Base-Base interactions energy: -176.536
where: short stacking energy: -60.444
Base-Backbone interact. energy: -0.648
local terms energy: -88.307688
where:
bonds (distance) C4'-P energy: -15.645
bonds (distance) P-C4' energy: -19.753
flat angles C4'-P-C4' energy: -18.733
flat angles P-C4'-P energy: -12.354
tors. eta vs tors. theta energy: -21.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 72
Temperature: 1.050000
Total energy: -272.703649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.703649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.703649 (E_RNA)
where:
Base-Base interactions energy: -187.309
where: short stacking energy: -68.248
Base-Backbone interact. energy: -0.340
local terms energy: -85.054908
where:
bonds (distance) C4'-P energy: -16.015
bonds (distance) P-C4' energy: -18.424
flat angles C4'-P-C4' energy: -20.732
flat angles P-C4'-P energy: -7.515
tors. eta vs tors. theta energy: -22.370
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: 2
=====================================
Write number: 72
Temperature: 1.100000
Total energy: -270.885989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.885989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.885989 (E_RNA)
where:
Base-Base interactions energy: -183.977
where: short stacking energy: -70.953
Base-Backbone interact. energy: -0.381
local terms energy: -86.527656
where:
bonds (distance) C4'-P energy: -18.565
bonds (distance) P-C4' energy: -15.067
flat angles C4'-P-C4' energy: -21.303
flat angles P-C4'-P energy: -8.681
tors. eta vs tors. theta energy: -22.912
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: 3
=====================================
Write number: 72
Temperature: 1.150000
Total energy: -260.953469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.953469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.953469 (E_RNA)
where:
Base-Base interactions energy: -184.659
where: short stacking energy: -75.935
Base-Backbone interact. energy: -0.067
local terms energy: -76.226964
where:
bonds (distance) C4'-P energy: -11.289
bonds (distance) P-C4' energy: -11.972
flat angles C4'-P-C4' energy: -17.314
flat angles P-C4'-P energy: -12.324
tors. eta vs tors. theta energy: -23.327
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: 7, replica: 1
=====================================
Write number: 72
Temperature: 1.200000
Total energy: -196.404004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.404004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.404004 (E_RNA)
where:
Base-Base interactions energy: -124.291
where: short stacking energy: -60.994
Base-Backbone interact. energy: -0.021
local terms energy: -72.091476
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -20.451
flat angles C4'-P-C4' energy: -14.860
flat angles P-C4'-P energy: -6.705
tors. eta vs tors. theta energy: -12.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 72
Temperature: 1.250000
Total energy: -100.844736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.844736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.844736 (E_RNA)
where:
Base-Base interactions energy: -35.325
where: short stacking energy: -35.325
Base-Backbone interact. energy: -0.006
local terms energy: -65.514186
where:
bonds (distance) C4'-P energy: -15.727
bonds (distance) P-C4' energy: -15.478
flat angles C4'-P-C4' energy: -15.898
flat angles P-C4'-P energy: -8.264
tors. eta vs tors. theta energy: -10.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 72
Temperature: 1.300000
Total energy: -96.072243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.072243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.072243 (E_RNA)
where:
Base-Base interactions energy: -40.620
where: short stacking energy: -39.631
Base-Backbone interact. energy: 0.648
local terms energy: -56.100339
where:
bonds (distance) C4'-P energy: -15.580
bonds (distance) P-C4' energy: -12.947
flat angles C4'-P-C4' energy: -14.541
flat angles P-C4'-P energy: -9.790
tors. eta vs tors. theta energy: -3.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 72
Temperature: 1.350000
Total energy: -81.902200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.902200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.902200 (E_RNA)
where:
Base-Base interactions energy: -30.199
where: short stacking energy: -22.100
Base-Backbone interact. energy: -0.772
local terms energy: -50.931044
where:
bonds (distance) C4'-P energy: -16.125
bonds (distance) P-C4' energy: -16.126
flat angles C4'-P-C4' energy: -15.266
flat angles P-C4'-P energy: -7.772
tors. eta vs tors. theta energy: 4.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 73
Temperature: 0.900000
Total energy: -291.868906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.868906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.868906 (E_RNA)
where:
Base-Base interactions energy: -203.973
where: short stacking energy: -82.399
Base-Backbone interact. energy: -0.043
local terms energy: -87.853459
where:
bonds (distance) C4'-P energy: -11.291
bonds (distance) P-C4' energy: -19.149
flat angles C4'-P-C4' energy: -21.266
flat angles P-C4'-P energy: -11.044
tors. eta vs tors. theta energy: -25.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 73
Temperature: 0.950000
Total energy: -272.708746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.708746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.708746 (E_RNA)
where:
Base-Base interactions energy: -186.046
where: short stacking energy: -80.951
Base-Backbone interact. energy: -0.605
local terms energy: -86.057170
where:
bonds (distance) C4'-P energy: -13.786
bonds (distance) P-C4' energy: -21.311
flat angles C4'-P-C4' energy: -11.700
flat angles P-C4'-P energy: -15.005
tors. eta vs tors. theta energy: -24.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 73
Temperature: 1.000000
Total energy: -283.879315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.879315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.879315 (E_RNA)
where:
Base-Base interactions energy: -192.400
where: short stacking energy: -82.953
Base-Backbone interact. energy: 0.770
local terms energy: -92.249662
where:
bonds (distance) C4'-P energy: -16.818
bonds (distance) P-C4' energy: -20.386
flat angles C4'-P-C4' energy: -18.274
flat angles P-C4'-P energy: -12.628
tors. eta vs tors. theta energy: -24.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 73
Temperature: 1.050000
Total energy: -276.080375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.080375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.080375 (E_RNA)
where:
Base-Base interactions energy: -187.940
where: short stacking energy: -81.275
Base-Backbone interact. energy: -0.493
local terms energy: -87.647600
where:
bonds (distance) C4'-P energy: -18.337
bonds (distance) P-C4' energy: -16.311
flat angles C4'-P-C4' energy: -18.996
flat angles P-C4'-P energy: -13.096
tors. eta vs tors. theta energy: -20.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 73
Temperature: 1.100000
Total energy: -271.716539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.716539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.716539 (E_RNA)
where:
Base-Base interactions energy: -187.769
where: short stacking energy: -74.372
Base-Backbone interact. energy: -0.056
local terms energy: -83.891244
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -18.350
flat angles C4'-P-C4' energy: -19.361
flat angles P-C4'-P energy: -11.738
tors. eta vs tors. theta energy: -19.541
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 73
Temperature: 1.150000
Total energy: -260.352252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.352252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.352252 (E_RNA)
where:
Base-Base interactions energy: -176.782
where: short stacking energy: -68.473
Base-Backbone interact. energy: -0.313
local terms energy: -83.257570
where:
bonds (distance) C4'-P energy: -19.950
bonds (distance) P-C4' energy: -10.713
flat angles C4'-P-C4' energy: -16.585
flat angles P-C4'-P energy: -11.166
tors. eta vs tors. theta energy: -24.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 73
Temperature: 1.200000
Total energy: -191.238301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.238301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.238301 (E_RNA)
where:
Base-Base interactions energy: -114.333
where: short stacking energy: -56.337
Base-Backbone interact. energy: -0.343
local terms energy: -76.562145
where:
bonds (distance) C4'-P energy: -17.197
bonds (distance) P-C4' energy: -15.657
flat angles C4'-P-C4' energy: -15.221
flat angles P-C4'-P energy: -11.492
tors. eta vs tors. theta energy: -16.996
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: 8, replica: 4
=====================================
Write number: 73
Temperature: 1.250000
Total energy: -103.495378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.495378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.495378 (E_RNA)
where:
Base-Base interactions energy: -34.170
where: short stacking energy: -34.170
Base-Backbone interact. energy: -0.060
local terms energy: -69.265189
where:
bonds (distance) C4'-P energy: -17.037
bonds (distance) P-C4' energy: -20.296
flat angles C4'-P-C4' energy: -18.070
flat angles P-C4'-P energy: -9.626
tors. eta vs tors. theta energy: -4.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 73
Temperature: 1.300000
Total energy: -89.209148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.209148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.209148 (E_RNA)
where:
Base-Base interactions energy: -37.684
where: short stacking energy: -30.338
Base-Backbone interact. energy: 0.149
local terms energy: -51.674861
where:
bonds (distance) C4'-P energy: -12.400
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -14.709
flat angles P-C4'-P energy: -11.566
tors. eta vs tors. theta energy: 3.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 73
Temperature: 1.350000
Total energy: -86.590564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.590564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.590564 (E_RNA)
where:
Base-Base interactions energy: -19.151
where: short stacking energy: -18.478
Base-Backbone interact. energy: 0.946
local terms energy: -68.385018
where:
bonds (distance) C4'-P energy: -17.594
bonds (distance) P-C4' energy: -15.048
flat angles C4'-P-C4' energy: -17.693
flat angles P-C4'-P energy: -14.421
tors. eta vs tors. theta energy: -3.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 74
Temperature: 0.900000
Total energy: -288.352136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.352136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.352136 (E_RNA)
where:
Base-Base interactions energy: -191.761
where: short stacking energy: -76.826
Base-Backbone interact. energy: -0.492
local terms energy: -96.099835
where:
bonds (distance) C4'-P energy: -18.656
bonds (distance) P-C4' energy: -19.411
flat angles C4'-P-C4' energy: -20.277
flat angles P-C4'-P energy: -12.405
tors. eta vs tors. theta energy: -25.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 74
Temperature: 0.950000
Total energy: -281.172034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.172034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.172034 (E_RNA)
where:
Base-Base interactions energy: -194.297
where: short stacking energy: -83.704
Base-Backbone interact. energy: -0.080
local terms energy: -86.794602
where:
bonds (distance) C4'-P energy: -16.380
bonds (distance) P-C4' energy: -16.644
flat angles C4'-P-C4' energy: -17.329
flat angles P-C4'-P energy: -12.746
tors. eta vs tors. theta energy: -23.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 74
Temperature: 1.000000
Total energy: -278.684806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.684806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.684806 (E_RNA)
where:
Base-Base interactions energy: -180.442
where: short stacking energy: -76.393
Base-Backbone interact. energy: -0.320
local terms energy: -97.923149
where:
bonds (distance) C4'-P energy: -18.279
bonds (distance) P-C4' energy: -21.265
flat angles C4'-P-C4' energy: -20.876
flat angles P-C4'-P energy: -12.947
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: 4, replica: 6
=====================================
Write number: 74
Temperature: 1.050000
Total energy: -270.680782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.680782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.680782 (E_RNA)
where:
Base-Base interactions energy: -185.449
where: short stacking energy: -68.694
Base-Backbone interact. energy: -0.130
local terms energy: -85.102338
where:
bonds (distance) C4'-P energy: -20.233
bonds (distance) P-C4' energy: -17.017
flat angles C4'-P-C4' energy: -19.367
flat angles P-C4'-P energy: -11.568
tors. eta vs tors. theta energy: -16.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 74
Temperature: 1.100000
Total energy: -267.235847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.235847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.235847 (E_RNA)
where:
Base-Base interactions energy: -187.709
where: short stacking energy: -75.572
Base-Backbone interact. energy: -0.533
local terms energy: -78.994288
where:
bonds (distance) C4'-P energy: -17.712
bonds (distance) P-C4' energy: -18.337
flat angles C4'-P-C4' energy: -15.700
flat angles P-C4'-P energy: -6.875
tors. eta vs tors. theta energy: -20.370
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: 6, replica: 3
=====================================
Write number: 74
Temperature: 1.150000
Total energy: -267.266932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.266932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.266932 (E_RNA)
where:
Base-Base interactions energy: -171.560
where: short stacking energy: -71.669
Base-Backbone interact. energy: -0.375
local terms energy: -95.332203
where:
bonds (distance) C4'-P energy: -18.623
bonds (distance) P-C4' energy: -19.492
flat angles C4'-P-C4' energy: -19.404
flat angles P-C4'-P energy: -15.075
tors. eta vs tors. theta energy: -22.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 74
Temperature: 1.200000
Total energy: -194.409074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.409074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.409074 (E_RNA)
where:
Base-Base interactions energy: -127.518
where: short stacking energy: -48.004
Base-Backbone interact. energy: -0.238
local terms energy: -66.653396
where:
bonds (distance) C4'-P energy: -13.014
bonds (distance) P-C4' energy: -8.476
flat angles C4'-P-C4' energy: -16.940
flat angles P-C4'-P energy: -11.311
tors. eta vs tors. theta energy: -16.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 74
Temperature: 1.250000
Total energy: -96.363716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.363716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.363716 (E_RNA)
where:
Base-Base interactions energy: -40.580
where: short stacking energy: -26.073
Base-Backbone interact. energy: 0.290
local terms energy: -56.074179
where:
bonds (distance) C4'-P energy: -15.903
bonds (distance) P-C4' energy: -18.065
flat angles C4'-P-C4' energy: -16.204
flat angles P-C4'-P energy: -2.586
tors. eta vs tors. theta energy: -3.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 74
Temperature: 1.300000
Total energy: -90.739124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.739124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.739124 (E_RNA)
where:
Base-Base interactions energy: -35.461
where: short stacking energy: -25.532
Base-Backbone interact. energy: 2.364
local terms energy: -57.642886
where:
bonds (distance) C4'-P energy: -16.178
bonds (distance) P-C4' energy: -16.236
flat angles C4'-P-C4' energy: -17.908
flat angles P-C4'-P energy: -6.822
tors. eta vs tors. theta energy: -0.500
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: 9
=====================================
Write number: 74
Temperature: 1.350000
Total energy: -83.773305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.773305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.773305 (E_RNA)
where:
Base-Base interactions energy: -28.928
where: short stacking energy: -23.762
Base-Backbone interact. energy: 0.123
local terms energy: -54.968069
where:
bonds (distance) C4'-P energy: -15.620
bonds (distance) P-C4' energy: -18.853
flat angles C4'-P-C4' energy: -9.592
flat angles P-C4'-P energy: -9.232
tors. eta vs tors. theta energy: -1.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 75
Temperature: 0.900000
Total energy: -289.532165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.532165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.532165 (E_RNA)
where:
Base-Base interactions energy: -192.966
where: short stacking energy: -86.851
Base-Backbone interact. energy: 0.894
local terms energy: -97.459989
where:
bonds (distance) C4'-P energy: -18.435
bonds (distance) P-C4' energy: -16.434
flat angles C4'-P-C4' energy: -20.222
flat angles P-C4'-P energy: -14.878
tors. eta vs tors. theta energy: -27.491
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: 2, replica: 2
=====================================
Write number: 75
Temperature: 0.950000
Total energy: -286.401866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.401866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.401866 (E_RNA)
where:
Base-Base interactions energy: -204.709
where: short stacking energy: -82.260
Base-Backbone interact. energy: -0.047
local terms energy: -81.645748
where:
bonds (distance) C4'-P energy: -16.673
bonds (distance) P-C4' energy: -17.333
flat angles C4'-P-C4' energy: -13.650
flat angles P-C4'-P energy: -6.529
tors. eta vs tors. theta energy: -27.462
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: 3, replica: 10
=====================================
Write number: 75
Temperature: 1.000000
Total energy: -284.820865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.820865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.820865 (E_RNA)
where:
Base-Base interactions energy: -193.828
where: short stacking energy: -81.032
Base-Backbone interact. energy: -1.832
local terms energy: -89.160854
where:
bonds (distance) C4'-P energy: -13.071
bonds (distance) P-C4' energy: -18.267
flat angles C4'-P-C4' energy: -17.511
flat angles P-C4'-P energy: -15.327
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: 4, replica: 5
=====================================
Write number: 75
Temperature: 1.050000
Total energy: -271.046447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.046447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.046447 (E_RNA)
where:
Base-Base interactions energy: -181.162
where: short stacking energy: -73.446
Base-Backbone interact. energy: 0.638
local terms energy: -90.523100
where:
bonds (distance) C4'-P energy: -18.863
bonds (distance) P-C4' energy: -19.418
flat angles C4'-P-C4' energy: -16.229
flat angles P-C4'-P energy: -15.320
tors. eta vs tors. theta energy: -20.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 75
Temperature: 1.100000
Total energy: -263.962191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.962191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.962191 (E_RNA)
where:
Base-Base interactions energy: -176.926
where: short stacking energy: -64.769
Base-Backbone interact. energy: -0.093
local terms energy: -86.943207
where:
bonds (distance) C4'-P energy: -17.295
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -20.227
flat angles P-C4'-P energy: -12.623
tors. eta vs tors. theta energy: -20.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 75
Temperature: 1.150000
Total energy: -257.949237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.949237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.949237 (E_RNA)
where:
Base-Base interactions energy: -182.909
where: short stacking energy: -70.042
Base-Backbone interact. energy: -0.267
local terms energy: -74.773655
where:
bonds (distance) C4'-P energy: -14.731
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -11.934
flat angles P-C4'-P energy: -10.124
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: 7, replica: 1
=====================================
Write number: 75
Temperature: 1.200000
Total energy: -192.460133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.460133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.460133 (E_RNA)
where:
Base-Base interactions energy: -117.445
where: short stacking energy: -57.809
Base-Backbone interact. energy: -0.106
local terms energy: -74.909063
where:
bonds (distance) C4'-P energy: -12.731
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -14.794
flat angles P-C4'-P energy: -12.078
tors. eta vs tors. theta energy: -17.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 75
Temperature: 1.250000
Total energy: -107.399315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.399315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.399315 (E_RNA)
where:
Base-Base interactions energy: -42.371
where: short stacking energy: -32.106
Base-Backbone interact. energy: -0.145
local terms energy: -64.883613
where:
bonds (distance) C4'-P energy: -17.961
bonds (distance) P-C4' energy: -12.110
flat angles C4'-P-C4' energy: -16.795
flat angles P-C4'-P energy: -7.932
tors. eta vs tors. theta energy: -10.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 75
Temperature: 1.300000
Total energy: -99.558007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.558007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.558007 (E_RNA)
where:
Base-Base interactions energy: -40.833
where: short stacking energy: -39.367
Base-Backbone interact. energy: -1.085
local terms energy: -57.639860
where:
bonds (distance) C4'-P energy: -9.730
bonds (distance) P-C4' energy: -18.429
flat angles C4'-P-C4' energy: -12.239
flat angles P-C4'-P energy: -9.995
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: 10, replica: 9
=====================================
Write number: 75
Temperature: 1.350000
Total energy: -95.010901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.010901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.010901 (E_RNA)
where:
Base-Base interactions energy: -41.637
where: short stacking energy: -41.637
Base-Backbone interact. energy: -0.116
local terms energy: -53.258406
where:
bonds (distance) C4'-P energy: -13.205
bonds (distance) P-C4' energy: -14.426
flat angles C4'-P-C4' energy: -11.086
flat angles P-C4'-P energy: -4.879
tors. eta vs tors. theta energy: -9.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 76
Temperature: 0.900000
Total energy: -288.936838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.936838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.936838 (E_RNA)
where:
Base-Base interactions energy: -196.166
where: short stacking energy: -82.548
Base-Backbone interact. energy: -1.382
local terms energy: -91.389278
where:
bonds (distance) C4'-P energy: -16.974
bonds (distance) P-C4' energy: -20.370
flat angles C4'-P-C4' energy: -19.088
flat angles P-C4'-P energy: -12.558
tors. eta vs tors. theta energy: -22.400
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: 7
=====================================
Write number: 76
Temperature: 0.950000
Total energy: -287.728674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.728674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.728674 (E_RNA)
where:
Base-Base interactions energy: -203.234
where: short stacking energy: -68.939
Base-Backbone interact. energy: -0.130
local terms energy: -84.364374
where:
bonds (distance) C4'-P energy: -19.156
bonds (distance) P-C4' energy: -17.502
flat angles C4'-P-C4' energy: -14.468
flat angles P-C4'-P energy: -15.082
tors. eta vs tors. theta energy: -18.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 76
Temperature: 1.000000
Total energy: -275.786548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.786548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.786548 (E_RNA)
where:
Base-Base interactions energy: -184.178
where: short stacking energy: -76.537
Base-Backbone interact. energy: -0.787
local terms energy: -90.822186
where:
bonds (distance) C4'-P energy: -17.198
bonds (distance) P-C4' energy: -14.346
flat angles C4'-P-C4' energy: -22.530
flat angles P-C4'-P energy: -14.398
tors. eta vs tors. theta energy: -22.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 76
Temperature: 1.050000
Total energy: -277.104027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.104027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.104027 (E_RNA)
where:
Base-Base interactions energy: -185.168
where: short stacking energy: -84.681
Base-Backbone interact. energy: -0.020
local terms energy: -91.915763
where:
bonds (distance) C4'-P energy: -16.967
bonds (distance) P-C4' energy: -14.360
flat angles C4'-P-C4' energy: -18.844
flat angles P-C4'-P energy: -13.806
tors. eta vs tors. theta energy: -27.938
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: 3
=====================================
Write number: 76
Temperature: 1.100000
Total energy: -267.021396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.021396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.021396 (E_RNA)
where:
Base-Base interactions energy: -184.024
where: short stacking energy: -80.920
Base-Backbone interact. energy: -0.270
local terms energy: -82.727710
where:
bonds (distance) C4'-P energy: -16.044
bonds (distance) P-C4' energy: -17.190
flat angles C4'-P-C4' energy: -18.997
flat angles P-C4'-P energy: -9.685
tors. eta vs tors. theta energy: -20.811
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: 6, replica: 6
=====================================
Write number: 76
Temperature: 1.150000
Total energy: -270.026985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.026985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.026985 (E_RNA)
where:
Base-Base interactions energy: -199.897
where: short stacking energy: -77.797
Base-Backbone interact. energy: -0.015
local terms energy: -70.115063
where:
bonds (distance) C4'-P energy: -5.986
bonds (distance) P-C4' energy: -14.493
flat angles C4'-P-C4' energy: -17.734
flat angles P-C4'-P energy: -11.808
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: 7, replica: 1
=====================================
Write number: 76
Temperature: 1.200000
Total energy: -195.139917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.139917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.139917 (E_RNA)
where:
Base-Base interactions energy: -120.914
where: short stacking energy: -64.227
Base-Backbone interact. energy: -0.158
local terms energy: -74.067836
where:
bonds (distance) C4'-P energy: -14.037
bonds (distance) P-C4' energy: -18.479
flat angles C4'-P-C4' energy: -17.667
flat angles P-C4'-P energy: -6.739
tors. eta vs tors. theta energy: -17.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 76
Temperature: 1.250000
Total energy: -104.729393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.729393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.729393 (E_RNA)
where:
Base-Base interactions energy: -48.683
where: short stacking energy: -19.636
Base-Backbone interact. energy: -0.151
local terms energy: -55.896097
where:
bonds (distance) C4'-P energy: -17.637
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -11.493
flat angles P-C4'-P energy: -8.799
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: 9, replica: 9
=====================================
Write number: 76
Temperature: 1.300000
Total energy: -97.145315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.145315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.145315 (E_RNA)
where:
Base-Base interactions energy: -37.037
where: short stacking energy: -32.655
Base-Backbone interact. energy: -0.113
local terms energy: -59.995382
where:
bonds (distance) C4'-P energy: -15.840
bonds (distance) P-C4' energy: -14.714
flat angles C4'-P-C4' energy: -14.944
flat angles P-C4'-P energy: -7.410
tors. eta vs tors. theta energy: -7.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 76
Temperature: 1.350000
Total energy: -79.309308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.309308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.309308 (E_RNA)
where:
Base-Base interactions energy: -25.690
where: short stacking energy: -24.749
Base-Backbone interact. energy: 1.601
local terms energy: -55.219689
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -13.202
flat angles C4'-P-C4' energy: -16.094
flat angles P-C4'-P energy: -8.655
tors. eta vs tors. theta energy: -0.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 77
Temperature: 0.900000
Total energy: -284.450798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.450798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.450798 (E_RNA)
where:
Base-Base interactions energy: -191.751
where: short stacking energy: -80.088
Base-Backbone interact. energy: -0.121
local terms energy: -92.578279
where:
bonds (distance) C4'-P energy: -17.371
bonds (distance) P-C4' energy: -20.093
flat angles C4'-P-C4' energy: -16.639
flat angles P-C4'-P energy: -13.270
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: 2, replica: 7
=====================================
Write number: 77
Temperature: 0.950000
Total energy: -289.596022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.596022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.596022 (E_RNA)
where:
Base-Base interactions energy: -199.061
where: short stacking energy: -76.782
Base-Backbone interact. energy: -1.402
local terms energy: -89.133096
where:
bonds (distance) C4'-P energy: -15.078
bonds (distance) P-C4' energy: -20.563
flat angles C4'-P-C4' energy: -18.332
flat angles P-C4'-P energy: -11.456
tors. eta vs tors. theta energy: -23.704
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: 10
=====================================
Write number: 77
Temperature: 1.000000
Total energy: -274.807615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.807615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.807615 (E_RNA)
where:
Base-Base interactions energy: -189.530
where: short stacking energy: -71.522
Base-Backbone interact. energy: -0.179
local terms energy: -85.099086
where:
bonds (distance) C4'-P energy: -16.862
bonds (distance) P-C4' energy: -20.109
flat angles C4'-P-C4' energy: -18.191
flat angles P-C4'-P energy: -13.439
tors. eta vs tors. theta energy: -16.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 77
Temperature: 1.050000
Total energy: -275.296985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.296985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.296985 (E_RNA)
where:
Base-Base interactions energy: -188.291
where: short stacking energy: -88.270
Base-Backbone interact. energy: -0.001
local terms energy: -87.004880
where:
bonds (distance) C4'-P energy: -16.035
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -18.301
flat angles P-C4'-P energy: -10.550
tors. eta vs tors. theta energy: -23.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 77
Temperature: 1.100000
Total energy: -274.161131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.161131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.161131 (E_RNA)
where:
Base-Base interactions energy: -184.172
where: short stacking energy: -76.882
Base-Backbone interact. energy: -0.119
local terms energy: -89.870087
where:
bonds (distance) C4'-P energy: -15.629
bonds (distance) P-C4' energy: -15.442
flat angles C4'-P-C4' energy: -20.075
flat angles P-C4'-P energy: -13.069
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: 6, replica: 1
=====================================
Write number: 77
Temperature: 1.150000
Total energy: -197.922165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.922165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.922165 (E_RNA)
where:
Base-Base interactions energy: -118.478
where: short stacking energy: -54.022
Base-Backbone interact. energy: 0.619
local terms energy: -80.062853
where:
bonds (distance) C4'-P energy: -17.488
bonds (distance) P-C4' energy: -20.950
flat angles C4'-P-C4' energy: -16.107
flat angles P-C4'-P energy: -11.735
tors. eta vs tors. theta energy: -13.783
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: 77
Temperature: 1.200000
Total energy: -239.131282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.131282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.131282 (E_RNA)
where:
Base-Base interactions energy: -167.060
where: short stacking energy: -59.475
Base-Backbone interact. energy: -0.444
local terms energy: -71.627866
where:
bonds (distance) C4'-P energy: -18.067
bonds (distance) P-C4' energy: -11.000
flat angles C4'-P-C4' energy: -14.104
flat angles P-C4'-P energy: -14.309
tors. eta vs tors. theta energy: -14.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 77
Temperature: 1.250000
Total energy: -96.127371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.127371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.127371 (E_RNA)
where:
Base-Base interactions energy: -39.681
where: short stacking energy: -18.953
Base-Backbone interact. energy: -0.223
local terms energy: -56.223664
where:
bonds (distance) C4'-P energy: -18.924
bonds (distance) P-C4' energy: -14.139
flat angles C4'-P-C4' energy: -11.987
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -0.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 77
Temperature: 1.300000
Total energy: -108.325988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.325988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.325988 (E_RNA)
where:
Base-Base interactions energy: -47.274
where: short stacking energy: -38.208
Base-Backbone interact. energy: 0.758
local terms energy: -61.810241
where:
bonds (distance) C4'-P energy: -12.934
bonds (distance) P-C4' energy: -17.389
flat angles C4'-P-C4' energy: -12.522
flat angles P-C4'-P energy: -10.629
tors. eta vs tors. theta energy: -8.336
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: 4
=====================================
Write number: 77
Temperature: 1.350000
Total energy: -92.573068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.573068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.573068 (E_RNA)
where:
Base-Base interactions energy: -37.488
where: short stacking energy: -37.417
Base-Backbone interact. energy: -0.070
local terms energy: -55.015645
where:
bonds (distance) C4'-P energy: -10.412
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -13.310
flat angles P-C4'-P energy: -5.066
tors. eta vs tors. theta energy: -7.866
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: 1, replica: 7
=====================================
Write number: 78
Temperature: 0.900000
Total energy: -290.974341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.974341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.974341 (E_RNA)
where:
Base-Base interactions energy: -198.994
where: short stacking energy: -69.606
Base-Backbone interact. energy: -0.121
local terms energy: -91.859080
where:
bonds (distance) C4'-P energy: -19.823
bonds (distance) P-C4' energy: -17.959
flat angles C4'-P-C4' energy: -20.065
flat angles P-C4'-P energy: -12.169
tors. eta vs tors. theta energy: -21.843
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: 2, replica: 2
=====================================
Write number: 78
Temperature: 0.950000
Total energy: -283.398507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.398507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.398507 (E_RNA)
where:
Base-Base interactions energy: -195.134
where: short stacking energy: -77.489
Base-Backbone interact. energy: -1.481
local terms energy: -86.783990
where:
bonds (distance) C4'-P energy: -14.385
bonds (distance) P-C4' energy: -15.901
flat angles C4'-P-C4' energy: -17.356
flat angles P-C4'-P energy: -15.649
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: 3, replica: 3
=====================================
Write number: 78
Temperature: 1.000000
Total energy: -275.745513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.745513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.745513 (E_RNA)
where:
Base-Base interactions energy: -189.013
where: short stacking energy: -80.246
Base-Backbone interact. energy: -0.107
local terms energy: -86.625449
where:
bonds (distance) C4'-P energy: -11.035
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -19.283
flat angles P-C4'-P energy: -14.451
tors. eta vs tors. theta energy: -25.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 78
Temperature: 1.050000
Total energy: -275.137759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.137759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.137759 (E_RNA)
where:
Base-Base interactions energy: -193.081
where: short stacking energy: -66.406
Base-Backbone interact. energy: -0.439
local terms energy: -81.617130
where:
bonds (distance) C4'-P energy: -11.590
bonds (distance) P-C4' energy: -13.772
flat angles C4'-P-C4' energy: -20.779
flat angles P-C4'-P energy: -10.852
tors. eta vs tors. theta energy: -24.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 78
Temperature: 1.100000
Total energy: -271.261353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.261353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.261353 (E_RNA)
where:
Base-Base interactions energy: -186.609
where: short stacking energy: -76.124
Base-Backbone interact. energy: -0.717
local terms energy: -83.935215
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -13.424
flat angles C4'-P-C4' energy: -17.956
flat angles P-C4'-P energy: -13.170
tors. eta vs tors. theta energy: -25.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 78
Temperature: 1.150000
Total energy: -186.497391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.497391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.497391 (E_RNA)
where:
Base-Base interactions energy: -128.252
where: short stacking energy: -54.494
Base-Backbone interact. energy: -0.367
local terms energy: -57.879104
where:
bonds (distance) C4'-P energy: -10.692
bonds (distance) P-C4' energy: -15.131
flat angles C4'-P-C4' energy: -16.749
flat angles P-C4'-P energy: -3.480
tors. eta vs tors. theta energy: -11.827
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: 78
Temperature: 1.200000
Total energy: -237.646003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -237.646003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -237.646003 (E_RNA)
where:
Base-Base interactions energy: -160.069
where: short stacking energy: -63.950
Base-Backbone interact. energy: -0.042
local terms energy: -77.534458
where:
bonds (distance) C4'-P energy: -16.884
bonds (distance) P-C4' energy: -15.584
flat angles C4'-P-C4' energy: -14.722
flat angles P-C4'-P energy: -12.311
tors. eta vs tors. theta energy: -18.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 78
Temperature: 1.250000
Total energy: -84.939096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.939096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.939096 (E_RNA)
where:
Base-Base interactions energy: -39.131
where: short stacking energy: -30.375
Base-Backbone interact. energy: 0.912
local terms energy: -46.719830
where:
bonds (distance) C4'-P energy: -13.112
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -14.435
flat angles P-C4'-P energy: -5.329
tors. eta vs tors. theta energy: 0.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 78
Temperature: 1.300000
Total energy: -140.042553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.042553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.042553 (E_RNA)
where:
Base-Base interactions energy: -70.426
where: short stacking energy: -27.632
Base-Backbone interact. energy: -0.301
local terms energy: -69.315184
where:
bonds (distance) C4'-P energy: -16.594
bonds (distance) P-C4' energy: -19.820
flat angles C4'-P-C4' energy: -17.569
flat angles P-C4'-P energy: -11.943
tors. eta vs tors. theta energy: -3.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 78
Temperature: 1.350000
Total energy: -84.247675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.247675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.247675 (E_RNA)
where:
Base-Base interactions energy: -34.576
where: short stacking energy: -29.627
Base-Backbone interact. energy: -0.183
local terms energy: -49.488390
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -12.075
flat angles C4'-P-C4' energy: -13.942
flat angles P-C4'-P energy: -6.695
tors. eta vs tors. theta energy: -0.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 79
Temperature: 0.900000
Total energy: -287.627645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.627645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.627645 (E_RNA)
where:
Base-Base interactions energy: -191.792
where: short stacking energy: -75.044
Base-Backbone interact. energy: -0.840
local terms energy: -94.995241
where:
bonds (distance) C4'-P energy: -19.516
bonds (distance) P-C4' energy: -17.419
flat angles C4'-P-C4' energy: -21.994
flat angles P-C4'-P energy: -13.153
tors. eta vs tors. theta energy: -22.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 79
Temperature: 0.950000
Total energy: -283.462259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.462259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.462259 (E_RNA)
where:
Base-Base interactions energy: -192.065
where: short stacking energy: -82.922
Base-Backbone interact. energy: -1.152
local terms energy: -90.246049
where:
bonds (distance) C4'-P energy: -17.472
bonds (distance) P-C4' energy: -15.381
flat angles C4'-P-C4' energy: -21.557
flat angles P-C4'-P energy: -12.089
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: 3, replica: 2
=====================================
Write number: 79
Temperature: 1.000000
Total energy: -284.088185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.088185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.088185 (E_RNA)
where:
Base-Base interactions energy: -198.089
where: short stacking energy: -78.343
Base-Backbone interact. energy: -0.247
local terms energy: -85.752299
where:
bonds (distance) C4'-P energy: -14.640
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -17.022
flat angles P-C4'-P energy: -12.462
tors. eta vs tors. theta energy: -24.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 79
Temperature: 1.050000
Total energy: -267.490286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.490286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.490286 (E_RNA)
where:
Base-Base interactions energy: -181.129
where: short stacking energy: -75.831
Base-Backbone interact. energy: -0.281
local terms energy: -86.080328
where:
bonds (distance) C4'-P energy: -19.107
bonds (distance) P-C4' energy: -16.799
flat angles C4'-P-C4' energy: -17.273
flat angles P-C4'-P energy: -9.685
tors. eta vs tors. theta energy: -23.217
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: 5
=====================================
Write number: 79
Temperature: 1.100000
Total energy: -270.990878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.990878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.990878 (E_RNA)
where:
Base-Base interactions energy: -183.331
where: short stacking energy: -73.033
Base-Backbone interact. energy: -0.003
local terms energy: -87.656324
where:
bonds (distance) C4'-P energy: -18.010
bonds (distance) P-C4' energy: -19.032
flat angles C4'-P-C4' energy: -16.804
flat angles P-C4'-P energy: -14.045
tors. eta vs tors. theta energy: -19.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 79
Temperature: 1.150000
Total energy: -254.376905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.376905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.376905 (E_RNA)
where:
Base-Base interactions energy: -173.893
where: short stacking energy: -65.006
Base-Backbone interact. energy: -0.181
local terms energy: -80.303785
where:
bonds (distance) C4'-P energy: -15.967
bonds (distance) P-C4' energy: -19.470
flat angles C4'-P-C4' energy: -12.335
flat angles P-C4'-P energy: -12.362
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: 7, replica: 1
=====================================
Write number: 79
Temperature: 1.200000
Total energy: -206.925061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.925061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.925061 (E_RNA)
where:
Base-Base interactions energy: -129.813
where: short stacking energy: -66.078
Base-Backbone interact. energy: -0.705
local terms energy: -76.407632
where:
bonds (distance) C4'-P energy: -15.622
bonds (distance) P-C4' energy: -18.646
flat angles C4'-P-C4' energy: -16.125
flat angles P-C4'-P energy: -9.539
tors. eta vs tors. theta energy: -16.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 79
Temperature: 1.250000
Total energy: -151.632017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.632017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.632017 (E_RNA)
where:
Base-Base interactions energy: -92.168
where: short stacking energy: -41.117
Base-Backbone interact. energy: -2.805
local terms energy: -56.659323
where:
bonds (distance) C4'-P energy: -13.431
bonds (distance) P-C4' energy: -12.376
flat angles C4'-P-C4' energy: -17.115
flat angles P-C4'-P energy: -6.133
tors. eta vs tors. theta energy: -7.604
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 79
Temperature: 1.300000
Total energy: -93.417661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.417661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.417661 (E_RNA)
where:
Base-Base interactions energy: -39.217
where: short stacking energy: -22.061
Base-Backbone interact. energy: -0.506
local terms energy: -53.695489
where:
bonds (distance) C4'-P energy: -9.270
bonds (distance) P-C4' energy: -20.060
flat angles C4'-P-C4' energy: -13.585
flat angles P-C4'-P energy: -10.795
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: 10, replica: 8
=====================================
Write number: 79
Temperature: 1.350000
Total energy: -84.178709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.178709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.178709 (E_RNA)
where:
Base-Base interactions energy: -36.183
where: short stacking energy: -28.315
Base-Backbone interact. energy: -0.287
local terms energy: -47.709330
where:
bonds (distance) C4'-P energy: -3.876
bonds (distance) P-C4' energy: -17.679
flat angles C4'-P-C4' energy: -14.730
flat angles P-C4'-P energy: -13.286
tors. eta vs tors. theta energy: 1.862
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 80
Temperature: 0.900000
Total energy: -288.571010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.571010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.571010 (E_RNA)
where:
Base-Base interactions energy: -198.806
where: short stacking energy: -65.550
Base-Backbone interact. energy: -1.638
local terms energy: -88.126921
where:
bonds (distance) C4'-P energy: -20.155
bonds (distance) P-C4' energy: -19.809
flat angles C4'-P-C4' energy: -12.088
flat angles P-C4'-P energy: -15.389
tors. eta vs tors. theta energy: -20.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 80
Temperature: 0.950000
Total energy: -283.361630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.361630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.361630 (E_RNA)
where:
Base-Base interactions energy: -196.323
where: short stacking energy: -73.661
Base-Backbone interact. energy: -1.316
local terms energy: -85.722544
where:
bonds (distance) C4'-P energy: -17.359
bonds (distance) P-C4' energy: -16.016
flat angles C4'-P-C4' energy: -17.084
flat angles P-C4'-P energy: -13.134
tors. eta vs tors. theta energy: -22.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 80
Temperature: 1.000000
Total energy: -273.593073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.593073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.593073 (E_RNA)
where:
Base-Base interactions energy: -180.486
where: short stacking energy: -73.161
Base-Backbone interact. energy: 1.324
local terms energy: -94.430785
where:
bonds (distance) C4'-P energy: -20.121
bonds (distance) P-C4' energy: -18.146
flat angles C4'-P-C4' energy: -17.553
flat angles P-C4'-P energy: -14.196
tors. eta vs tors. theta energy: -24.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 80
Temperature: 1.050000
Total energy: -274.327215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.327215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.327215 (E_RNA)
where:
Base-Base interactions energy: -188.208
where: short stacking energy: -73.868
Base-Backbone interact. energy: -0.121
local terms energy: -85.998989
where:
bonds (distance) C4'-P energy: -17.171
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -19.884
flat angles P-C4'-P energy: -11.508
tors. eta vs tors. theta energy: -20.631
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: 5
=====================================
Write number: 80
Temperature: 1.100000
Total energy: -273.197732 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.197732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.197732 (E_RNA)
where:
Base-Base interactions energy: -190.302
where: short stacking energy: -74.651
Base-Backbone interact. energy: -0.015
local terms energy: -82.880903
where:
bonds (distance) C4'-P energy: -17.579
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -16.672
flat angles P-C4'-P energy: -9.843
tors. eta vs tors. theta energy: -21.690
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: 80
Temperature: 1.150000
Total energy: -253.458898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.458898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.458898 (E_RNA)
where:
Base-Base interactions energy: -177.201
where: short stacking energy: -67.572
Base-Backbone interact. energy: -0.081
local terms energy: -76.176679
where:
bonds (distance) C4'-P energy: -16.458
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -14.940
flat angles P-C4'-P energy: -8.141
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: 7, replica: 1
=====================================
Write number: 80
Temperature: 1.200000
Total energy: -183.813319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.813319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.813319 (E_RNA)
where:
Base-Base interactions energy: -106.823
where: short stacking energy: -54.495
Base-Backbone interact. energy: 0.131
local terms energy: -77.121671
where:
bonds (distance) C4'-P energy: -17.902
bonds (distance) P-C4' energy: -18.198
flat angles C4'-P-C4' energy: -14.984
flat angles P-C4'-P energy: -12.684
tors. eta vs tors. theta energy: -13.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 80
Temperature: 1.250000
Total energy: -164.982286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.982286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.982286 (E_RNA)
where:
Base-Base interactions energy: -94.478
where: short stacking energy: -47.123
Base-Backbone interact. energy: -0.126
local terms energy: -70.379035
where:
bonds (distance) C4'-P energy: -14.844
bonds (distance) P-C4' energy: -19.221
flat angles C4'-P-C4' energy: -16.835
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: -9.913
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: 9, replica: 8
=====================================
Write number: 80
Temperature: 1.300000
Total energy: -88.933208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.933208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.933208 (E_RNA)
where:
Base-Base interactions energy: -34.155
where: short stacking energy: -26.637
Base-Backbone interact. energy: -0.194
local terms energy: -54.584103
where:
bonds (distance) C4'-P energy: -11.065
bonds (distance) P-C4' energy: -17.547
flat angles C4'-P-C4' energy: -15.411
flat angles P-C4'-P energy: -9.572
tors. eta vs tors. theta energy: -0.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 80
Temperature: 1.350000
Total energy: -95.094361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.094361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.094361 (E_RNA)
where:
Base-Base interactions energy: -38.312
where: short stacking energy: -38.312
Base-Backbone interact. energy: -0.112
local terms energy: -56.670299
where:
bonds (distance) C4'-P energy: -12.478
bonds (distance) P-C4' energy: -16.579
flat angles C4'-P-C4' energy: -13.598
flat angles P-C4'-P energy: -6.862
tors. eta vs tors. theta energy: -7.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 81
Temperature: 0.900000
Total energy: -286.681552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.681552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.681552 (E_RNA)
where:
Base-Base interactions energy: -192.081
where: short stacking energy: -81.268
Base-Backbone interact. energy: -1.743
local terms energy: -92.856928
where:
bonds (distance) C4'-P energy: -18.502
bonds (distance) P-C4' energy: -19.042
flat angles C4'-P-C4' energy: -20.763
flat angles P-C4'-P energy: -10.779
tors. eta vs tors. theta energy: -23.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 81
Temperature: 0.950000
Total energy: -279.761029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.761029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.761029 (E_RNA)
where:
Base-Base interactions energy: -184.799
where: short stacking energy: -83.574
Base-Backbone interact. energy: -0.392
local terms energy: -94.570037
where:
bonds (distance) C4'-P energy: -18.556
bonds (distance) P-C4' energy: -17.625
flat angles C4'-P-C4' energy: -17.410
flat angles P-C4'-P energy: -16.077
tors. eta vs tors. theta energy: -24.902
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: 7
=====================================
Write number: 81
Temperature: 1.000000
Total energy: -271.102352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.102352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.102352 (E_RNA)
where:
Base-Base interactions energy: -190.124
where: short stacking energy: -79.845
Base-Backbone interact. energy: -0.737
local terms energy: -80.241121
where:
bonds (distance) C4'-P energy: -12.140
bonds (distance) P-C4' energy: -13.145
flat angles C4'-P-C4' energy: -17.853
flat angles P-C4'-P energy: -12.646
tors. eta vs tors. theta energy: -24.456
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: 81
Temperature: 1.050000
Total energy: -278.590285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.590285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.590285 (E_RNA)
where:
Base-Base interactions energy: -185.043
where: short stacking energy: -70.747
Base-Backbone interact. energy: -0.131
local terms energy: -93.416581
where:
bonds (distance) C4'-P energy: -17.848
bonds (distance) P-C4' energy: -16.605
flat angles C4'-P-C4' energy: -17.821
flat angles P-C4'-P energy: -16.852
tors. eta vs tors. theta energy: -24.291
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: 5
=====================================
Write number: 81
Temperature: 1.100000
Total energy: -265.245149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.245149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.245149 (E_RNA)
where:
Base-Base interactions energy: -182.403
where: short stacking energy: -79.567
Base-Backbone interact. energy: -0.011
local terms energy: -82.831076
where:
bonds (distance) C4'-P energy: -16.241
bonds (distance) P-C4' energy: -15.898
flat angles C4'-P-C4' energy: -19.182
flat angles P-C4'-P energy: -8.629
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: 6, replica: 6
=====================================
Write number: 81
Temperature: 1.150000
Total energy: -225.731239 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.731239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.731239 (E_RNA)
where:
Base-Base interactions energy: -151.380
where: short stacking energy: -58.925
Base-Backbone interact. energy: -0.787
local terms energy: -73.564923
where:
bonds (distance) C4'-P energy: -16.635
bonds (distance) P-C4' energy: -14.983
flat angles C4'-P-C4' energy: -15.788
flat angles P-C4'-P energy: -6.808
tors. eta vs tors. theta energy: -19.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 81
Temperature: 1.200000
Total energy: -181.550765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.550765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.550765 (E_RNA)
where:
Base-Base interactions energy: -107.063
where: short stacking energy: -53.037
Base-Backbone interact. energy: 1.181
local terms energy: -75.668451
where:
bonds (distance) C4'-P energy: -16.067
bonds (distance) P-C4' energy: -19.436
flat angles C4'-P-C4' energy: -17.518
flat angles P-C4'-P energy: -12.573
tors. eta vs tors. theta energy: -10.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 81
Temperature: 1.250000
Total energy: -146.851674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.851674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.851674 (E_RNA)
where:
Base-Base interactions energy: -88.437
where: short stacking energy: -41.391
Base-Backbone interact. energy: -0.225
local terms energy: -58.189156
where:
bonds (distance) C4'-P energy: -12.345
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -15.113
flat angles P-C4'-P energy: -8.340
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: 9, replica: 8
=====================================
Write number: 81
Temperature: 1.300000
Total energy: -94.193478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.193478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.193478 (E_RNA)
where:
Base-Base interactions energy: -31.787
where: short stacking energy: -25.217
Base-Backbone interact. energy: -0.164
local terms energy: -62.243190
where:
bonds (distance) C4'-P energy: -18.614
bonds (distance) P-C4' energy: -18.125
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -9.127
tors. eta vs tors. theta energy: -0.561
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: 9
=====================================
Write number: 81
Temperature: 1.350000
Total energy: -85.985202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.985202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.985202 (E_RNA)
where:
Base-Base interactions energy: -23.105
where: short stacking energy: -17.027
Base-Backbone interact. energy: -0.716
local terms energy: -62.164554
where:
bonds (distance) C4'-P energy: -18.887
bonds (distance) P-C4' energy: -19.033
flat angles C4'-P-C4' energy: -16.664
flat angles P-C4'-P energy: -7.787
tors. eta vs tors. theta energy: 0.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 82
Temperature: 0.900000
Total energy: -289.111280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.111280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.111280 (E_RNA)
where:
Base-Base interactions energy: -189.793
where: short stacking energy: -80.316
Base-Backbone interact. energy: -1.883
local terms energy: -97.435183
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -18.780
flat angles C4'-P-C4' energy: -20.311
flat angles P-C4'-P energy: -17.473
tors. eta vs tors. theta energy: -25.079
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: 82
Temperature: 0.950000
Total energy: -285.599897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.599897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.599897 (E_RNA)
where:
Base-Base interactions energy: -193.834
where: short stacking energy: -80.770
Base-Backbone interact. energy: -0.749
local terms energy: -91.016574
where:
bonds (distance) C4'-P energy: -19.827
bonds (distance) P-C4' energy: -16.506
flat angles C4'-P-C4' energy: -15.150
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: -27.678
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: 2
=====================================
Write number: 82
Temperature: 1.000000
Total energy: -287.136404 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.136404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.136404 (E_RNA)
where:
Base-Base interactions energy: -193.033
where: short stacking energy: -78.619
Base-Backbone interact. energy: -0.102
local terms energy: -94.001551
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -19.530
flat angles C4'-P-C4' energy: -20.034
flat angles P-C4'-P energy: -14.344
tors. eta vs tors. theta energy: -23.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 82
Temperature: 1.050000
Total energy: -276.289935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.289935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.289935 (E_RNA)
where:
Base-Base interactions energy: -187.069
where: short stacking energy: -82.669
Base-Backbone interact. energy: -1.069
local terms energy: -88.151461
where:
bonds (distance) C4'-P energy: -14.006
bonds (distance) P-C4' energy: -18.689
flat angles C4'-P-C4' energy: -20.370
flat angles P-C4'-P energy: -11.966
tors. eta vs tors. theta energy: -23.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 82
Temperature: 1.100000
Total energy: -266.408534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.408534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.408534 (E_RNA)
where:
Base-Base interactions energy: -182.526
where: short stacking energy: -73.486
Base-Backbone interact. energy: -0.118
local terms energy: -83.764232
where:
bonds (distance) C4'-P energy: -16.441
bonds (distance) P-C4' energy: -17.250
flat angles C4'-P-C4' energy: -17.410
flat angles P-C4'-P energy: -14.025
tors. eta vs tors. theta energy: -18.637
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 82
Temperature: 1.150000
Total energy: -203.045373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.045373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.045373 (E_RNA)
where:
Base-Base interactions energy: -128.444
where: short stacking energy: -51.481
Base-Backbone interact. energy: -0.172
local terms energy: -74.429477
where:
bonds (distance) C4'-P energy: -9.738
bonds (distance) P-C4' energy: -18.323
flat angles C4'-P-C4' energy: -18.843
flat angles P-C4'-P energy: -14.211
tors. eta vs tors. theta energy: -13.314
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: 4
=====================================
Write number: 82
Temperature: 1.200000
Total energy: -181.197686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.197686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.197686 (E_RNA)
where:
Base-Base interactions energy: -109.737
where: short stacking energy: -47.135
Base-Backbone interact. energy: 0.284
local terms energy: -71.745477
where:
bonds (distance) C4'-P energy: -17.641
bonds (distance) P-C4' energy: -15.345
flat angles C4'-P-C4' energy: -17.797
flat angles P-C4'-P energy: -12.204
tors. eta vs tors. theta energy: -8.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 82
Temperature: 1.250000
Total energy: -184.514089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.514089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.514089 (E_RNA)
where:
Base-Base interactions energy: -112.929
where: short stacking energy: -54.891
Base-Backbone interact. energy: -0.296
local terms energy: -71.289002
where:
bonds (distance) C4'-P energy: -12.061
bonds (distance) P-C4' energy: -19.233
flat angles C4'-P-C4' energy: -16.041
flat angles P-C4'-P energy: -13.437
tors. eta vs tors. theta energy: -10.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 82
Temperature: 1.300000
Total energy: -88.322670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.322670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.322670 (E_RNA)
where:
Base-Base interactions energy: -28.732
where: short stacking energy: -28.732
Base-Backbone interact. energy: -0.100
local terms energy: -59.490169
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -20.320
flat angles C4'-P-C4' energy: -10.453
flat angles P-C4'-P energy: -5.953
tors. eta vs tors. theta energy: -7.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 82
Temperature: 1.350000
Total energy: -93.209839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.209839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.209839 (E_RNA)
where:
Base-Base interactions energy: -25.443
where: short stacking energy: -25.443
Base-Backbone interact. energy: -0.043
local terms energy: -67.724485
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -17.126
flat angles C4'-P-C4' energy: -18.414
flat angles P-C4'-P energy: -10.409
tors. eta vs tors. theta energy: -7.366
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: 10
=====================================
Write number: 83
Temperature: 0.900000
Total energy: -286.163241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.163241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.163241 (E_RNA)
where:
Base-Base interactions energy: -194.035
where: short stacking energy: -79.125
Base-Backbone interact. energy: -0.004
local terms energy: -92.123847
where:
bonds (distance) C4'-P energy: -18.209
bonds (distance) P-C4' energy: -15.030
flat angles C4'-P-C4' energy: -20.020
flat angles P-C4'-P energy: -12.180
tors. eta vs tors. theta energy: -26.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 83
Temperature: 0.950000
Total energy: -293.190867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.190867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.190867 (E_RNA)
where:
Base-Base interactions energy: -197.210
where: short stacking energy: -79.390
Base-Backbone interact. energy: -0.053
local terms energy: -95.927736
where:
bonds (distance) C4'-P energy: -16.958
bonds (distance) P-C4' energy: -19.417
flat angles C4'-P-C4' energy: -21.282
flat angles P-C4'-P energy: -15.021
tors. eta vs tors. theta energy: -23.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 83
Temperature: 1.000000
Total energy: -283.045718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.045718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.045718 (E_RNA)
where:
Base-Base interactions energy: -187.391
where: short stacking energy: -73.951
Base-Backbone interact. energy: -1.179
local terms energy: -94.475327
where:
bonds (distance) C4'-P energy: -18.048
bonds (distance) P-C4' energy: -19.630
flat angles C4'-P-C4' energy: -19.833
flat angles P-C4'-P energy: -12.678
tors. eta vs tors. theta energy: -24.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 83
Temperature: 1.050000
Total energy: -277.635844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.635844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.635844 (E_RNA)
where:
Base-Base interactions energy: -190.423
where: short stacking energy: -77.335
Base-Backbone interact. energy: -0.005
local terms energy: -87.207356
where:
bonds (distance) C4'-P energy: -17.212
bonds (distance) P-C4' energy: -15.899
flat angles C4'-P-C4' energy: -18.943
flat angles P-C4'-P energy: -10.534
tors. eta vs tors. theta energy: -24.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 83
Temperature: 1.100000
Total energy: -270.339510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.339510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.339510 (E_RNA)
where:
Base-Base interactions energy: -187.112
where: short stacking energy: -74.185
Base-Backbone interact. energy: -0.084
local terms energy: -83.143655
where:
bonds (distance) C4'-P energy: -12.018
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -21.316
flat angles P-C4'-P energy: -11.684
tors. eta vs tors. theta energy: -23.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 83
Temperature: 1.150000
Total energy: -242.844940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.844940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.844940 (E_RNA)
where:
Base-Base interactions energy: -161.429
where: short stacking energy: -72.442
Base-Backbone interact. energy: -0.757
local terms energy: -80.659016
where:
bonds (distance) C4'-P energy: -10.831
bonds (distance) P-C4' energy: -17.558
flat angles C4'-P-C4' energy: -20.090
flat angles P-C4'-P energy: -10.290
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: 7, replica: 4
=====================================
Write number: 83
Temperature: 1.200000
Total energy: -218.976270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.976270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.976270 (E_RNA)
where:
Base-Base interactions energy: -139.525
where: short stacking energy: -52.857
Base-Backbone interact. energy: -1.579
local terms energy: -77.871533
where:
bonds (distance) C4'-P energy: -19.530
bonds (distance) P-C4' energy: -19.013
flat angles C4'-P-C4' energy: -14.791
flat angles P-C4'-P energy: -8.782
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: 8, replica: 1
=====================================
Write number: 83
Temperature: 1.250000
Total energy: -170.529727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.529727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.529727 (E_RNA)
where:
Base-Base interactions energy: -104.286
where: short stacking energy: -54.289
Base-Backbone interact. energy: -0.548
local terms energy: -65.696047
where:
bonds (distance) C4'-P energy: -11.451
bonds (distance) P-C4' energy: -12.832
flat angles C4'-P-C4' energy: -15.234
flat angles P-C4'-P energy: -12.025
tors. eta vs tors. theta energy: -14.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 83
Temperature: 1.300000
Total energy: -92.498726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.498726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.498726 (E_RNA)
where:
Base-Base interactions energy: -39.200
where: short stacking energy: -28.064
Base-Backbone interact. energy: -0.075
local terms energy: -53.223708
where:
bonds (distance) C4'-P energy: -12.524
bonds (distance) P-C4' energy: -17.647
flat angles C4'-P-C4' energy: -9.040
flat angles P-C4'-P energy: -9.921
tors. eta vs tors. theta energy: -4.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 83
Temperature: 1.350000
Total energy: -86.876670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.876670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.876670 (E_RNA)
where:
Base-Base interactions energy: -42.780
where: short stacking energy: -17.453
Base-Backbone interact. energy: -0.463
local terms energy: -43.633480
where:
bonds (distance) C4'-P energy: -11.437
bonds (distance) P-C4' energy: -12.814
flat angles C4'-P-C4' energy: -6.745
flat angles P-C4'-P energy: -13.085
tors. eta vs tors. theta energy: 0.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 84
Temperature: 0.900000
Total energy: -287.727923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.727923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.727923 (E_RNA)
where:
Base-Base interactions energy: -197.849
where: short stacking energy: -78.225
Base-Backbone interact. energy: -1.944
local terms energy: -87.935113
where:
bonds (distance) C4'-P energy: -12.677
bonds (distance) P-C4' energy: -18.714
flat angles C4'-P-C4' energy: -16.727
flat angles P-C4'-P energy: -14.502
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: 10
=====================================
Write number: 84
Temperature: 0.950000
Total energy: -281.216064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.216064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.216064 (E_RNA)
where:
Base-Base interactions energy: -194.663
where: short stacking energy: -79.319
Base-Backbone interact. energy: -0.038
local terms energy: -86.515059
where:
bonds (distance) C4'-P energy: -15.009
bonds (distance) P-C4' energy: -16.102
flat angles C4'-P-C4' energy: -20.132
flat angles P-C4'-P energy: -10.890
tors. eta vs tors. theta energy: -24.383
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: 7
=====================================
Write number: 84
Temperature: 1.000000
Total energy: -277.532728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.532728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.532728 (E_RNA)
where:
Base-Base interactions energy: -185.658
where: short stacking energy: -69.811
Base-Backbone interact. energy: -0.016
local terms energy: -91.858898
where:
bonds (distance) C4'-P energy: -12.954
bonds (distance) P-C4' energy: -18.840
flat angles C4'-P-C4' energy: -20.399
flat angles P-C4'-P energy: -17.072
tors. eta vs tors. theta energy: -22.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 84
Temperature: 1.050000
Total energy: -275.469703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.469703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.469703 (E_RNA)
where:
Base-Base interactions energy: -187.862
where: short stacking energy: -74.741
Base-Backbone interact. energy: -0.654
local terms energy: -86.954005
where:
bonds (distance) C4'-P energy: -16.835
bonds (distance) P-C4' energy: -19.406
flat angles C4'-P-C4' energy: -15.142
flat angles P-C4'-P energy: -9.589
tors. eta vs tors. theta energy: -25.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 84
Temperature: 1.100000
Total energy: -265.773904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.773904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.773904 (E_RNA)
where:
Base-Base interactions energy: -188.396
where: short stacking energy: -72.403
Base-Backbone interact. energy: 0.209
local terms energy: -77.587157
where:
bonds (distance) C4'-P energy: -11.428
bonds (distance) P-C4' energy: -14.104
flat angles C4'-P-C4' energy: -18.514
flat angles P-C4'-P energy: -11.812
tors. eta vs tors. theta energy: -21.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 84
Temperature: 1.150000
Total energy: -242.039254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.039254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.039254 (E_RNA)
where:
Base-Base interactions energy: -165.907
where: short stacking energy: -59.885
Base-Backbone interact. energy: -0.054
local terms energy: -76.078995
where:
bonds (distance) C4'-P energy: -16.374
bonds (distance) P-C4' energy: -16.898
flat angles C4'-P-C4' energy: -17.128
flat angles P-C4'-P energy: -7.412
tors. eta vs tors. theta energy: -18.266
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: 7, replica: 4
=====================================
Write number: 84
Temperature: 1.200000
Total energy: -188.020384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.020384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.020384 (E_RNA)
where:
Base-Base interactions energy: -118.523
where: short stacking energy: -52.373
Base-Backbone interact. energy: -0.119
local terms energy: -69.378349
where:
bonds (distance) C4'-P energy: -16.545
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -18.186
flat angles P-C4'-P energy: -8.399
tors. eta vs tors. theta energy: -14.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 84
Temperature: 1.250000
Total energy: -145.871251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.871251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.871251 (E_RNA)
where:
Base-Base interactions energy: -83.581
where: short stacking energy: -45.521
Base-Backbone interact. energy: 0.937
local terms energy: -63.227568
where:
bonds (distance) C4'-P energy: -13.063
bonds (distance) P-C4' energy: -17.124
flat angles C4'-P-C4' energy: -18.065
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: -4.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 84
Temperature: 1.300000
Total energy: -98.311985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.311985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.311985 (E_RNA)
where:
Base-Base interactions energy: -36.486
where: short stacking energy: -22.778
Base-Backbone interact. energy: -0.598
local terms energy: -61.227849
where:
bonds (distance) C4'-P energy: -13.009
bonds (distance) P-C4' energy: -19.194
flat angles C4'-P-C4' energy: -14.309
flat angles P-C4'-P energy: -8.808
tors. eta vs tors. theta energy: -5.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 84
Temperature: 1.350000
Total energy: -86.126682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.126682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.126682 (E_RNA)
where:
Base-Base interactions energy: -28.429
where: short stacking energy: -16.560
Base-Backbone interact. energy: -0.349
local terms energy: -57.348998
where:
bonds (distance) C4'-P energy: -16.117
bonds (distance) P-C4' energy: -18.491
flat angles C4'-P-C4' energy: -8.642
flat angles P-C4'-P energy: -12.938
tors. eta vs tors. theta energy: -1.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 85
Temperature: 0.900000
Total energy: -292.450125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.450125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.450125 (E_RNA)
where:
Base-Base interactions energy: -200.228
where: short stacking energy: -82.751
Base-Backbone interact. energy: -0.943
local terms energy: -91.279003
where:
bonds (distance) C4'-P energy: -15.819
bonds (distance) P-C4' energy: -17.787
flat angles C4'-P-C4' energy: -18.878
flat angles P-C4'-P energy: -14.889
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: 7
=====================================
Write number: 85
Temperature: 0.950000
Total energy: -290.616761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.616761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.616761 (E_RNA)
where:
Base-Base interactions energy: -196.999
where: short stacking energy: -82.060
Base-Backbone interact. energy: -0.279
local terms energy: -93.338799
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -18.227
flat angles C4'-P-C4' energy: -17.292
flat angles P-C4'-P energy: -13.403
tors. eta vs tors. theta energy: -27.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 85
Temperature: 1.000000
Total energy: -282.825527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.825527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.825527 (E_RNA)
where:
Base-Base interactions energy: -192.096
where: short stacking energy: -79.502
Base-Backbone interact. energy: -0.010
local terms energy: -90.719636
where:
bonds (distance) C4'-P energy: -16.238
bonds (distance) P-C4' energy: -16.281
flat angles C4'-P-C4' energy: -19.522
flat angles P-C4'-P energy: -14.901
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: 4, replica: 6
=====================================
Write number: 85
Temperature: 1.050000
Total energy: -270.768875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.768875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.768875 (E_RNA)
where:
Base-Base interactions energy: -189.403
where: short stacking energy: -75.184
Base-Backbone interact. energy: -0.799
local terms energy: -80.567101
where:
bonds (distance) C4'-P energy: -12.602
bonds (distance) P-C4' energy: -17.386
flat angles C4'-P-C4' energy: -16.492
flat angles P-C4'-P energy: -9.833
tors. eta vs tors. theta energy: -24.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 85
Temperature: 1.100000
Total energy: -271.122198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.122198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.122198 (E_RNA)
where:
Base-Base interactions energy: -189.748
where: short stacking energy: -76.505
Base-Backbone interact. energy: -2.655
local terms energy: -78.719461
where:
bonds (distance) C4'-P energy: -11.312
bonds (distance) P-C4' energy: -11.378
flat angles C4'-P-C4' energy: -21.848
flat angles P-C4'-P energy: -13.426
tors. eta vs tors. theta energy: -20.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 85
Temperature: 1.150000
Total energy: -217.710746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.710746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.710746 (E_RNA)
where:
Base-Base interactions energy: -146.705
where: short stacking energy: -58.938
Base-Backbone interact. energy: -0.511
local terms energy: -70.494798
where:
bonds (distance) C4'-P energy: -17.806
bonds (distance) P-C4' energy: -16.962
flat angles C4'-P-C4' energy: -17.803
flat angles P-C4'-P energy: -7.728
tors. eta vs tors. theta energy: -10.196
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 85
Temperature: 1.200000
Total energy: -208.595684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.595684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.595684 (E_RNA)
where:
Base-Base interactions energy: -138.443
where: short stacking energy: -67.528
Base-Backbone interact. energy: 0.372
local terms energy: -70.525223
where:
bonds (distance) C4'-P energy: -16.352
bonds (distance) P-C4' energy: -9.165
flat angles C4'-P-C4' energy: -17.649
flat angles P-C4'-P energy: -9.522
tors. eta vs tors. theta energy: -17.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 85
Temperature: 1.250000
Total energy: -136.477526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.477526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.477526 (E_RNA)
where:
Base-Base interactions energy: -72.547
where: short stacking energy: -39.725
Base-Backbone interact. energy: -0.198
local terms energy: -63.732556
where:
bonds (distance) C4'-P energy: -13.791
bonds (distance) P-C4' energy: -20.606
flat angles C4'-P-C4' energy: -14.733
flat angles P-C4'-P energy: -6.628
tors. eta vs tors. theta energy: -7.974
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 85
Temperature: 1.300000
Total energy: -98.052963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.052963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.052963 (E_RNA)
where:
Base-Base interactions energy: -37.105
where: short stacking energy: -24.211
Base-Backbone interact. energy: -0.046
local terms energy: -60.902297
where:
bonds (distance) C4'-P energy: -15.939
bonds (distance) P-C4' energy: -15.337
flat angles C4'-P-C4' energy: -13.148
flat angles P-C4'-P energy: -11.844
tors. eta vs tors. theta energy: -4.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 85
Temperature: 1.350000
Total energy: -80.376036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.376036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.376036 (E_RNA)
where:
Base-Base interactions energy: -29.894
where: short stacking energy: -24.034
Base-Backbone interact. energy: -0.326
local terms energy: -50.156381
where:
bonds (distance) C4'-P energy: -15.182
bonds (distance) P-C4' energy: -19.784
flat angles C4'-P-C4' energy: -6.387
flat angles P-C4'-P energy: -4.260
tors. eta vs tors. theta energy: -4.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 86
Temperature: 0.900000
Total energy: -297.776733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.776733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.776733 (E_RNA)
where:
Base-Base interactions energy: -201.134
where: short stacking energy: -86.890
Base-Backbone interact. energy: -1.656
local terms energy: -94.985944
where:
bonds (distance) C4'-P energy: -16.195
bonds (distance) P-C4' energy: -18.110
flat angles C4'-P-C4' energy: -19.060
flat angles P-C4'-P energy: -15.036
tors. eta vs tors. theta energy: -26.586
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: 2
=====================================
Write number: 86
Temperature: 0.950000
Total energy: -286.245317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.245317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.245317 (E_RNA)
where:
Base-Base interactions energy: -199.775
where: short stacking energy: -76.791
Base-Backbone interact. energy: -0.139
local terms energy: -86.330901
where:
bonds (distance) C4'-P energy: -14.764
bonds (distance) P-C4' energy: -21.172
flat angles C4'-P-C4' energy: -17.226
flat angles P-C4'-P energy: -12.209
tors. eta vs tors. theta energy: -20.961
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: 3, replica: 10
=====================================
Write number: 86
Temperature: 1.000000
Total energy: -283.346552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.346552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.346552 (E_RNA)
where:
Base-Base interactions energy: -193.826
where: short stacking energy: -85.760
Base-Backbone interact. energy: -0.146
local terms energy: -89.375280
where:
bonds (distance) C4'-P energy: -18.874
bonds (distance) P-C4' energy: -19.824
flat angles C4'-P-C4' energy: -13.385
flat angles P-C4'-P energy: -10.289
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: 4, replica: 6
=====================================
Write number: 86
Temperature: 1.050000
Total energy: -268.613182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.613182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.613182 (E_RNA)
where:
Base-Base interactions energy: -185.310
where: short stacking energy: -79.855
Base-Backbone interact. energy: -0.005
local terms energy: -83.298248
where:
bonds (distance) C4'-P energy: -18.394
bonds (distance) P-C4' energy: -7.575
flat angles C4'-P-C4' energy: -18.921
flat angles P-C4'-P energy: -14.879
tors. eta vs tors. theta energy: -23.530
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: 3
=====================================
Write number: 86
Temperature: 1.100000
Total energy: -263.622726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.622726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.622726 (E_RNA)
where:
Base-Base interactions energy: -191.532
where: short stacking energy: -77.050
Base-Backbone interact. energy: -0.064
local terms energy: -72.026435
where:
bonds (distance) C4'-P energy: -12.343
bonds (distance) P-C4' energy: -15.375
flat angles C4'-P-C4' energy: -15.139
flat angles P-C4'-P energy: -10.255
tors. eta vs tors. theta energy: -18.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 86
Temperature: 1.150000
Total energy: -200.246907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.246907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.246907 (E_RNA)
where:
Base-Base interactions energy: -126.098
where: short stacking energy: -51.118
Base-Backbone interact. energy: -0.199
local terms energy: -73.949697
where:
bonds (distance) C4'-P energy: -18.462
bonds (distance) P-C4' energy: -15.978
flat angles C4'-P-C4' energy: -19.693
flat angles P-C4'-P energy: -10.447
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: 7, replica: 5
=====================================
Write number: 86
Temperature: 1.200000
Total energy: -188.612217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.612217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.612217 (E_RNA)
where:
Base-Base interactions energy: -113.439
where: short stacking energy: -47.822
Base-Backbone interact. energy: -0.852
local terms energy: -74.321356
where:
bonds (distance) C4'-P energy: -17.191
bonds (distance) P-C4' energy: -18.069
flat angles C4'-P-C4' energy: -20.110
flat angles P-C4'-P energy: -9.669
tors. eta vs tors. theta energy: -9.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 86
Temperature: 1.250000
Total energy: -98.626799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.626799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.626799 (E_RNA)
where:
Base-Base interactions energy: -39.547
where: short stacking energy: -29.301
Base-Backbone interact. energy: -0.199
local terms energy: -58.881268
where:
bonds (distance) C4'-P energy: -14.551
bonds (distance) P-C4' energy: -17.893
flat angles C4'-P-C4' energy: -11.942
flat angles P-C4'-P energy: -8.305
tors. eta vs tors. theta energy: -6.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 86
Temperature: 1.300000
Total energy: -96.925938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.925938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.925938 (E_RNA)
where:
Base-Base interactions energy: -44.128
where: short stacking energy: -31.009
Base-Backbone interact. energy: -0.313
local terms energy: -52.484592
where:
bonds (distance) C4'-P energy: -16.213
bonds (distance) P-C4' energy: -15.101
flat angles C4'-P-C4' energy: -11.521
flat angles P-C4'-P energy: -10.460
tors. eta vs tors. theta energy: 0.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 86
Temperature: 1.350000
Total energy: -88.669801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.669801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.669801 (E_RNA)
where:
Base-Base interactions energy: -40.967
where: short stacking energy: -34.069
Base-Backbone interact. energy: -0.183
local terms energy: -47.519422
where:
bonds (distance) C4'-P energy: -15.502
bonds (distance) P-C4' energy: -13.439
flat angles C4'-P-C4' energy: -7.534
flat angles P-C4'-P energy: -8.574
tors. eta vs tors. theta energy: -2.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 87
Temperature: 0.900000
Total energy: -289.409719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.409719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.409719 (E_RNA)
where:
Base-Base interactions energy: -195.731
where: short stacking energy: -72.661
Base-Backbone interact. energy: -0.036
local terms energy: -93.642810
where:
bonds (distance) C4'-P energy: -18.224
bonds (distance) P-C4' energy: -18.640
flat angles C4'-P-C4' energy: -20.278
flat angles P-C4'-P energy: -14.369
tors. eta vs tors. theta energy: -22.132
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: 2
=====================================
Write number: 87
Temperature: 0.950000
Total energy: -279.551237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.551237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.551237 (E_RNA)
where:
Base-Base interactions energy: -192.007
where: short stacking energy: -69.367
Base-Backbone interact. energy: -0.156
local terms energy: -87.388112
where:
bonds (distance) C4'-P energy: -18.319
bonds (distance) P-C4' energy: -20.521
flat angles C4'-P-C4' energy: -15.469
flat angles P-C4'-P energy: -12.994
tors. eta vs tors. theta energy: -20.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 87
Temperature: 1.000000
Total energy: -279.628759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.628759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.628759 (E_RNA)
where:
Base-Base interactions energy: -191.077
where: short stacking energy: -81.086
Base-Backbone interact. energy: -0.006
local terms energy: -88.546333
where:
bonds (distance) C4'-P energy: -15.950
bonds (distance) P-C4' energy: -17.399
flat angles C4'-P-C4' energy: -16.217
flat angles P-C4'-P energy: -13.120
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: 4, replica: 6
=====================================
Write number: 87
Temperature: 1.050000
Total energy: -269.094999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.094999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.094999 (E_RNA)
where:
Base-Base interactions energy: -184.900
where: short stacking energy: -72.592
Base-Backbone interact. energy: -0.072
local terms energy: -84.122273
where:
bonds (distance) C4'-P energy: -12.002
bonds (distance) P-C4' energy: -18.867
flat angles C4'-P-C4' energy: -18.678
flat angles P-C4'-P energy: -12.120
tors. eta vs tors. theta energy: -22.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 87
Temperature: 1.100000
Total energy: -262.012026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.012026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.012026 (E_RNA)
where:
Base-Base interactions energy: -178.795
where: short stacking energy: -74.864
Base-Backbone interact. energy: -0.015
local terms energy: -83.202045
where:
bonds (distance) C4'-P energy: -15.258
bonds (distance) P-C4' energy: -16.236
flat angles C4'-P-C4' energy: -15.597
flat angles P-C4'-P energy: -14.076
tors. eta vs tors. theta energy: -22.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 87
Temperature: 1.150000
Total energy: -199.795164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.795164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.795164 (E_RNA)
where:
Base-Base interactions energy: -125.088
where: short stacking energy: -55.821
Base-Backbone interact. energy: 0.058
local terms energy: -74.765408
where:
bonds (distance) C4'-P energy: -12.570
bonds (distance) P-C4' energy: -19.094
flat angles C4'-P-C4' energy: -18.752
flat angles P-C4'-P energy: -12.271
tors. eta vs tors. theta energy: -12.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 87
Temperature: 1.200000
Total energy: -187.214405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.214405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.214405 (E_RNA)
where:
Base-Base interactions energy: -122.036
where: short stacking energy: -46.026
Base-Backbone interact. energy: -0.197
local terms energy: -64.981492
where:
bonds (distance) C4'-P energy: -13.461
bonds (distance) P-C4' energy: -17.352
flat angles C4'-P-C4' energy: -15.379
flat angles P-C4'-P energy: -9.733
tors. eta vs tors. theta energy: -9.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 87
Temperature: 1.250000
Total energy: -113.596935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.596935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.596935 (E_RNA)
where:
Base-Base interactions energy: -48.537
where: short stacking energy: -13.551
Base-Backbone interact. energy: -0.583
local terms energy: -64.477441
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -16.400
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -14.770
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: 9, replica: 1
=====================================
Write number: 87
Temperature: 1.300000
Total energy: -89.331522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.331522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.331522 (E_RNA)
where:
Base-Base interactions energy: -39.962
where: short stacking energy: -34.717
Base-Backbone interact. energy: 0.835
local terms energy: -50.204197
where:
bonds (distance) C4'-P energy: -10.860
bonds (distance) P-C4' energy: -18.783
flat angles C4'-P-C4' energy: -17.291
flat angles P-C4'-P energy: -3.268
tors. eta vs tors. theta energy: -0.002
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 87
Temperature: 1.350000
Total energy: -96.729173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.729173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.729173 (E_RNA)
where:
Base-Base interactions energy: -35.047
where: short stacking energy: -33.763
Base-Backbone interact. energy: -0.030
local terms energy: -61.651757
where:
bonds (distance) C4'-P energy: -18.026
bonds (distance) P-C4' energy: -12.595
flat angles C4'-P-C4' energy: -17.848
flat angles P-C4'-P energy: -11.758
tors. eta vs tors. theta energy: -1.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 88
Temperature: 0.900000
Total energy: -287.604304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.604304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.604304 (E_RNA)
where:
Base-Base interactions energy: -197.457
where: short stacking energy: -83.835
Base-Backbone interact. energy: -0.044
local terms energy: -90.103155
where:
bonds (distance) C4'-P energy: -16.789
bonds (distance) P-C4' energy: -17.356
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -13.824
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: 2, replica: 2
=====================================
Write number: 88
Temperature: 0.950000
Total energy: -290.507712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.507712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.507712 (E_RNA)
where:
Base-Base interactions energy: -193.311
where: short stacking energy: -84.886
Base-Backbone interact. energy: -0.961
local terms energy: -96.235083
where:
bonds (distance) C4'-P energy: -17.583
bonds (distance) P-C4' energy: -19.312
flat angles C4'-P-C4' energy: -17.978
flat angles P-C4'-P energy: -16.032
tors. eta vs tors. theta energy: -25.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 88
Temperature: 1.000000
Total energy: -278.839086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.839086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.839086 (E_RNA)
where:
Base-Base interactions energy: -185.324
where: short stacking energy: -73.478
Base-Backbone interact. energy: 0.028
local terms energy: -93.542780
where:
bonds (distance) C4'-P energy: -18.473
bonds (distance) P-C4' energy: -20.538
flat angles C4'-P-C4' energy: -15.621
flat angles P-C4'-P energy: -13.481
tors. eta vs tors. theta energy: -25.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 88
Temperature: 1.050000
Total energy: -273.436896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.436896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.436896 (E_RNA)
where:
Base-Base interactions energy: -178.942
where: short stacking energy: -74.377
Base-Backbone interact. energy: -0.091
local terms energy: -94.403972
where:
bonds (distance) C4'-P energy: -16.023
bonds (distance) P-C4' energy: -18.082
flat angles C4'-P-C4' energy: -20.042
flat angles P-C4'-P energy: -17.528
tors. eta vs tors. theta energy: -22.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 88
Temperature: 1.100000
Total energy: -264.237911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.237911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.237911 (E_RNA)
where:
Base-Base interactions energy: -171.727
where: short stacking energy: -71.247
Base-Backbone interact. energy: -0.598
local terms energy: -91.912562
where:
bonds (distance) C4'-P energy: -18.755
bonds (distance) P-C4' energy: -19.778
flat angles C4'-P-C4' energy: -18.565
flat angles P-C4'-P energy: -14.116
tors. eta vs tors. theta energy: -20.700
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: 6, replica: 4
=====================================
Write number: 88
Temperature: 1.150000
Total energy: -209.269642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.269642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.269642 (E_RNA)
where:
Base-Base interactions energy: -134.698
where: short stacking energy: -49.701
Base-Backbone interact. energy: -1.441
local terms energy: -73.130652
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -19.517
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -10.867
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: 9
=====================================
Write number: 88
Temperature: 1.200000
Total energy: -97.008110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.008110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.008110 (E_RNA)
where:
Base-Base interactions energy: -37.788
where: short stacking energy: -32.369
Base-Backbone interact. energy: -0.133
local terms energy: -59.087894
where:
bonds (distance) C4'-P energy: -19.141
bonds (distance) P-C4' energy: -19.417
flat angles C4'-P-C4' energy: -12.925
flat angles P-C4'-P energy: -2.002
tors. eta vs tors. theta energy: -5.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 88
Temperature: 1.250000
Total energy: -185.857418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.857418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.857418 (E_RNA)
where:
Base-Base interactions energy: -112.938
where: short stacking energy: -58.359
Base-Backbone interact. energy: -0.118
local terms energy: -72.801352
where:
bonds (distance) C4'-P energy: -16.772
bonds (distance) P-C4' energy: -18.678
flat angles C4'-P-C4' energy: -13.956
flat angles P-C4'-P energy: -8.251
tors. eta vs tors. theta energy: -15.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 88
Temperature: 1.300000
Total energy: -96.874508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.874508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.874508 (E_RNA)
where:
Base-Base interactions energy: -32.741
where: short stacking energy: -30.095
Base-Backbone interact. energy: -0.116
local terms energy: -64.017014
where:
bonds (distance) C4'-P energy: -19.322
bonds (distance) P-C4' energy: -18.625
flat angles C4'-P-C4' energy: -15.171
flat angles P-C4'-P energy: -9.605
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: 10, replica: 1
=====================================
Write number: 88
Temperature: 1.350000
Total energy: -80.789359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.789359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.789359 (E_RNA)
where:
Base-Base interactions energy: -38.056
where: short stacking energy: -20.761
Base-Backbone interact. energy: -1.889
local terms energy: -40.843715
where:
bonds (distance) C4'-P energy: -17.704
bonds (distance) P-C4' energy: -10.171
flat angles C4'-P-C4' energy: -14.792
flat angles P-C4'-P energy: -3.110
tors. eta vs tors. theta energy: 4.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 89
Temperature: 0.900000
Total energy: -288.062636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.062636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.062636 (E_RNA)
where:
Base-Base interactions energy: -200.517
where: short stacking energy: -82.008
Base-Backbone interact. energy: -0.038
local terms energy: -87.507782
where:
bonds (distance) C4'-P energy: -13.723
bonds (distance) P-C4' energy: -16.772
flat angles C4'-P-C4' energy: -20.110
flat angles P-C4'-P energy: -11.688
tors. eta vs tors. theta energy: -25.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 89
Temperature: 0.950000
Total energy: -280.247464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.247464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.247464 (E_RNA)
where:
Base-Base interactions energy: -187.634
where: short stacking energy: -72.914
Base-Backbone interact. energy: -0.272
local terms energy: -92.341336
where:
bonds (distance) C4'-P energy: -18.957
bonds (distance) P-C4' energy: -17.830
flat angles C4'-P-C4' energy: -17.837
flat angles P-C4'-P energy: -13.796
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: 6
=====================================
Write number: 89
Temperature: 1.000000
Total energy: -280.254763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.254763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.254763 (E_RNA)
where:
Base-Base interactions energy: -189.027
where: short stacking energy: -79.965
Base-Backbone interact. energy: -0.386
local terms energy: -90.841194
where:
bonds (distance) C4'-P energy: -13.770
bonds (distance) P-C4' energy: -18.507
flat angles C4'-P-C4' energy: -16.837
flat angles P-C4'-P energy: -16.045
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: 4, replica: 10
=====================================
Write number: 89
Temperature: 1.050000
Total energy: -275.558891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.558891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.558891 (E_RNA)
where:
Base-Base interactions energy: -189.279
where: short stacking energy: -73.926
Base-Backbone interact. energy: -0.737
local terms energy: -85.543298
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -19.992
flat angles C4'-P-C4' energy: -15.817
flat angles P-C4'-P energy: -17.712
tors. eta vs tors. theta energy: -18.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 89
Temperature: 1.100000
Total energy: -266.038486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.038486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.038486 (E_RNA)
where:
Base-Base interactions energy: -177.587
where: short stacking energy: -74.307
Base-Backbone interact. energy: -0.001
local terms energy: -88.450028
where:
bonds (distance) C4'-P energy: -18.304
bonds (distance) P-C4' energy: -22.223
flat angles C4'-P-C4' energy: -15.560
flat angles P-C4'-P energy: -9.980
tors. eta vs tors. theta energy: -22.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 89
Temperature: 1.150000
Total energy: -218.731402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.731402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.731402 (E_RNA)
where:
Base-Base interactions energy: -154.318
where: short stacking energy: -68.572
Base-Backbone interact. energy: -0.191
local terms energy: -64.221911
where:
bonds (distance) C4'-P energy: -8.594
bonds (distance) P-C4' energy: -14.449
flat angles C4'-P-C4' energy: -16.818
flat angles P-C4'-P energy: -8.435
tors. eta vs tors. theta energy: -15.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 89
Temperature: 1.200000
Total energy: -106.134271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.134271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.134271 (E_RNA)
where:
Base-Base interactions energy: -53.899
where: short stacking energy: -23.261
Base-Backbone interact. energy: -0.377
local terms energy: -51.858518
where:
bonds (distance) C4'-P energy: -16.429
bonds (distance) P-C4' energy: -8.450
flat angles C4'-P-C4' energy: -14.511
flat angles P-C4'-P energy: -11.225
tors. eta vs tors. theta energy: -1.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 89
Temperature: 1.250000
Total energy: -176.742200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.742200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.742200 (E_RNA)
where:
Base-Base interactions energy: -109.670
where: short stacking energy: -47.751
Base-Backbone interact. energy: 0.145
local terms energy: -67.217761
where:
bonds (distance) C4'-P energy: -5.680
bonds (distance) P-C4' energy: -18.399
flat angles C4'-P-C4' energy: -19.615
flat angles P-C4'-P energy: -10.887
tors. eta vs tors. theta energy: -12.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 89
Temperature: 1.300000
Total energy: -92.875384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.875384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.875384 (E_RNA)
where:
Base-Base interactions energy: -26.873
where: short stacking energy: -25.881
Base-Backbone interact. energy: -0.302
local terms energy: -65.700902
where:
bonds (distance) C4'-P energy: -17.596
bonds (distance) P-C4' energy: -17.771
flat angles C4'-P-C4' energy: -17.217
flat angles P-C4'-P energy: -8.798
tors. eta vs tors. theta energy: -4.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 89
Temperature: 1.350000
Total energy: -90.368306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.368306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.368306 (E_RNA)
where:
Base-Base interactions energy: -41.058
where: short stacking energy: -16.689
Base-Backbone interact. energy: -0.381
local terms energy: -48.928753
where:
bonds (distance) C4'-P energy: -16.925
bonds (distance) P-C4' energy: -15.741
flat angles C4'-P-C4' energy: -9.856
flat angles P-C4'-P energy: -9.616
tors. eta vs tors. theta energy: 3.210
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 90
Temperature: 0.900000
Total energy: -281.914032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.914032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.914032 (E_RNA)
where:
Base-Base interactions energy: -189.059
where: short stacking energy: -74.158
Base-Backbone interact. energy: -0.132
local terms energy: -92.722192
where:
bonds (distance) C4'-P energy: -17.321
bonds (distance) P-C4' energy: -17.761
flat angles C4'-P-C4' energy: -18.565
flat angles P-C4'-P energy: -15.502
tors. eta vs tors. theta energy: -23.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 90
Temperature: 0.950000
Total energy: -279.992615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.992615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.992615 (E_RNA)
where:
Base-Base interactions energy: -184.654
where: short stacking energy: -81.180
Base-Backbone interact. energy: -0.563
local terms energy: -94.775271
where:
bonds (distance) C4'-P energy: -14.855
bonds (distance) P-C4' energy: -17.844
flat angles C4'-P-C4' energy: -21.138
flat angles P-C4'-P energy: -13.061
tors. eta vs tors. theta energy: -27.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 90
Temperature: 1.000000
Total energy: -276.113249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.113249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.113249 (E_RNA)
where:
Base-Base interactions energy: -181.089
where: short stacking energy: -73.958
Base-Backbone interact. energy: -0.893
local terms energy: -94.131914
where:
bonds (distance) C4'-P energy: -21.710
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -16.018
flat angles P-C4'-P energy: -15.619
tors. eta vs tors. theta energy: -23.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 90
Temperature: 1.050000
Total energy: -271.237442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.237442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.237442 (E_RNA)
where:
Base-Base interactions energy: -186.154
where: short stacking energy: -73.511
Base-Backbone interact. energy: -0.071
local terms energy: -85.012352
where:
bonds (distance) C4'-P energy: -11.784
bonds (distance) P-C4' energy: -18.506
flat angles C4'-P-C4' energy: -19.361
flat angles P-C4'-P energy: -11.995
tors. eta vs tors. theta energy: -23.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 90
Temperature: 1.100000
Total energy: -260.407071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.407071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.407071 (E_RNA)
where:
Base-Base interactions energy: -180.529
where: short stacking energy: -72.187
Base-Backbone interact. energy: -0.629
local terms energy: -79.249581
where:
bonds (distance) C4'-P energy: -15.782
bonds (distance) P-C4' energy: -15.593
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -12.236
tors. eta vs tors. theta energy: -18.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 90
Temperature: 1.150000
Total energy: -217.334969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.334969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.334969 (E_RNA)
where:
Base-Base interactions energy: -145.201
where: short stacking energy: -58.692
Base-Backbone interact. energy: -1.818
local terms energy: -70.316332
where:
bonds (distance) C4'-P energy: -17.430
bonds (distance) P-C4' energy: -13.795
flat angles C4'-P-C4' energy: -17.274
flat angles P-C4'-P energy: -8.656
tors. eta vs tors. theta energy: -13.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 90
Temperature: 1.200000
Total energy: -161.253045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.253045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.253045 (E_RNA)
where:
Base-Base interactions energy: -98.574
where: short stacking energy: -35.816
Base-Backbone interact. energy: -0.438
local terms energy: -62.241126
where:
bonds (distance) C4'-P energy: -16.487
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -13.567
flat angles P-C4'-P energy: -9.740
tors. eta vs tors. theta energy: -6.003
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: 8, replica: 9
=====================================
Write number: 90
Temperature: 1.250000
Total energy: -108.312198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.312198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.312198 (E_RNA)
where:
Base-Base interactions energy: -43.629
where: short stacking energy: -38.104
Base-Backbone interact. energy: -0.170
local terms energy: -64.513241
where:
bonds (distance) C4'-P energy: -17.117
bonds (distance) P-C4' energy: -16.116
flat angles C4'-P-C4' energy: -14.063
flat angles P-C4'-P energy: -7.482
tors. eta vs tors. theta energy: -9.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 90
Temperature: 1.300000
Total energy: -98.387081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.387081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.387081 (E_RNA)
where:
Base-Base interactions energy: -34.758
where: short stacking energy: -34.601
Base-Backbone interact. energy: -0.016
local terms energy: -63.612822
where:
bonds (distance) C4'-P energy: -12.280
bonds (distance) P-C4' energy: -21.479
flat angles C4'-P-C4' energy: -13.656
flat angles P-C4'-P energy: -11.131
tors. eta vs tors. theta energy: -5.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 90
Temperature: 1.350000
Total energy: -105.603928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.603928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.603928 (E_RNA)
where:
Base-Base interactions energy: -43.850
where: short stacking energy: -43.850
Base-Backbone interact. energy: -0.132
local terms energy: -61.622122
where:
bonds (distance) C4'-P energy: -14.988
bonds (distance) P-C4' energy: -16.957
flat angles C4'-P-C4' energy: -10.221
flat angles P-C4'-P energy: -9.987
tors. eta vs tors. theta energy: -9.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 91
Temperature: 0.900000
Total energy: -292.547363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.547363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.547363 (E_RNA)
where:
Base-Base interactions energy: -194.177
where: short stacking energy: -90.483
Base-Backbone interact. energy: -0.201
local terms energy: -98.169249
where:
bonds (distance) C4'-P energy: -19.289
bonds (distance) P-C4' energy: -20.637
flat angles C4'-P-C4' energy: -20.832
flat angles P-C4'-P energy: -11.715
tors. eta vs tors. theta energy: -25.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 91
Temperature: 0.950000
Total energy: -287.167868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.167868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.167868 (E_RNA)
where:
Base-Base interactions energy: -193.101
where: short stacking energy: -84.202
Base-Backbone interact. energy: -0.280
local terms energy: -93.786907
where:
bonds (distance) C4'-P energy: -19.429
bonds (distance) P-C4' energy: -15.573
flat angles C4'-P-C4' energy: -18.201
flat angles P-C4'-P energy: -13.114
tors. eta vs tors. theta energy: -27.469
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: 7
=====================================
Write number: 91
Temperature: 1.000000
Total energy: -281.136857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.136857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.136857 (E_RNA)
where:
Base-Base interactions energy: -194.294
where: short stacking energy: -76.578
Base-Backbone interact. energy: -1.823
local terms energy: -85.019868
where:
bonds (distance) C4'-P energy: -14.636
bonds (distance) P-C4' energy: -16.417
flat angles C4'-P-C4' energy: -17.955
flat angles P-C4'-P energy: -11.491
tors. eta vs tors. theta energy: -24.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 91
Temperature: 1.050000
Total energy: -275.360334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.360334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.360334 (E_RNA)
where:
Base-Base interactions energy: -187.453
where: short stacking energy: -80.471
Base-Backbone interact. energy: -0.006
local terms energy: -87.901250
where:
bonds (distance) C4'-P energy: -14.624
bonds (distance) P-C4' energy: -19.819
flat angles C4'-P-C4' energy: -16.008
flat angles P-C4'-P energy: -11.669
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: 5, replica: 3
=====================================
Write number: 91
Temperature: 1.100000
Total energy: -272.647773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.647773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.647773 (E_RNA)
where:
Base-Base interactions energy: -191.975
where: short stacking energy: -81.440
Base-Backbone interact. energy: -2.181
local terms energy: -78.492069
where:
bonds (distance) C4'-P energy: -14.608
bonds (distance) P-C4' energy: -17.615
flat angles C4'-P-C4' energy: -17.650
flat angles P-C4'-P energy: -6.618
tors. eta vs tors. theta energy: -22.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 91
Temperature: 1.150000
Total energy: -209.959394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.959394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.959394 (E_RNA)
where:
Base-Base interactions energy: -133.028
where: short stacking energy: -53.682
Base-Backbone interact. energy: -0.241
local terms energy: -76.690253
where:
bonds (distance) C4'-P energy: -17.620
bonds (distance) P-C4' energy: -17.410
flat angles C4'-P-C4' energy: -18.822
flat angles P-C4'-P energy: -8.204
tors. eta vs tors. theta energy: -14.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 91
Temperature: 1.200000
Total energy: -173.566356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.566356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.566356 (E_RNA)
where:
Base-Base interactions energy: -103.552
where: short stacking energy: -40.874
Base-Backbone interact. energy: -0.329
local terms energy: -69.685027
where:
bonds (distance) C4'-P energy: -12.289
bonds (distance) P-C4' energy: -17.007
flat angles C4'-P-C4' energy: -16.795
flat angles P-C4'-P energy: -14.910
tors. eta vs tors. theta energy: -8.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 91
Temperature: 1.250000
Total energy: -91.606879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.606879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.606879 (E_RNA)
where:
Base-Base interactions energy: -27.997
where: short stacking energy: -26.497
Base-Backbone interact. energy: -1.360
local terms energy: -62.249661
where:
bonds (distance) C4'-P energy: -14.548
bonds (distance) P-C4' energy: -17.186
flat angles C4'-P-C4' energy: -16.883
flat angles P-C4'-P energy: -11.660
tors. eta vs tors. theta energy: -1.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 91
Temperature: 1.300000
Total energy: -87.230165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.230165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.230165 (E_RNA)
where:
Base-Base interactions energy: -40.780
where: short stacking energy: -37.622
Base-Backbone interact. energy: -0.077
local terms energy: -46.373558
where:
bonds (distance) C4'-P energy: -13.115
bonds (distance) P-C4' energy: -12.579
flat angles C4'-P-C4' energy: -11.266
flat angles P-C4'-P energy: -9.616
tors. eta vs tors. theta energy: 0.203
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 91
Temperature: 1.350000
Total energy: -87.385414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.385414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.385414 (E_RNA)
where:
Base-Base interactions energy: -27.131
where: short stacking energy: -22.792
Base-Backbone interact. energy: -2.340
local terms energy: -57.914462
where:
bonds (distance) C4'-P energy: -13.583
bonds (distance) P-C4' energy: -18.181
flat angles C4'-P-C4' energy: -15.117
flat angles P-C4'-P energy: -9.933
tors. eta vs tors. theta energy: -1.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 92
Temperature: 0.900000
Total energy: -289.672242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.672242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.672242 (E_RNA)
where:
Base-Base interactions energy: -199.759
where: short stacking energy: -84.182
Base-Backbone interact. energy: -0.010
local terms energy: -89.902541
where:
bonds (distance) C4'-P energy: -17.170
bonds (distance) P-C4' energy: -16.806
flat angles C4'-P-C4' energy: -18.857
flat angles P-C4'-P energy: -11.430
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: 2, replica: 2
=====================================
Write number: 92
Temperature: 0.950000
Total energy: -285.048002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.048002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.048002 (E_RNA)
where:
Base-Base interactions energy: -194.430
where: short stacking energy: -76.294
Base-Backbone interact. energy: -0.196
local terms energy: -90.421850
where:
bonds (distance) C4'-P energy: -14.333
bonds (distance) P-C4' energy: -20.501
flat angles C4'-P-C4' energy: -15.916
flat angles P-C4'-P energy: -13.509
tors. eta vs tors. theta energy: -26.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 92
Temperature: 1.000000
Total energy: -279.508110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.508110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.508110 (E_RNA)
where:
Base-Base interactions energy: -186.491
where: short stacking energy: -75.427
Base-Backbone interact. energy: -2.115
local terms energy: -90.902282
where:
bonds (distance) C4'-P energy: -18.361
bonds (distance) P-C4' energy: -19.053
flat angles C4'-P-C4' energy: -17.884
flat angles P-C4'-P energy: -12.475
tors. eta vs tors. theta energy: -23.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 92
Temperature: 1.050000
Total energy: -277.824664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.824664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.824664 (E_RNA)
where:
Base-Base interactions energy: -190.302
where: short stacking energy: -79.865
Base-Backbone interact. energy: -0.006
local terms energy: -87.515697
where:
bonds (distance) C4'-P energy: -14.093
bonds (distance) P-C4' energy: -18.477
flat angles C4'-P-C4' energy: -18.343
flat angles P-C4'-P energy: -9.732
tors. eta vs tors. theta energy: -26.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 92
Temperature: 1.100000
Total energy: -265.212467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.212467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.212467 (E_RNA)
where:
Base-Base interactions energy: -180.492
where: short stacking energy: -63.644
Base-Backbone interact. energy: -1.187
local terms energy: -83.533600
where:
bonds (distance) C4'-P energy: -16.313
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -19.504
flat angles P-C4'-P energy: -11.726
tors. eta vs tors. theta energy: -19.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 92
Temperature: 1.150000
Total energy: -212.684110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.684110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.684110 (E_RNA)
where:
Base-Base interactions energy: -132.646
where: short stacking energy: -65.143
Base-Backbone interact. energy: -0.070
local terms energy: -79.967804
where:
bonds (distance) C4'-P energy: -17.812
bonds (distance) P-C4' energy: -18.471
flat angles C4'-P-C4' energy: -16.344
flat angles P-C4'-P energy: -12.310
tors. eta vs tors. theta energy: -15.031
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: 5
=====================================
Write number: 92
Temperature: 1.200000
Total energy: -172.942227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.942227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.942227 (E_RNA)
where:
Base-Base interactions energy: -102.349
where: short stacking energy: -56.387
Base-Backbone interact. energy: -0.095
local terms energy: -70.497532
where:
bonds (distance) C4'-P energy: -10.641
bonds (distance) P-C4' energy: -18.170
flat angles C4'-P-C4' energy: -13.475
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -17.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 92
Temperature: 1.250000
Total energy: -147.401995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.401995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.401995 (E_RNA)
where:
Base-Base interactions energy: -81.032
where: short stacking energy: -42.042
Base-Backbone interact. energy: -0.312
local terms energy: -66.057342
where:
bonds (distance) C4'-P energy: -9.472
bonds (distance) P-C4' energy: -18.344
flat angles C4'-P-C4' energy: -17.387
flat angles P-C4'-P energy: -9.857
tors. eta vs tors. theta energy: -10.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 92
Temperature: 1.300000
Total energy: -99.198969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.198969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.198969 (E_RNA)
where:
Base-Base interactions energy: -40.454
where: short stacking energy: -40.454
Base-Backbone interact. energy: -0.403
local terms energy: -58.342368
where:
bonds (distance) C4'-P energy: -16.497
bonds (distance) P-C4' energy: -16.114
flat angles C4'-P-C4' energy: -12.618
flat angles P-C4'-P energy: -7.268
tors. eta vs tors. theta energy: -5.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 92
Temperature: 1.350000
Total energy: -81.078752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.078752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.078752 (E_RNA)
where:
Base-Base interactions energy: -20.601
where: short stacking energy: -18.837
Base-Backbone interact. energy: -0.150
local terms energy: -60.328131
where:
bonds (distance) C4'-P energy: -15.888
bonds (distance) P-C4' energy: -16.306
flat angles C4'-P-C4' energy: -13.489
flat angles P-C4'-P energy: -12.846
tors. eta vs tors. theta energy: -1.799
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: 10
=====================================
Write number: 93
Temperature: 0.900000
Total energy: -287.610274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.610274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.610274 (E_RNA)
where:
Base-Base interactions energy: -197.799
where: short stacking energy: -82.061
Base-Backbone interact. energy: -1.398
local terms energy: -88.414074
where:
bonds (distance) C4'-P energy: -18.950
bonds (distance) P-C4' energy: -13.958
flat angles C4'-P-C4' energy: -18.896
flat angles P-C4'-P energy: -13.014
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: 2, replica: 2
=====================================
Write number: 93
Temperature: 0.950000
Total energy: -287.903783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.903783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.903783 (E_RNA)
where:
Base-Base interactions energy: -201.214
where: short stacking energy: -81.533
Base-Backbone interact. energy: -0.594
local terms energy: -86.095956
where:
bonds (distance) C4'-P energy: -16.607
bonds (distance) P-C4' energy: -15.975
flat angles C4'-P-C4' energy: -18.702
flat angles P-C4'-P energy: -7.906
tors. eta vs tors. theta energy: -26.906
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: 7
=====================================
Write number: 93
Temperature: 1.000000
Total energy: -279.093901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.093901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.093901 (E_RNA)
where:
Base-Base interactions energy: -195.387
where: short stacking energy: -81.528
Base-Backbone interact. energy: -0.121
local terms energy: -83.585492
where:
bonds (distance) C4'-P energy: -15.737
bonds (distance) P-C4' energy: -20.634
flat angles C4'-P-C4' energy: -12.950
flat angles P-C4'-P energy: -9.285
tors. eta vs tors. theta energy: -24.979
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: 4, replica: 3
=====================================
Write number: 93
Temperature: 1.050000
Total energy: -278.922323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.922323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.922323 (E_RNA)
where:
Base-Base interactions energy: -194.256
where: short stacking energy: -79.064
Base-Backbone interact. energy: -0.145
local terms energy: -84.521214
where:
bonds (distance) C4'-P energy: -13.997
bonds (distance) P-C4' energy: -18.353
flat angles C4'-P-C4' energy: -17.602
flat angles P-C4'-P energy: -6.786
tors. eta vs tors. theta energy: -27.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 93
Temperature: 1.100000
Total energy: -251.873777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.873777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.873777 (E_RNA)
where:
Base-Base interactions energy: -165.168
where: short stacking energy: -77.536
Base-Backbone interact. energy: -0.029
local terms energy: -86.677298
where:
bonds (distance) C4'-P energy: -13.076
bonds (distance) P-C4' energy: -19.217
flat angles C4'-P-C4' energy: -19.427
flat angles P-C4'-P energy: -11.974
tors. eta vs tors. theta energy: -22.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 93
Temperature: 1.150000
Total energy: -210.026823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.026823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.026823 (E_RNA)
where:
Base-Base interactions energy: -135.233
where: short stacking energy: -55.907
Base-Backbone interact. energy: -0.760
local terms energy: -74.033501
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -15.909
flat angles C4'-P-C4' energy: -17.042
flat angles P-C4'-P energy: -13.072
tors. eta vs tors. theta energy: -12.012
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: 93
Temperature: 1.200000
Total energy: -184.547083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.547083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.547083 (E_RNA)
where:
Base-Base interactions energy: -112.944
where: short stacking energy: -48.058
Base-Backbone interact. energy: -0.704
local terms energy: -70.899262
where:
bonds (distance) C4'-P energy: -15.215
bonds (distance) P-C4' energy: -20.281
flat angles C4'-P-C4' energy: -9.864
flat angles P-C4'-P energy: -13.349
tors. eta vs tors. theta energy: -12.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 93
Temperature: 1.250000
Total energy: -128.863496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.863496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.863496 (E_RNA)
where:
Base-Base interactions energy: -56.460
where: short stacking energy: -49.167
Base-Backbone interact. energy: 0.416
local terms energy: -72.819663
where:
bonds (distance) C4'-P energy: -15.032
bonds (distance) P-C4' energy: -18.069
flat angles C4'-P-C4' energy: -17.928
flat angles P-C4'-P energy: -8.506
tors. eta vs tors. theta energy: -13.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 93
Temperature: 1.300000
Total energy: -104.273379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.273379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.273379 (E_RNA)
where:
Base-Base interactions energy: -56.438
where: short stacking energy: -27.703
Base-Backbone interact. energy: 0.101
local terms energy: -47.936116
where:
bonds (distance) C4'-P energy: -16.264
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -11.323
flat angles P-C4'-P energy: -3.872
tors. eta vs tors. theta energy: -0.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 93
Temperature: 1.350000
Total energy: -84.112427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.112427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.112427 (E_RNA)
where:
Base-Base interactions energy: -29.675
where: short stacking energy: -22.702
Base-Backbone interact. energy: -0.667
local terms energy: -53.770155
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -12.048
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -13.144
tors. eta vs tors. theta energy: 2.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 94
Temperature: 0.900000
Total energy: -285.522664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.522664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.522664 (E_RNA)
where:
Base-Base interactions energy: -192.024
where: short stacking energy: -78.125
Base-Backbone interact. energy: -2.010
local terms energy: -91.488532
where:
bonds (distance) C4'-P energy: -18.084
bonds (distance) P-C4' energy: -18.438
flat angles C4'-P-C4' energy: -17.982
flat angles P-C4'-P energy: -11.117
tors. eta vs tors. theta energy: -25.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 94
Temperature: 0.950000
Total energy: -285.482409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.482409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.482409 (E_RNA)
where:
Base-Base interactions energy: -195.164
where: short stacking energy: -86.788
Base-Backbone interact. energy: -0.928
local terms energy: -89.390798
where:
bonds (distance) C4'-P energy: -14.809
bonds (distance) P-C4' energy: -18.315
flat angles C4'-P-C4' energy: -18.497
flat angles P-C4'-P energy: -12.013
tors. eta vs tors. theta energy: -25.756
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: 3
=====================================
Write number: 94
Temperature: 1.000000
Total energy: -281.897166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.897166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.897166 (E_RNA)
where:
Base-Base interactions energy: -187.600
where: short stacking energy: -73.782
Base-Backbone interact. energy: -0.001
local terms energy: -94.296101
where:
bonds (distance) C4'-P energy: -19.079
bonds (distance) P-C4' energy: -20.185
flat angles C4'-P-C4' energy: -18.937
flat angles P-C4'-P energy: -13.731
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: 4, replica: 7
=====================================
Write number: 94
Temperature: 1.050000
Total energy: -281.284442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.284442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.284442 (E_RNA)
where:
Base-Base interactions energy: -190.205
where: short stacking energy: -82.613
Base-Backbone interact. energy: 0.099
local terms energy: -91.178419
where:
bonds (distance) C4'-P energy: -13.979
bonds (distance) P-C4' energy: -15.996
flat angles C4'-P-C4' energy: -20.853
flat angles P-C4'-P energy: -15.697
tors. eta vs tors. theta energy: -24.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 94
Temperature: 1.100000
Total energy: -267.058896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.058896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.058896 (E_RNA)
where:
Base-Base interactions energy: -178.305
where: short stacking energy: -66.894
Base-Backbone interact. energy: -0.036
local terms energy: -88.717997
where:
bonds (distance) C4'-P energy: -14.987
bonds (distance) P-C4' energy: -18.330
flat angles C4'-P-C4' energy: -17.983
flat angles P-C4'-P energy: -13.270
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: 4
=====================================
Write number: 94
Temperature: 1.150000
Total energy: -207.230109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.230109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.230109 (E_RNA)
where:
Base-Base interactions energy: -135.484
where: short stacking energy: -63.988
Base-Backbone interact. energy: -0.321
local terms energy: -71.424877
where:
bonds (distance) C4'-P energy: -8.297
bonds (distance) P-C4' energy: -15.607
flat angles C4'-P-C4' energy: -18.129
flat angles P-C4'-P energy: -12.494
tors. eta vs tors. theta energy: -16.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 94
Temperature: 1.200000
Total energy: -169.994146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.994146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.994146 (E_RNA)
where:
Base-Base interactions energy: -101.898
where: short stacking energy: -49.006
Base-Backbone interact. energy: -2.501
local terms energy: -65.594782
where:
bonds (distance) C4'-P energy: -15.711
bonds (distance) P-C4' energy: -17.070
flat angles C4'-P-C4' energy: -15.530
flat angles P-C4'-P energy: -11.125
tors. eta vs tors. theta energy: -6.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 94
Temperature: 1.250000
Total energy: -97.824267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.824267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.824267 (E_RNA)
where:
Base-Base interactions energy: -38.902
where: short stacking energy: -24.683
Base-Backbone interact. energy: -0.424
local terms energy: -58.499164
where:
bonds (distance) C4'-P energy: -16.201
bonds (distance) P-C4' energy: -13.781
flat angles C4'-P-C4' energy: -13.222
flat angles P-C4'-P energy: -9.992
tors. eta vs tors. theta energy: -5.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 94
Temperature: 1.300000
Total energy: -78.707261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.707261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.707261 (E_RNA)
where:
Base-Base interactions energy: -29.014
where: short stacking energy: -14.213
Base-Backbone interact. energy: -0.347
local terms energy: -49.346308
where:
bonds (distance) C4'-P energy: -9.726
bonds (distance) P-C4' energy: -18.649
flat angles C4'-P-C4' energy: -14.426
flat angles P-C4'-P energy: -6.728
tors. eta vs tors. theta energy: 0.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 94
Temperature: 1.350000
Total energy: -87.143990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.143990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.143990 (E_RNA)
where:
Base-Base interactions energy: -38.738
where: short stacking energy: -17.713
Base-Backbone interact. energy: -0.141
local terms energy: -48.264399
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -5.641
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: 2
=====================================
Write number: 95
Temperature: 0.900000
Total energy: -292.471340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.471340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.471340 (E_RNA)
where:
Base-Base interactions energy: -203.819
where: short stacking energy: -77.779
Base-Backbone interact. energy: -1.414
local terms energy: -87.238139
where:
bonds (distance) C4'-P energy: -13.223
bonds (distance) P-C4' energy: -17.646
flat angles C4'-P-C4' energy: -18.410
flat angles P-C4'-P energy: -16.699
tors. eta vs tors. theta energy: -21.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 95
Temperature: 0.950000
Total energy: -288.786413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.786413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.786413 (E_RNA)
where:
Base-Base interactions energy: -193.513
where: short stacking energy: -80.561
Base-Backbone interact. energy: -1.076
local terms energy: -94.196928
where:
bonds (distance) C4'-P energy: -19.107
bonds (distance) P-C4' energy: -17.808
flat angles C4'-P-C4' energy: -19.346
flat angles P-C4'-P energy: -13.505
tors. eta vs tors. theta energy: -24.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 95
Temperature: 1.000000
Total energy: -276.240510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.240510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.240510 (E_RNA)
where:
Base-Base interactions energy: -183.567
where: short stacking energy: -80.337
Base-Backbone interact. energy: -0.560
local terms energy: -92.113594
where:
bonds (distance) C4'-P energy: -17.348
bonds (distance) P-C4' energy: -18.096
flat angles C4'-P-C4' energy: -16.826
flat angles P-C4'-P energy: -13.542
tors. eta vs tors. theta energy: -26.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 95
Temperature: 1.050000
Total energy: -272.912549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.912549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.912549 (E_RNA)
where:
Base-Base interactions energy: -189.233
where: short stacking energy: -74.233
Base-Backbone interact. energy: 1.867
local terms energy: -85.546389
where:
bonds (distance) C4'-P energy: -17.100
bonds (distance) P-C4' energy: -18.896
flat angles C4'-P-C4' energy: -21.049
flat angles P-C4'-P energy: -7.121
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: 5, replica: 7
=====================================
Write number: 95
Temperature: 1.100000
Total energy: -273.361179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.361179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.361179 (E_RNA)
where:
Base-Base interactions energy: -187.952
where: short stacking energy: -71.199
Base-Backbone interact. energy: -0.064
local terms energy: -85.345504
where:
bonds (distance) C4'-P energy: -15.513
bonds (distance) P-C4' energy: -15.521
flat angles C4'-P-C4' energy: -16.753
flat angles P-C4'-P energy: -14.132
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: 5
=====================================
Write number: 95
Temperature: 1.150000
Total energy: -188.490751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.490751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.490751 (E_RNA)
where:
Base-Base interactions energy: -119.597
where: short stacking energy: -55.589
Base-Backbone interact. energy: -2.306
local terms energy: -66.588110
where:
bonds (distance) C4'-P energy: -17.152
bonds (distance) P-C4' energy: -14.021
flat angles C4'-P-C4' energy: -14.712
flat angles P-C4'-P energy: -6.811
tors. eta vs tors. theta energy: -13.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 95
Temperature: 1.200000
Total energy: -213.303295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.303295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.303295 (E_RNA)
where:
Base-Base interactions energy: -129.786
where: short stacking energy: -64.624
Base-Backbone interact. energy: -0.076
local terms energy: -83.440702
where:
bonds (distance) C4'-P energy: -16.779
bonds (distance) P-C4' energy: -21.081
flat angles C4'-P-C4' energy: -18.592
flat angles P-C4'-P energy: -8.356
tors. eta vs tors. theta energy: -18.633
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: 8
=====================================
Write number: 95
Temperature: 1.250000
Total energy: -99.501153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.501153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.501153 (E_RNA)
where:
Base-Base interactions energy: -42.085
where: short stacking energy: -39.884
Base-Backbone interact. energy: -0.246
local terms energy: -57.169978
where:
bonds (distance) C4'-P energy: -17.737
bonds (distance) P-C4' energy: -14.892
flat angles C4'-P-C4' energy: -13.504
flat angles P-C4'-P energy: -8.821
tors. eta vs tors. theta energy: -2.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 95
Temperature: 1.300000
Total energy: -91.118920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.118920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.118920 (E_RNA)
where:
Base-Base interactions energy: -29.603
where: short stacking energy: -26.502
Base-Backbone interact. energy: -0.477
local terms energy: -61.038427
where:
bonds (distance) C4'-P energy: -14.424
bonds (distance) P-C4' energy: -18.573
flat angles C4'-P-C4' energy: -15.284
flat angles P-C4'-P energy: -8.362
tors. eta vs tors. theta energy: -4.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 95
Temperature: 1.350000
Total energy: -89.309237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.309237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.309237 (E_RNA)
where:
Base-Base interactions energy: -38.760
where: short stacking energy: -31.591
Base-Backbone interact. energy: -0.266
local terms energy: -50.283636
where:
bonds (distance) C4'-P energy: -15.501
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -12.278
flat angles P-C4'-P energy: -9.396
tors. eta vs tors. theta energy: 4.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 96
Temperature: 0.900000
Total energy: -289.582513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.582513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.582513 (E_RNA)
where:
Base-Base interactions energy: -191.279
where: short stacking energy: -75.549
Base-Backbone interact. energy: -0.145
local terms energy: -98.158889
where:
bonds (distance) C4'-P energy: -19.445
bonds (distance) P-C4' energy: -20.007
flat angles C4'-P-C4' energy: -18.570
flat angles P-C4'-P energy: -13.794
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: 3
=====================================
Write number: 96
Temperature: 0.950000
Total energy: -285.940451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.940451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.940451 (E_RNA)
where:
Base-Base interactions energy: -201.786
where: short stacking energy: -84.397
Base-Backbone interact. energy: -0.004
local terms energy: -84.150501
where:
bonds (distance) C4'-P energy: -16.696
bonds (distance) P-C4' energy: -13.541
flat angles C4'-P-C4' energy: -14.000
flat angles P-C4'-P energy: -11.366
tors. eta vs tors. theta energy: -28.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 96
Temperature: 1.000000
Total energy: -277.555929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.555929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.555929 (E_RNA)
where:
Base-Base interactions energy: -187.635
where: short stacking energy: -76.043
Base-Backbone interact. energy: -0.987
local terms energy: -88.934003
where:
bonds (distance) C4'-P energy: -16.354
bonds (distance) P-C4' energy: -20.637
flat angles C4'-P-C4' energy: -15.537
flat angles P-C4'-P energy: -12.807
tors. eta vs tors. theta energy: -23.598
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 96
Temperature: 1.050000
Total energy: -283.869783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.869783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.869783 (E_RNA)
where:
Base-Base interactions energy: -192.311
where: short stacking energy: -88.772
Base-Backbone interact. energy: -0.916
local terms energy: -90.643186
where:
bonds (distance) C4'-P energy: -15.050
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -19.453
flat angles P-C4'-P energy: -12.020
tors. eta vs tors. theta energy: -28.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 96
Temperature: 1.100000
Total energy: -278.420736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.420736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.420736 (E_RNA)
where:
Base-Base interactions energy: -185.914
where: short stacking energy: -78.314
Base-Backbone interact. energy: -0.043
local terms energy: -92.464483
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -13.372
flat angles C4'-P-C4' energy: -21.671
flat angles P-C4'-P energy: -14.588
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: 6, replica: 5
=====================================
Write number: 96
Temperature: 1.150000
Total energy: -193.470224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.470224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.470224 (E_RNA)
where:
Base-Base interactions energy: -115.300
where: short stacking energy: -57.418
Base-Backbone interact. energy: -0.011
local terms energy: -78.159644
where:
bonds (distance) C4'-P energy: -16.291
bonds (distance) P-C4' energy: -17.776
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -13.078
tors. eta vs tors. theta energy: -16.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 96
Temperature: 1.200000
Total energy: -256.970692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.970692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.970692 (E_RNA)
where:
Base-Base interactions energy: -173.616
where: short stacking energy: -74.344
Base-Backbone interact. energy: -0.003
local terms energy: -83.351772
where:
bonds (distance) C4'-P energy: -14.220
bonds (distance) P-C4' energy: -17.707
flat angles C4'-P-C4' energy: -19.368
flat angles P-C4'-P energy: -5.880
tors. eta vs tors. theta energy: -26.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 96
Temperature: 1.250000
Total energy: -116.746685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.746685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.746685 (E_RNA)
where:
Base-Base interactions energy: -58.851
where: short stacking energy: -32.364
Base-Backbone interact. energy: -0.404
local terms energy: -57.491706
where:
bonds (distance) C4'-P energy: -11.570
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -8.793
flat angles P-C4'-P energy: -10.558
tors. eta vs tors. theta energy: -7.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 96
Temperature: 1.300000
Total energy: -94.366128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.366128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.366128 (E_RNA)
where:
Base-Base interactions energy: -37.330
where: short stacking energy: -36.461
Base-Backbone interact. energy: -0.028
local terms energy: -57.008596
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -14.667
flat angles C4'-P-C4' energy: -13.623
flat angles P-C4'-P energy: -8.720
tors. eta vs tors. theta energy: -6.800
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: 1
=====================================
Write number: 96
Temperature: 1.350000
Total energy: -84.299735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.299735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.299735 (E_RNA)
where:
Base-Base interactions energy: -23.310
where: short stacking energy: -22.397
Base-Backbone interact. energy: -0.082
local terms energy: -60.907523
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -16.490
flat angles C4'-P-C4' energy: -17.101
flat angles P-C4'-P energy: -11.554
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: 2
=====================================
Write number: 97
Temperature: 0.900000
Total energy: -288.065483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.065483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.065483 (E_RNA)
where:
Base-Base interactions energy: -193.934
where: short stacking energy: -79.995
Base-Backbone interact. energy: -0.044
local terms energy: -94.086843
where:
bonds (distance) C4'-P energy: -19.461
bonds (distance) P-C4' energy: -19.340
flat angles C4'-P-C4' energy: -20.309
flat angles P-C4'-P energy: -9.089
tors. eta vs tors. theta energy: -25.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 97
Temperature: 0.950000
Total energy: -289.195056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.195056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.195056 (E_RNA)
where:
Base-Base interactions energy: -198.195
where: short stacking energy: -85.679
Base-Backbone interact. energy: -0.245
local terms energy: -90.755283
where:
bonds (distance) C4'-P energy: -20.697
bonds (distance) P-C4' energy: -18.457
flat angles C4'-P-C4' energy: -15.853
flat angles P-C4'-P energy: -10.261
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: 6
=====================================
Write number: 97
Temperature: 1.000000
Total energy: -273.295954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.295954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.295954 (E_RNA)
where:
Base-Base interactions energy: -189.041
where: short stacking energy: -74.985
Base-Backbone interact. energy: -1.484
local terms energy: -82.770644
where:
bonds (distance) C4'-P energy: -16.549
bonds (distance) P-C4' energy: -17.261
flat angles C4'-P-C4' energy: -13.667
flat angles P-C4'-P energy: -10.625
tors. eta vs tors. theta energy: -24.669
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: 7
=====================================
Write number: 97
Temperature: 1.050000
Total energy: -278.457987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.457987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.457987 (E_RNA)
where:
Base-Base interactions energy: -189.439
where: short stacking energy: -78.778
Base-Backbone interact. energy: -0.640
local terms energy: -88.379285
where:
bonds (distance) C4'-P energy: -13.328
bonds (distance) P-C4' energy: -21.299
flat angles C4'-P-C4' energy: -18.201
flat angles P-C4'-P energy: -12.112
tors. eta vs tors. theta energy: -23.438
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: 10
=====================================
Write number: 97
Temperature: 1.100000
Total energy: -279.032123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.032123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.032123 (E_RNA)
where:
Base-Base interactions energy: -194.982
where: short stacking energy: -79.810
Base-Backbone interact. energy: -0.065
local terms energy: -83.985153
where:
bonds (distance) C4'-P energy: -14.553
bonds (distance) P-C4' energy: -18.522
flat angles C4'-P-C4' energy: -18.923
flat angles P-C4'-P energy: -11.349
tors. eta vs tors. theta energy: -20.638
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: 4
=====================================
Write number: 97
Temperature: 1.150000
Total energy: -251.173889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.173889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.173889 (E_RNA)
where:
Base-Base interactions energy: -175.353
where: short stacking energy: -72.248
Base-Backbone interact. energy: -0.404
local terms energy: -75.416947
where:
bonds (distance) C4'-P energy: -14.656
bonds (distance) P-C4' energy: -17.353
flat angles C4'-P-C4' energy: -13.602
flat angles P-C4'-P energy: -8.195
tors. eta vs tors. theta energy: -21.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 97
Temperature: 1.200000
Total energy: -166.232982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.232982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.232982 (E_RNA)
where:
Base-Base interactions energy: -102.690
where: short stacking energy: -50.088
Base-Backbone interact. energy: 1.218
local terms energy: -64.760569
where:
bonds (distance) C4'-P energy: -16.958
bonds (distance) P-C4' energy: -15.294
flat angles C4'-P-C4' energy: -16.675
flat angles P-C4'-P energy: -10.976
tors. eta vs tors. theta energy: -4.858
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: 8, replica: 9
=====================================
Write number: 97
Temperature: 1.250000
Total energy: -97.196105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.196105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.196105 (E_RNA)
where:
Base-Base interactions energy: -37.613
where: short stacking energy: -37.520
Base-Backbone interact. energy: -0.109
local terms energy: -59.474349
where:
bonds (distance) C4'-P energy: -14.702
bonds (distance) P-C4' energy: -16.774
flat angles C4'-P-C4' energy: -17.132
flat angles P-C4'-P energy: -6.650
tors. eta vs tors. theta energy: -4.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 97
Temperature: 1.300000
Total energy: -86.848293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.848293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.848293 (E_RNA)
where:
Base-Base interactions energy: -29.285
where: short stacking energy: -29.285
Base-Backbone interact. energy: -0.358
local terms energy: -57.205129
where:
bonds (distance) C4'-P energy: -15.811
bonds (distance) P-C4' energy: -17.861
flat angles C4'-P-C4' energy: -16.276
flat angles P-C4'-P energy: -11.054
tors. eta vs tors. theta energy: 3.797
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: 1
=====================================
Write number: 97
Temperature: 1.350000
Total energy: -91.040220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.040220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.040220 (E_RNA)
where:
Base-Base interactions energy: -31.261
where: short stacking energy: -27.421
Base-Backbone interact. energy: -0.090
local terms energy: -59.689127
where:
bonds (distance) C4'-P energy: -15.895
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -16.863
flat angles P-C4'-P energy: -10.840
tors. eta vs tors. theta energy: -2.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 98
Temperature: 0.900000
Total energy: -290.206690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.206690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.206690 (E_RNA)
where:
Base-Base interactions energy: -203.298
where: short stacking energy: -75.949
Base-Backbone interact. energy: -0.511
local terms energy: -86.397732
where:
bonds (distance) C4'-P energy: -12.388
bonds (distance) P-C4' energy: -18.589
flat angles C4'-P-C4' energy: -19.495
flat angles P-C4'-P energy: -11.232
tors. eta vs tors. theta energy: -24.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 98
Temperature: 0.950000
Total energy: -277.833157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.833157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.833157 (E_RNA)
where:
Base-Base interactions energy: -185.192
where: short stacking energy: -76.737
Base-Backbone interact. energy: -0.755
local terms energy: -91.887094
where:
bonds (distance) C4'-P energy: -17.634
bonds (distance) P-C4' energy: -16.569
flat angles C4'-P-C4' energy: -18.096
flat angles P-C4'-P energy: -13.039
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: 3, replica: 7
=====================================
Write number: 98
Temperature: 1.000000
Total energy: -281.937654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.937654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.937654 (E_RNA)
where:
Base-Base interactions energy: -189.658
where: short stacking energy: -82.675
Base-Backbone interact. energy: -0.362
local terms energy: -91.917794
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -19.361
flat angles C4'-P-C4' energy: -18.968
flat angles P-C4'-P energy: -14.302
tors. eta vs tors. theta energy: -24.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 98
Temperature: 1.050000
Total energy: -261.061677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.061677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.061677 (E_RNA)
where:
Base-Base interactions energy: -181.496
where: short stacking energy: -76.076
Base-Backbone interact. energy: 1.944
local terms energy: -81.510072
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -12.368
flat angles C4'-P-C4' energy: -17.766
flat angles P-C4'-P energy: -13.716
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: 5, replica: 4
=====================================
Write number: 98
Temperature: 1.100000
Total energy: -270.952720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.952720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.952720 (E_RNA)
where:
Base-Base interactions energy: -186.200
where: short stacking energy: -83.848
Base-Backbone interact. energy: -0.061
local terms energy: -84.690970
where:
bonds (distance) C4'-P energy: -17.278
bonds (distance) P-C4' energy: -13.432
flat angles C4'-P-C4' energy: -19.561
flat angles P-C4'-P energy: -10.989
tors. eta vs tors. theta energy: -23.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 98
Temperature: 1.150000
Total energy: -264.292114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.292114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.292114 (E_RNA)
where:
Base-Base interactions energy: -182.684
where: short stacking energy: -70.396
Base-Backbone interact. energy: -0.251
local terms energy: -81.357378
where:
bonds (distance) C4'-P energy: -15.273
bonds (distance) P-C4' energy: -16.369
flat angles C4'-P-C4' energy: -20.652
flat angles P-C4'-P energy: -9.837
tors. eta vs tors. theta energy: -19.227
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: 98
Temperature: 1.200000
Total energy: -114.906586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.906586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.906586 (E_RNA)
where:
Base-Base interactions energy: -43.291
where: short stacking energy: -43.291
Base-Backbone interact. energy: -0.036
local terms energy: -71.579811
where:
bonds (distance) C4'-P energy: -18.060
bonds (distance) P-C4' energy: -19.728
flat angles C4'-P-C4' energy: -17.995
flat angles P-C4'-P energy: -8.389
tors. eta vs tors. theta energy: -7.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 98
Temperature: 1.250000
Total energy: -141.521616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.521616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.521616 (E_RNA)
where:
Base-Base interactions energy: -78.890
where: short stacking energy: -39.378
Base-Backbone interact. energy: -0.209
local terms energy: -62.422960
where:
bonds (distance) C4'-P energy: -16.903
bonds (distance) P-C4' energy: -15.372
flat angles C4'-P-C4' energy: -14.195
flat angles P-C4'-P energy: -11.986
tors. eta vs tors. theta energy: -3.968
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 98
Temperature: 1.300000
Total energy: -86.878379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.878379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.878379 (E_RNA)
where:
Base-Base interactions energy: -30.041
where: short stacking energy: -18.686
Base-Backbone interact. energy: 0.273
local terms energy: -57.111026
where:
bonds (distance) C4'-P energy: -20.002
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -6.954
tors. eta vs tors. theta energy: 0.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 98
Temperature: 1.350000
Total energy: -88.595703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.595703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.595703 (E_RNA)
where:
Base-Base interactions energy: -32.586
where: short stacking energy: -22.760
Base-Backbone interact. energy: 0.343
local terms energy: -56.352797
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -15.124
flat angles C4'-P-C4' energy: -16.426
flat angles P-C4'-P energy: -11.742
tors. eta vs tors. theta energy: 3.183
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: 1, replica: 2
=====================================
Write number: 99
Temperature: 0.900000
Total energy: -291.002193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.002193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.002193 (E_RNA)
where:
Base-Base interactions energy: -197.042
where: short stacking energy: -84.656
Base-Backbone interact. energy: -0.134
local terms energy: -93.826955
where:
bonds (distance) C4'-P energy: -15.471
bonds (distance) P-C4' energy: -20.830
flat angles C4'-P-C4' energy: -17.711
flat angles P-C4'-P energy: -14.249
tors. eta vs tors. theta energy: -25.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 99
Temperature: 0.950000
Total energy: -296.423735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.423735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.423735 (E_RNA)
where:
Base-Base interactions energy: -204.429
where: short stacking energy: -75.775
Base-Backbone interact. energy: -0.100
local terms energy: -91.894445
where:
bonds (distance) C4'-P energy: -19.363
bonds (distance) P-C4' energy: -19.782
flat angles C4'-P-C4' energy: -19.619
flat angles P-C4'-P energy: -12.214
tors. eta vs tors. theta energy: -20.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 99
Temperature: 1.000000
Total energy: -277.444456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.444456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.444456 (E_RNA)
where:
Base-Base interactions energy: -182.682
where: short stacking energy: -65.827
Base-Backbone interact. energy: 0.448
local terms energy: -95.211171
where:
bonds (distance) C4'-P energy: -19.550
bonds (distance) P-C4' energy: -17.867
flat angles C4'-P-C4' energy: -19.619
flat angles P-C4'-P energy: -13.655
tors. eta vs tors. theta energy: -24.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 99
Temperature: 1.050000
Total energy: -270.263384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.263384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.263384 (E_RNA)
where:
Base-Base interactions energy: -188.155
where: short stacking energy: -80.254
Base-Backbone interact. energy: -0.002
local terms energy: -82.105897
where:
bonds (distance) C4'-P energy: -16.653
bonds (distance) P-C4' energy: -8.155
flat angles C4'-P-C4' energy: -18.725
flat angles P-C4'-P energy: -13.999
tors. eta vs tors. theta energy: -24.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 99
Temperature: 1.100000
Total energy: -268.249122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.249122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.249122 (E_RNA)
where:
Base-Base interactions energy: -185.060
where: short stacking energy: -75.477
Base-Backbone interact. energy: -0.014
local terms energy: -83.175445
where:
bonds (distance) C4'-P energy: -15.659
bonds (distance) P-C4' energy: -18.207
flat angles C4'-P-C4' energy: -13.218
flat angles P-C4'-P energy: -11.755
tors. eta vs tors. theta energy: -24.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 99
Temperature: 1.150000
Total energy: -264.944377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.944377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.944377 (E_RNA)
where:
Base-Base interactions energy: -186.079
where: short stacking energy: -71.183
Base-Backbone interact. energy: 0.124
local terms energy: -78.989570
where:
bonds (distance) C4'-P energy: -13.466
bonds (distance) P-C4' energy: -20.799
flat angles C4'-P-C4' energy: -12.034
flat angles P-C4'-P energy: -15.787
tors. eta vs tors. theta energy: -16.903
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: 9
=====================================
Write number: 99
Temperature: 1.200000
Total energy: -155.261030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.261030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.261030 (E_RNA)
where:
Base-Base interactions energy: -85.053
where: short stacking energy: -40.569
Base-Backbone interact. energy: -0.277
local terms energy: -69.930772
where:
bonds (distance) C4'-P energy: -14.042
bonds (distance) P-C4' energy: -17.828
flat angles C4'-P-C4' energy: -14.147
flat angles P-C4'-P energy: -11.436
tors. eta vs tors. theta energy: -12.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 99
Temperature: 1.250000
Total energy: -186.321202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.321202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.321202 (E_RNA)
where:
Base-Base interactions energy: -113.961
where: short stacking energy: -48.479
Base-Backbone interact. energy: -0.692
local terms energy: -71.668385
where:
bonds (distance) C4'-P energy: -9.634
bonds (distance) P-C4' energy: -19.230
flat angles C4'-P-C4' energy: -18.370
flat angles P-C4'-P energy: -11.523
tors. eta vs tors. theta energy: -12.912
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 99
Temperature: 1.300000
Total energy: -92.931534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.931534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.931534 (E_RNA)
where:
Base-Base interactions energy: -43.853
where: short stacking energy: -38.617
Base-Backbone interact. energy: 0.663
local terms energy: -49.742095
where:
bonds (distance) C4'-P energy: -14.197
bonds (distance) P-C4' energy: -16.622
flat angles C4'-P-C4' energy: -10.484
flat angles P-C4'-P energy: -5.189
tors. eta vs tors. theta energy: -3.251
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: 99
Temperature: 1.350000
Total energy: -87.428642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.428642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.428642 (E_RNA)
where:
Base-Base interactions energy: -35.806
where: short stacking energy: -30.010
Base-Backbone interact. energy: -0.033
local terms energy: -51.590193
where:
bonds (distance) C4'-P energy: -10.565
bonds (distance) P-C4' energy: -12.975
flat angles C4'-P-C4' energy: -14.080
flat angles P-C4'-P energy: -7.959
tors. eta vs tors. theta energy: -6.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 100
Temperature: 0.900000
Total energy: -283.890466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.890466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.890466 (E_RNA)
where:
Base-Base interactions energy: -186.069
where: short stacking energy: -75.751
Base-Backbone interact. energy: -1.428
local terms energy: -96.392871
where:
bonds (distance) C4'-P energy: -17.839
bonds (distance) P-C4' energy: -21.740
flat angles C4'-P-C4' energy: -19.328
flat angles P-C4'-P energy: -13.825
tors. eta vs tors. theta energy: -23.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 100
Temperature: 0.950000
Total energy: -285.454165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.454165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.454165 (E_RNA)
where:
Base-Base interactions energy: -195.979
where: short stacking energy: -82.944
Base-Backbone interact. energy: -0.010
local terms energy: -89.465164
where:
bonds (distance) C4'-P energy: -17.711
bonds (distance) P-C4' energy: -16.601
flat angles C4'-P-C4' energy: -17.459
flat angles P-C4'-P energy: -12.286
tors. eta vs tors. theta energy: -25.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 100
Temperature: 1.000000
Total energy: -283.085275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.085275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.085275 (E_RNA)
where:
Base-Base interactions energy: -189.907
where: short stacking energy: -76.498
Base-Backbone interact. energy: -0.098
local terms energy: -93.080128
where:
bonds (distance) C4'-P energy: -16.843
bonds (distance) P-C4' energy: -20.088
flat angles C4'-P-C4' energy: -17.089
flat angles P-C4'-P energy: -14.014
tors. eta vs tors. theta energy: -25.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 100
Temperature: 1.050000
Total energy: -276.340412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.340412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.340412 (E_RNA)
where:
Base-Base interactions energy: -187.792
where: short stacking energy: -80.489
Base-Backbone interact. energy: -0.023
local terms energy: -88.525544
where:
bonds (distance) C4'-P energy: -13.208
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -18.684
flat angles P-C4'-P energy: -13.101
tors. eta vs tors. theta energy: -25.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 100
Temperature: 1.100000
Total energy: -271.358745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.358745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.358745 (E_RNA)
where:
Base-Base interactions energy: -173.677
where: short stacking energy: -72.317
Base-Backbone interact. energy: 0.071
local terms energy: -97.752787
where:
bonds (distance) C4'-P energy: -15.914
bonds (distance) P-C4' energy: -17.568
flat angles C4'-P-C4' energy: -21.000
flat angles P-C4'-P energy: -16.482
tors. eta vs tors. theta energy: -26.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 100
Temperature: 1.150000
Total energy: -247.049664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.049664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.049664 (E_RNA)
where:
Base-Base interactions energy: -172.036
where: short stacking energy: -72.590
Base-Backbone interact. energy: -0.102
local terms energy: -74.911563
where:
bonds (distance) C4'-P energy: -16.842
bonds (distance) P-C4' energy: -16.209
flat angles C4'-P-C4' energy: -13.334
flat angles P-C4'-P energy: -5.892
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: 7, replica: 5
=====================================
Write number: 100
Temperature: 1.200000
Total energy: -173.231241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.231241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.231241 (E_RNA)
where:
Base-Base interactions energy: -117.436
where: short stacking energy: -45.659
Base-Backbone interact. energy: -0.298
local terms energy: -55.497202
where:
bonds (distance) C4'-P energy: -9.276
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -12.154
flat angles P-C4'-P energy: -7.469
tors. eta vs tors. theta energy: -9.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 100
Temperature: 1.250000
Total energy: -146.885380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.885380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.885380 (E_RNA)
where:
Base-Base interactions energy: -78.274
where: short stacking energy: -42.047
Base-Backbone interact. energy: -0.139
local terms energy: -68.472797
where:
bonds (distance) C4'-P energy: -15.146
bonds (distance) P-C4' energy: -20.483
flat angles C4'-P-C4' energy: -17.947
flat angles P-C4'-P energy: -7.708
tors. eta vs tors. theta energy: -7.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 100
Temperature: 1.300000
Total energy: -98.029051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.029051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.029051 (E_RNA)
where:
Base-Base interactions energy: -35.112
where: short stacking energy: -26.655
Base-Backbone interact. energy: 0.382
local terms energy: -63.299001
where:
bonds (distance) C4'-P energy: -20.183
bonds (distance) P-C4' energy: -11.939
flat angles C4'-P-C4' energy: -18.929
flat angles P-C4'-P energy: -7.856
tors. eta vs tors. theta energy: -4.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 100
Temperature: 1.350000
Total energy: -105.049893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.049893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.049893 (E_RNA)
where:
Base-Base interactions energy: -46.761
where: short stacking energy: -33.352
Base-Backbone interact. energy: -0.787
local terms energy: -57.501391
where:
bonds (distance) C4'-P energy: -14.359
bonds (distance) P-C4' energy: -14.984
flat angles C4'-P-C4' energy: -15.056
flat angles P-C4'-P energy: -5.922
tors. eta vs tors. theta energy: -7.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 101
Temperature: 0.900000
Total energy: -281.846670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.846670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.846670 (E_RNA)
where:
Base-Base interactions energy: -187.173
where: short stacking energy: -72.373
Base-Backbone interact. energy: -0.349
local terms energy: -94.325173
where:
bonds (distance) C4'-P energy: -17.550
bonds (distance) P-C4' energy: -20.101
flat angles C4'-P-C4' energy: -20.088
flat angles P-C4'-P energy: -15.297
tors. eta vs tors. theta energy: -21.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 101
Temperature: 0.950000
Total energy: -279.347752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.347752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.347752 (E_RNA)
where:
Base-Base interactions energy: -186.929
where: short stacking energy: -78.660
Base-Backbone interact. energy: -0.871
local terms energy: -91.548177
where:
bonds (distance) C4'-P energy: -20.030
bonds (distance) P-C4' energy: -15.813
flat angles C4'-P-C4' energy: -19.730
flat angles P-C4'-P energy: -12.275
tors. eta vs tors. theta energy: -23.700
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: 101
Temperature: 1.000000
Total energy: -283.882721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.882721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.882721 (E_RNA)
where:
Base-Base interactions energy: -192.183
where: short stacking energy: -77.237
Base-Backbone interact. energy: -0.125
local terms energy: -91.575349
where:
bonds (distance) C4'-P energy: -15.158
bonds (distance) P-C4' energy: -21.169
flat angles C4'-P-C4' energy: -20.930
flat angles P-C4'-P energy: -12.691
tors. eta vs tors. theta energy: -21.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 101
Temperature: 1.050000
Total energy: -272.464149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.464149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.464149 (E_RNA)
where:
Base-Base interactions energy: -187.133
where: short stacking energy: -73.490
Base-Backbone interact. energy: -0.099
local terms energy: -85.232921
where:
bonds (distance) C4'-P energy: -14.039
bonds (distance) P-C4' energy: -14.262
flat angles C4'-P-C4' energy: -19.990
flat angles P-C4'-P energy: -11.233
tors. eta vs tors. theta energy: -25.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 101
Temperature: 1.100000
Total energy: -258.957901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.957901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.957901 (E_RNA)
where:
Base-Base interactions energy: -180.163
where: short stacking energy: -76.842
Base-Backbone interact. energy: -0.491
local terms energy: -78.304149
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -15.875
flat angles C4'-P-C4' energy: -16.956
flat angles P-C4'-P energy: -12.274
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: 6, replica: 10
=====================================
Write number: 101
Temperature: 1.150000
Total energy: -259.686498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.686498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.686498 (E_RNA)
where:
Base-Base interactions energy: -182.044
where: short stacking energy: -74.200
Base-Backbone interact. energy: 3.332
local terms energy: -80.973748
where:
bonds (distance) C4'-P energy: -16.850
bonds (distance) P-C4' energy: -16.773
flat angles C4'-P-C4' energy: -17.894
flat angles P-C4'-P energy: -11.601
tors. eta vs tors. theta energy: -17.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 101
Temperature: 1.200000
Total energy: -173.971671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.971671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.971671 (E_RNA)
where:
Base-Base interactions energy: -104.161
where: short stacking energy: -42.940
Base-Backbone interact. energy: -0.887
local terms energy: -68.924258
where:
bonds (distance) C4'-P energy: -13.377
bonds (distance) P-C4' energy: -19.447
flat angles C4'-P-C4' energy: -12.915
flat angles P-C4'-P energy: -12.540
tors. eta vs tors. theta energy: -10.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 101
Temperature: 1.250000
Total energy: -99.105720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.105720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.105720 (E_RNA)
where:
Base-Base interactions energy: -47.297
where: short stacking energy: -46.372
Base-Backbone interact. energy: -0.189
local terms energy: -51.619630
where:
bonds (distance) C4'-P energy: -12.119
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -14.288
flat angles P-C4'-P energy: -8.476
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: 9
=====================================
Write number: 101
Temperature: 1.300000
Total energy: -114.799351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.799351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.799351 (E_RNA)
where:
Base-Base interactions energy: -58.504
where: short stacking energy: -29.443
Base-Backbone interact. energy: 0.504
local terms energy: -56.799303
where:
bonds (distance) C4'-P energy: -13.877
bonds (distance) P-C4' energy: -17.759
flat angles C4'-P-C4' energy: -13.504
flat angles P-C4'-P energy: -8.627
tors. eta vs tors. theta energy: -3.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 101
Temperature: 1.350000
Total energy: -97.377904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.377904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.377904 (E_RNA)
where:
Base-Base interactions energy: -37.509
where: short stacking energy: -13.822
Base-Backbone interact. energy: -1.104
local terms energy: -58.764433
where:
bonds (distance) C4'-P energy: -17.367
bonds (distance) P-C4' energy: -17.219
flat angles C4'-P-C4' energy: -11.356
flat angles P-C4'-P energy: -9.133
tors. eta vs tors. theta energy: -3.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 102
Temperature: 0.900000
Total energy: -279.872038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.872038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.872038 (E_RNA)
where:
Base-Base interactions energy: -194.938
where: short stacking energy: -82.420
Base-Backbone interact. energy: -0.064
local terms energy: -84.869628
where:
bonds (distance) C4'-P energy: -15.555
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -17.620
flat angles P-C4'-P energy: -13.999
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: 2, replica: 7
=====================================
Write number: 102
Temperature: 0.950000
Total energy: -283.040885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.040885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.040885 (E_RNA)
where:
Base-Base interactions energy: -194.405
where: short stacking energy: -72.151
Base-Backbone interact. energy: -0.147
local terms energy: -88.489015
where:
bonds (distance) C4'-P energy: -18.176
bonds (distance) P-C4' energy: -17.210
flat angles C4'-P-C4' energy: -16.981
flat angles P-C4'-P energy: -12.339
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: 3, replica: 4
=====================================
Write number: 102
Temperature: 1.000000
Total energy: -288.307380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.307380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.307380 (E_RNA)
where:
Base-Base interactions energy: -194.407
where: short stacking energy: -75.499
Base-Backbone interact. energy: -1.228
local terms energy: -92.672799
where:
bonds (distance) C4'-P energy: -16.663
bonds (distance) P-C4' energy: -19.400
flat angles C4'-P-C4' energy: -17.891
flat angles P-C4'-P energy: -16.413
tors. eta vs tors. theta energy: -22.305
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: 2
=====================================
Write number: 102
Temperature: 1.050000
Total energy: -277.603427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.603427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.603427 (E_RNA)
where:
Base-Base interactions energy: -190.338
where: short stacking energy: -72.845
Base-Backbone interact. energy: -0.024
local terms energy: -87.240981
where:
bonds (distance) C4'-P energy: -16.891
bonds (distance) P-C4' energy: -19.219
flat angles C4'-P-C4' energy: -19.201
flat angles P-C4'-P energy: -11.821
tors. eta vs tors. theta energy: -20.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 102
Temperature: 1.100000
Total energy: -269.269737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.269737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.269737 (E_RNA)
where:
Base-Base interactions energy: -182.085
where: short stacking energy: -80.991
Base-Backbone interact. energy: 2.307
local terms energy: -89.491334
where:
bonds (distance) C4'-P energy: -15.511
bonds (distance) P-C4' energy: -15.761
flat angles C4'-P-C4' energy: -19.634
flat angles P-C4'-P energy: -12.854
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: 6, replica: 10
=====================================
Write number: 102
Temperature: 1.150000
Total energy: -247.658595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.658595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.658595 (E_RNA)
where:
Base-Base interactions energy: -164.038
where: short stacking energy: -71.322
Base-Backbone interact. energy: 1.884
local terms energy: -85.504930
where:
bonds (distance) C4'-P energy: -17.731
bonds (distance) P-C4' energy: -14.239
flat angles C4'-P-C4' energy: -17.242
flat angles P-C4'-P energy: -11.907
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: 7, replica: 8
=====================================
Write number: 102
Temperature: 1.200000
Total energy: -137.346763 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.346763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.346763 (E_RNA)
where:
Base-Base interactions energy: -83.905
where: short stacking energy: -45.048
Base-Backbone interact. energy: 1.181
local terms energy: -54.623396
where:
bonds (distance) C4'-P energy: -12.264
bonds (distance) P-C4' energy: -14.113
flat angles C4'-P-C4' energy: -17.410
flat angles P-C4'-P energy: -6.635
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: 8, replica: 5
=====================================
Write number: 102
Temperature: 1.250000
Total energy: -203.043078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.043078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.043078 (E_RNA)
where:
Base-Base interactions energy: -139.621
where: short stacking energy: -60.469
Base-Backbone interact. energy: -0.241
local terms energy: -63.181136
where:
bonds (distance) C4'-P energy: -10.567
bonds (distance) P-C4' energy: -13.281
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -8.601
tors. eta vs tors. theta energy: -16.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 102
Temperature: 1.300000
Total energy: -95.986258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.986258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.986258 (E_RNA)
where:
Base-Base interactions energy: -29.226
where: short stacking energy: -27.128
Base-Backbone interact. energy: -0.418
local terms energy: -66.342847
where:
bonds (distance) C4'-P energy: -17.819
bonds (distance) P-C4' energy: -15.033
flat angles C4'-P-C4' energy: -17.869
flat angles P-C4'-P energy: -13.687
tors. eta vs tors. theta energy: -1.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 102
Temperature: 1.350000
Total energy: -78.778264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.778264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.778264 (E_RNA)
where:
Base-Base interactions energy: -25.562
where: short stacking energy: -23.882
Base-Backbone interact. energy: -0.282
local terms energy: -52.934242
where:
bonds (distance) C4'-P energy: -16.879
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -5.622
flat angles P-C4'-P energy: -11.804
tors. eta vs tors. theta energy: -4.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 103
Temperature: 0.900000
Total energy: -285.923668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.923668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.923668 (E_RNA)
where:
Base-Base interactions energy: -195.758
where: short stacking energy: -78.909
Base-Backbone interact. energy: -1.476
local terms energy: -88.690164
where:
bonds (distance) C4'-P energy: -19.562
bonds (distance) P-C4' energy: -16.692
flat angles C4'-P-C4' energy: -18.824
flat angles P-C4'-P energy: -7.126
tors. eta vs tors. theta energy: -26.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 103
Temperature: 0.950000
Total energy: -300.104486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.104486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.104486 (E_RNA)
where:
Base-Base interactions energy: -204.061
where: short stacking energy: -93.775
Base-Backbone interact. energy: -0.123
local terms energy: -95.920286
where:
bonds (distance) C4'-P energy: -16.202
bonds (distance) P-C4' energy: -21.690
flat angles C4'-P-C4' energy: -17.942
flat angles P-C4'-P energy: -14.840
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: 3, replica: 7
=====================================
Write number: 103
Temperature: 1.000000
Total energy: -276.433038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.433038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.433038 (E_RNA)
where:
Base-Base interactions energy: -190.190
where: short stacking energy: -88.979
Base-Backbone interact. energy: -0.280
local terms energy: -85.962711
where:
bonds (distance) C4'-P energy: -16.832
bonds (distance) P-C4' energy: -10.991
flat angles C4'-P-C4' energy: -20.053
flat angles P-C4'-P energy: -13.291
tors. eta vs tors. theta energy: -24.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 103
Temperature: 1.050000
Total energy: -273.028242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.028242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.028242 (E_RNA)
where:
Base-Base interactions energy: -199.477
where: short stacking energy: -73.879
Base-Backbone interact. energy: -0.328
local terms energy: -73.224021
where:
bonds (distance) C4'-P energy: -13.038
bonds (distance) P-C4' energy: -11.851
flat angles C4'-P-C4' energy: -17.325
flat angles P-C4'-P energy: -11.793
tors. eta vs tors. theta energy: -19.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 103
Temperature: 1.100000
Total energy: -270.387062 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.387062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.387062 (E_RNA)
where:
Base-Base interactions energy: -179.134
where: short stacking energy: -75.037
Base-Backbone interact. energy: -0.185
local terms energy: -91.067621
where:
bonds (distance) C4'-P energy: -17.545
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -19.719
flat angles P-C4'-P energy: -9.523
tors. eta vs tors. theta energy: -25.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 103
Temperature: 1.150000
Total energy: -259.535711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.535711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.535711 (E_RNA)
where:
Base-Base interactions energy: -174.819
where: short stacking energy: -76.777
Base-Backbone interact. energy: -0.340
local terms energy: -84.376238
where:
bonds (distance) C4'-P energy: -12.112
bonds (distance) P-C4' energy: -20.430
flat angles C4'-P-C4' energy: -15.280
flat angles P-C4'-P energy: -13.088
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: 7, replica: 8
=====================================
Write number: 103
Temperature: 1.200000
Total energy: -128.030089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.030089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.030089 (E_RNA)
where:
Base-Base interactions energy: -58.708
where: short stacking energy: -34.094
Base-Backbone interact. energy: 0.669
local terms energy: -69.991347
where:
bonds (distance) C4'-P energy: -18.991
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -17.994
flat angles P-C4'-P energy: -13.310
tors. eta vs tors. theta energy: -5.608
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: 5
=====================================
Write number: 103
Temperature: 1.250000
Total energy: -209.536258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.536258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.536258 (E_RNA)
where:
Base-Base interactions energy: -138.985
where: short stacking energy: -62.440
Base-Backbone interact. energy: -0.037
local terms energy: -70.514032
where:
bonds (distance) C4'-P energy: -14.573
bonds (distance) P-C4' energy: -14.885
flat angles C4'-P-C4' energy: -13.662
flat angles P-C4'-P energy: -8.549
tors. eta vs tors. theta energy: -18.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 103
Temperature: 1.300000
Total energy: -87.711663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.711663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.711663 (E_RNA)
where:
Base-Base interactions energy: -27.341
where: short stacking energy: -27.341
Base-Backbone interact. energy: -0.505
local terms energy: -59.865975
where:
bonds (distance) C4'-P energy: -17.325
bonds (distance) P-C4' energy: -18.369
flat angles C4'-P-C4' energy: -9.912
flat angles P-C4'-P energy: -13.833
tors. eta vs tors. theta energy: -0.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 103
Temperature: 1.350000
Total energy: -86.899938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.899938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.899938 (E_RNA)
where:
Base-Base interactions energy: -43.252
where: short stacking energy: -29.487
Base-Backbone interact. energy: 0.644
local terms energy: -44.292303
where:
bonds (distance) C4'-P energy: -10.806
bonds (distance) P-C4' energy: -15.464
flat angles C4'-P-C4' energy: -8.672
flat angles P-C4'-P energy: -9.502
tors. eta vs tors. theta energy: 0.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 104
Temperature: 0.900000
Total energy: -286.315054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.315054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.315054 (E_RNA)
where:
Base-Base interactions energy: -191.858
where: short stacking energy: -81.857
Base-Backbone interact. energy: -0.773
local terms energy: -93.684102
where:
bonds (distance) C4'-P energy: -17.930
bonds (distance) P-C4' energy: -19.611
flat angles C4'-P-C4' energy: -18.718
flat angles P-C4'-P energy: -14.860
tors. eta vs tors. theta energy: -22.564
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: 2, replica: 3
=====================================
Write number: 104
Temperature: 0.950000
Total energy: -277.124793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.124793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.124793 (E_RNA)
where:
Base-Base interactions energy: -194.979
where: short stacking energy: -77.150
Base-Backbone interact. energy: 1.712
local terms energy: -83.858122
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -17.894
flat angles C4'-P-C4' energy: -16.874
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: -22.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 104
Temperature: 1.000000
Total energy: -281.288784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.288784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.288784 (E_RNA)
where:
Base-Base interactions energy: -197.654
where: short stacking energy: -76.657
Base-Backbone interact. energy: -0.110
local terms energy: -83.524306
where:
bonds (distance) C4'-P energy: -14.202
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -18.812
flat angles P-C4'-P energy: -14.850
tors. eta vs tors. theta energy: -18.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 104
Temperature: 1.050000
Total energy: -276.962842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.962842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.962842 (E_RNA)
where:
Base-Base interactions energy: -190.719
where: short stacking energy: -79.005
Base-Backbone interact. energy: 0.304
local terms energy: -86.547672
where:
bonds (distance) C4'-P energy: -13.539
bonds (distance) P-C4' energy: -16.184
flat angles C4'-P-C4' energy: -17.274
flat angles P-C4'-P energy: -12.885
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: 5, replica: 10
=====================================
Write number: 104
Temperature: 1.100000
Total energy: -272.659834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.659834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.659834 (E_RNA)
where:
Base-Base interactions energy: -181.872
where: short stacking energy: -72.241
Base-Backbone interact. energy: -1.440
local terms energy: -89.347829
where:
bonds (distance) C4'-P energy: -15.439
bonds (distance) P-C4' energy: -16.611
flat angles C4'-P-C4' energy: -19.364
flat angles P-C4'-P energy: -15.552
tors. eta vs tors. theta energy: -22.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 104
Temperature: 1.150000
Total energy: -265.034274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.034274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.034274 (E_RNA)
where:
Base-Base interactions energy: -185.909
where: short stacking energy: -80.006
Base-Backbone interact. energy: -0.562
local terms energy: -78.563803
where:
bonds (distance) C4'-P energy: -12.139
bonds (distance) P-C4' energy: -12.580
flat angles C4'-P-C4' energy: -17.891
flat angles P-C4'-P energy: -10.100
tors. eta vs tors. theta energy: -25.854
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: 5
=====================================
Write number: 104
Temperature: 1.200000
Total energy: -167.512873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.512873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.512873 (E_RNA)
where:
Base-Base interactions energy: -98.162
where: short stacking energy: -55.417
Base-Backbone interact. energy: -0.349
local terms energy: -69.001906
where:
bonds (distance) C4'-P energy: -16.372
bonds (distance) P-C4' energy: -17.035
flat angles C4'-P-C4' energy: -12.686
flat angles P-C4'-P energy: -9.623
tors. eta vs tors. theta energy: -13.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 104
Temperature: 1.250000
Total energy: -117.081570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.081570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.081570 (E_RNA)
where:
Base-Base interactions energy: -59.342
where: short stacking energy: -30.316
Base-Backbone interact. energy: -0.699
local terms energy: -57.040664
where:
bonds (distance) C4'-P energy: -18.618
bonds (distance) P-C4' energy: -19.045
flat angles C4'-P-C4' energy: -13.206
flat angles P-C4'-P energy: -6.011
tors. eta vs tors. theta energy: -0.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 104
Temperature: 1.300000
Total energy: -87.274093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.274093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.274093 (E_RNA)
where:
Base-Base interactions energy: -32.280
where: short stacking energy: -30.961
Base-Backbone interact. energy: -0.478
local terms energy: -54.516843
where:
bonds (distance) C4'-P energy: -18.544
bonds (distance) P-C4' energy: -14.966
flat angles C4'-P-C4' energy: -17.530
flat angles P-C4'-P energy: -7.225
tors. eta vs tors. theta energy: 3.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 104
Temperature: 1.350000
Total energy: -80.196122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.196122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.196122 (E_RNA)
where:
Base-Base interactions energy: -26.638
where: short stacking energy: -20.157
Base-Backbone interact. energy: 0.161
local terms energy: -53.719625
where:
bonds (distance) C4'-P energy: -10.980
bonds (distance) P-C4' energy: -18.841
flat angles C4'-P-C4' energy: -19.485
flat angles P-C4'-P energy: -6.142
tors. eta vs tors. theta energy: 1.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 105
Temperature: 0.900000
Total energy: -289.680941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.680941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.680941 (E_RNA)
where:
Base-Base interactions energy: -196.713
where: short stacking energy: -77.612
Base-Backbone interact. energy: 0.577
local terms energy: -93.544735
where:
bonds (distance) C4'-P energy: -15.933
bonds (distance) P-C4' energy: -21.042
flat angles C4'-P-C4' energy: -17.397
flat angles P-C4'-P energy: -13.886
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: 2, replica: 2
=====================================
Write number: 105
Temperature: 0.950000
Total energy: -277.982395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.982395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.982395 (E_RNA)
where:
Base-Base interactions energy: -182.020
where: short stacking energy: -78.017
Base-Backbone interact. energy: -0.003
local terms energy: -95.958957
where:
bonds (distance) C4'-P energy: -19.454
bonds (distance) P-C4' energy: -16.775
flat angles C4'-P-C4' energy: -20.467
flat angles P-C4'-P energy: -14.059
tors. eta vs tors. theta energy: -25.204
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: 3
=====================================
Write number: 105
Temperature: 1.000000
Total energy: -281.188940 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.188940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.188940 (E_RNA)
where:
Base-Base interactions energy: -194.040
where: short stacking energy: -70.353
Base-Backbone interact. energy: -0.538
local terms energy: -86.611341
where:
bonds (distance) C4'-P energy: -16.272
bonds (distance) P-C4' energy: -16.782
flat angles C4'-P-C4' energy: -18.835
flat angles P-C4'-P energy: -12.001
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: 4, replica: 7
=====================================
Write number: 105
Temperature: 1.050000
Total energy: -276.397539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.397539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.397539 (E_RNA)
where:
Base-Base interactions energy: -183.614
where: short stacking energy: -79.844
Base-Backbone interact. energy: -1.269
local terms energy: -91.514916
where:
bonds (distance) C4'-P energy: -19.393
bonds (distance) P-C4' energy: -14.644
flat angles C4'-P-C4' energy: -17.010
flat angles P-C4'-P energy: -14.587
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: 5, replica: 10
=====================================
Write number: 105
Temperature: 1.100000
Total energy: -271.256896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.256896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.256896 (E_RNA)
where:
Base-Base interactions energy: -189.636
where: short stacking energy: -82.478
Base-Backbone interact. energy: -0.165
local terms energy: -81.456129
where:
bonds (distance) C4'-P energy: -16.165
bonds (distance) P-C4' energy: -12.681
flat angles C4'-P-C4' energy: -20.502
flat angles P-C4'-P energy: -9.399
tors. eta vs tors. theta energy: -22.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 105
Temperature: 1.150000
Total energy: -262.686364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.686364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.686364 (E_RNA)
where:
Base-Base interactions energy: -180.200
where: short stacking energy: -70.929
Base-Backbone interact. energy: -1.328
local terms energy: -81.158034
where:
bonds (distance) C4'-P energy: -15.965
bonds (distance) P-C4' energy: -10.721
flat angles C4'-P-C4' energy: -17.666
flat angles P-C4'-P energy: -10.960
tors. eta vs tors. theta energy: -25.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 105
Temperature: 1.200000
Total energy: -165.998650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.998650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.998650 (E_RNA)
where:
Base-Base interactions energy: -102.929
where: short stacking energy: -53.429
Base-Backbone interact. energy: -0.124
local terms energy: -62.945802
where:
bonds (distance) C4'-P energy: -9.336
bonds (distance) P-C4' energy: -17.139
flat angles C4'-P-C4' energy: -12.674
flat angles P-C4'-P energy: -9.927
tors. eta vs tors. theta energy: -13.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 105
Temperature: 1.250000
Total energy: -141.172890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.172890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.172890 (E_RNA)
where:
Base-Base interactions energy: -81.139
where: short stacking energy: -39.886
Base-Backbone interact. energy: -0.008
local terms energy: -60.025222
where:
bonds (distance) C4'-P energy: -15.404
bonds (distance) P-C4' energy: -15.405
flat angles C4'-P-C4' energy: -14.490
flat angles P-C4'-P energy: -7.057
tors. eta vs tors. theta energy: -7.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 105
Temperature: 1.300000
Total energy: -92.520120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.520120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.520120 (E_RNA)
where:
Base-Base interactions energy: -32.222
where: short stacking energy: -30.064
Base-Backbone interact. energy: 0.746
local terms energy: -61.043907
where:
bonds (distance) C4'-P energy: -18.813
bonds (distance) P-C4' energy: -16.997
flat angles C4'-P-C4' energy: -12.469
flat angles P-C4'-P energy: -9.984
tors. eta vs tors. theta energy: -2.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 105
Temperature: 1.350000
Total energy: -83.624115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.624115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.624115 (E_RNA)
where:
Base-Base interactions energy: -32.912
where: short stacking energy: -28.138
Base-Backbone interact. energy: -0.123
local terms energy: -50.589407
where:
bonds (distance) C4'-P energy: -9.309
bonds (distance) P-C4' energy: -17.383
flat angles C4'-P-C4' energy: -13.699
flat angles P-C4'-P energy: -2.953
tors. eta vs tors. theta energy: -7.245
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: 2
=====================================
Write number: 106
Temperature: 0.900000
Total energy: -287.348152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.348152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.348152 (E_RNA)
where:
Base-Base interactions energy: -195.145
where: short stacking energy: -73.563
Base-Backbone interact. energy: 0.232
local terms energy: -92.435684
where:
bonds (distance) C4'-P energy: -16.652
bonds (distance) P-C4' energy: -18.252
flat angles C4'-P-C4' energy: -19.531
flat angles P-C4'-P energy: -14.591
tors. eta vs tors. theta energy: -23.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 106
Temperature: 0.950000
Total energy: -282.527198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.527198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.527198 (E_RNA)
where:
Base-Base interactions energy: -194.514
where: short stacking energy: -73.258
Base-Backbone interact. energy: -0.199
local terms energy: -87.814167
where:
bonds (distance) C4'-P energy: -17.784
bonds (distance) P-C4' energy: -16.929
flat angles C4'-P-C4' energy: -16.642
flat angles P-C4'-P energy: -14.301
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: 3, replica: 3
=====================================
Write number: 106
Temperature: 1.000000
Total energy: -278.160709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.160709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.160709 (E_RNA)
where:
Base-Base interactions energy: -189.989
where: short stacking energy: -75.454
Base-Backbone interact. energy: -0.080
local terms energy: -88.091620
where:
bonds (distance) C4'-P energy: -12.826
bonds (distance) P-C4' energy: -20.715
flat angles C4'-P-C4' energy: -17.519
flat angles P-C4'-P energy: -9.084
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: 4, replica: 7
=====================================
Write number: 106
Temperature: 1.050000
Total energy: -268.646728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.646728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.646728 (E_RNA)
where:
Base-Base interactions energy: -183.773
where: short stacking energy: -71.302
Base-Backbone interact. energy: -0.160
local terms energy: -84.713700
where:
bonds (distance) C4'-P energy: -18.998
bonds (distance) P-C4' energy: -17.025
flat angles C4'-P-C4' energy: -17.194
flat angles P-C4'-P energy: -10.990
tors. eta vs tors. theta energy: -20.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 106
Temperature: 1.100000
Total energy: -273.659625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.659625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.659625 (E_RNA)
where:
Base-Base interactions energy: -184.394
where: short stacking energy: -78.818
Base-Backbone interact. energy: -0.041
local terms energy: -89.224241
where:
bonds (distance) C4'-P energy: -14.131
bonds (distance) P-C4' energy: -20.637
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -13.628
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: 6, replica: 6
=====================================
Write number: 106
Temperature: 1.150000
Total energy: -251.796946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.796946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.796946 (E_RNA)
where:
Base-Base interactions energy: -170.258
where: short stacking energy: -77.102
Base-Backbone interact. energy: -0.343
local terms energy: -81.196067
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -11.528
flat angles C4'-P-C4' energy: -16.295
flat angles P-C4'-P energy: -11.667
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: 7, replica: 8
=====================================
Write number: 106
Temperature: 1.200000
Total energy: -152.186027 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.186027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.186027 (E_RNA)
where:
Base-Base interactions energy: -83.851
where: short stacking energy: -46.076
Base-Backbone interact. energy: -0.248
local terms energy: -68.086997
where:
bonds (distance) C4'-P energy: -14.573
bonds (distance) P-C4' energy: -17.616
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -12.462
tors. eta vs tors. theta energy: -8.314
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: 106
Temperature: 1.250000
Total energy: -160.732384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.732384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.732384 (E_RNA)
where:
Base-Base interactions energy: -93.028
where: short stacking energy: -38.792
Base-Backbone interact. energy: -0.494
local terms energy: -67.211043
where:
bonds (distance) C4'-P energy: -16.821
bonds (distance) P-C4' energy: -18.220
flat angles C4'-P-C4' energy: -12.446
flat angles P-C4'-P energy: -7.749
tors. eta vs tors. theta energy: -11.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 106
Temperature: 1.300000
Total energy: -103.408501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.408501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.408501 (E_RNA)
where:
Base-Base interactions energy: -36.356
where: short stacking energy: -36.356
Base-Backbone interact. energy: -0.130
local terms energy: -66.922373
where:
bonds (distance) C4'-P energy: -19.669
bonds (distance) P-C4' energy: -18.942
flat angles C4'-P-C4' energy: -14.870
flat angles P-C4'-P energy: -11.715
tors. eta vs tors. theta energy: -1.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 106
Temperature: 1.350000
Total energy: -79.770679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.770679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.770679 (E_RNA)
where:
Base-Base interactions energy: -35.637
where: short stacking energy: -26.876
Base-Backbone interact. energy: 0.065
local terms energy: -44.199166
where:
bonds (distance) C4'-P energy: -13.314
bonds (distance) P-C4' energy: -17.539
flat angles C4'-P-C4' energy: -9.943
flat angles P-C4'-P energy: -6.347
tors. eta vs tors. theta energy: 2.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 107
Temperature: 0.900000
Total energy: -292.280397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.280397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.280397 (E_RNA)
where:
Base-Base interactions energy: -196.981
where: short stacking energy: -88.218
Base-Backbone interact. energy: -0.079
local terms energy: -95.220319
where:
bonds (distance) C4'-P energy: -16.971
bonds (distance) P-C4' energy: -18.952
flat angles C4'-P-C4' energy: -15.969
flat angles P-C4'-P energy: -14.232
tors. eta vs tors. theta energy: -29.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 107
Temperature: 0.950000
Total energy: -285.134674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.134674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.134674 (E_RNA)
where:
Base-Base interactions energy: -198.471
where: short stacking energy: -77.664
Base-Backbone interact. energy: 0.300
local terms energy: -86.963225
where:
bonds (distance) C4'-P energy: -11.863
bonds (distance) P-C4' energy: -19.437
flat angles C4'-P-C4' energy: -18.441
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -25.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 107
Temperature: 1.000000
Total energy: -283.494506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.494506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.494506 (E_RNA)
where:
Base-Base interactions energy: -187.422
where: short stacking energy: -77.522
Base-Backbone interact. energy: -0.332
local terms energy: -95.739962
where:
bonds (distance) C4'-P energy: -19.327
bonds (distance) P-C4' energy: -19.209
flat angles C4'-P-C4' energy: -17.802
flat angles P-C4'-P energy: -15.186
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: 4, replica: 10
=====================================
Write number: 107
Temperature: 1.050000
Total energy: -273.362898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.362898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.362898 (E_RNA)
where:
Base-Base interactions energy: -188.720
where: short stacking energy: -76.526
Base-Backbone interact. energy: -0.011
local terms energy: -84.632464
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -15.679
flat angles C4'-P-C4' energy: -19.507
flat angles P-C4'-P energy: -10.198
tors. eta vs tors. theta energy: -25.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 107
Temperature: 1.100000
Total energy: -257.809776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.809776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.809776 (E_RNA)
where:
Base-Base interactions energy: -170.577
where: short stacking energy: -73.982
Base-Backbone interact. energy: -0.223
local terms energy: -87.010420
where:
bonds (distance) C4'-P energy: -21.115
bonds (distance) P-C4' energy: -14.140
flat angles C4'-P-C4' energy: -16.890
flat angles P-C4'-P energy: -11.814
tors. eta vs tors. theta energy: -23.051
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 107
Temperature: 1.150000
Total energy: -263.099644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.099644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.099644 (E_RNA)
where:
Base-Base interactions energy: -178.190
where: short stacking energy: -72.632
Base-Backbone interact. energy: 0.302
local terms energy: -85.210876
where:
bonds (distance) C4'-P energy: -15.451
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -16.777
tors. eta vs tors. theta energy: -19.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 107
Temperature: 1.200000
Total energy: -162.402947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.402947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.402947 (E_RNA)
where:
Base-Base interactions energy: -98.199
where: short stacking energy: -50.944
Base-Backbone interact. energy: -0.139
local terms energy: -64.064889
where:
bonds (distance) C4'-P energy: -19.248
bonds (distance) P-C4' energy: -13.959
flat angles C4'-P-C4' energy: -11.818
flat angles P-C4'-P energy: -6.051
tors. eta vs tors. theta energy: -12.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 107
Temperature: 1.250000
Total energy: -192.681934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.681934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.681934 (E_RNA)
where:
Base-Base interactions energy: -134.790
where: short stacking energy: -52.368
Base-Backbone interact. energy: -0.232
local terms energy: -57.659306
where:
bonds (distance) C4'-P energy: -5.847
bonds (distance) P-C4' energy: -15.726
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -9.944
tors. eta vs tors. theta energy: -11.189
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: 9
=====================================
Write number: 107
Temperature: 1.300000
Total energy: -84.589109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.589109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.589109 (E_RNA)
where:
Base-Base interactions energy: -21.624
where: short stacking energy: -21.624
Base-Backbone interact. energy: -0.115
local terms energy: -62.850241
where:
bonds (distance) C4'-P energy: -15.459
bonds (distance) P-C4' energy: -17.247
flat angles C4'-P-C4' energy: -14.458
flat angles P-C4'-P energy: -13.691
tors. eta vs tors. theta energy: -1.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 107
Temperature: 1.350000
Total energy: -80.515994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.515994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.515994 (E_RNA)
where:
Base-Base interactions energy: -28.023
where: short stacking energy: -16.165
Base-Backbone interact. energy: -0.446
local terms energy: -52.046862
where:
bonds (distance) C4'-P energy: -18.672
bonds (distance) P-C4' energy: -19.109
flat angles C4'-P-C4' energy: -13.274
flat angles P-C4'-P energy: -8.058
tors. eta vs tors. theta energy: 7.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 108
Temperature: 0.900000
Total energy: -289.643100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.643100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.643100 (E_RNA)
where:
Base-Base interactions energy: -200.790
where: short stacking energy: -81.892
Base-Backbone interact. energy: -1.732
local terms energy: -87.121144
where:
bonds (distance) C4'-P energy: -13.414
bonds (distance) P-C4' energy: -16.251
flat angles C4'-P-C4' energy: -17.225
flat angles P-C4'-P energy: -13.467
tors. eta vs tors. theta energy: -26.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 108
Temperature: 0.950000
Total energy: -288.948223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.948223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.948223 (E_RNA)
where:
Base-Base interactions energy: -201.994
where: short stacking energy: -88.209
Base-Backbone interact. energy: -0.417
local terms energy: -86.537414
where:
bonds (distance) C4'-P energy: -13.704
bonds (distance) P-C4' energy: -18.744
flat angles C4'-P-C4' energy: -19.750
flat angles P-C4'-P energy: -7.660
tors. eta vs tors. theta energy: -26.679
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 108
Temperature: 1.000000
Total energy: -274.434999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.434999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.434999 (E_RNA)
where:
Base-Base interactions energy: -180.758
where: short stacking energy: -66.725
Base-Backbone interact. energy: -0.800
local terms energy: -92.876268
where:
bonds (distance) C4'-P energy: -18.027
bonds (distance) P-C4' energy: -17.824
flat angles C4'-P-C4' energy: -20.132
flat angles P-C4'-P energy: -14.334
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: 4, replica: 4
=====================================
Write number: 108
Temperature: 1.050000
Total energy: -265.725106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.725106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.725106 (E_RNA)
where:
Base-Base interactions energy: -182.720
where: short stacking energy: -74.396
Base-Backbone interact. energy: -0.014
local terms energy: -82.990684
where:
bonds (distance) C4'-P energy: -12.764
bonds (distance) P-C4' energy: -18.412
flat angles C4'-P-C4' energy: -17.502
flat angles P-C4'-P energy: -9.573
tors. eta vs tors. theta energy: -24.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 108
Temperature: 1.100000
Total energy: -259.908069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.908069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.908069 (E_RNA)
where:
Base-Base interactions energy: -184.577
where: short stacking energy: -66.050
Base-Backbone interact. energy: 1.439
local terms energy: -76.770448
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -15.943
flat angles C4'-P-C4' energy: -15.140
flat angles P-C4'-P energy: -13.635
tors. eta vs tors. theta energy: -16.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 108
Temperature: 1.150000
Total energy: -248.157508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.157508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.157508 (E_RNA)
where:
Base-Base interactions energy: -163.280
where: short stacking energy: -62.063
Base-Backbone interact. energy: -0.720
local terms energy: -84.157765
where:
bonds (distance) C4'-P energy: -17.621
bonds (distance) P-C4' energy: -17.057
flat angles C4'-P-C4' energy: -18.009
flat angles P-C4'-P energy: -10.243
tors. eta vs tors. theta energy: -21.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 108
Temperature: 1.200000
Total energy: -184.928777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.928777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.928777 (E_RNA)
where:
Base-Base interactions energy: -127.546
where: short stacking energy: -53.151
Base-Backbone interact. energy: -0.223
local terms energy: -57.159717
where:
bonds (distance) C4'-P energy: -13.427
bonds (distance) P-C4' energy: -13.256
flat angles C4'-P-C4' energy: -12.811
flat angles P-C4'-P energy: -10.212
tors. eta vs tors. theta energy: -7.454
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 108
Temperature: 1.250000
Total energy: -153.739270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.739270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.739270 (E_RNA)
where:
Base-Base interactions energy: -94.833
where: short stacking energy: -35.581
Base-Backbone interact. energy: 2.847
local terms energy: -61.753257
where:
bonds (distance) C4'-P energy: -13.203
bonds (distance) P-C4' energy: -21.750
flat angles C4'-P-C4' energy: -11.871
flat angles P-C4'-P energy: -9.058
tors. eta vs tors. theta energy: -5.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 108
Temperature: 1.300000
Total energy: -86.836321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.836321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.836321 (E_RNA)
where:
Base-Base interactions energy: -29.209
where: short stacking energy: -28.858
Base-Backbone interact. energy: -0.341
local terms energy: -57.286077
where:
bonds (distance) C4'-P energy: -17.297
bonds (distance) P-C4' energy: -17.716
flat angles C4'-P-C4' energy: -9.427
flat angles P-C4'-P energy: -7.942
tors. eta vs tors. theta energy: -4.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 108
Temperature: 1.350000
Total energy: -87.752540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.752540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.752540 (E_RNA)
where:
Base-Base interactions energy: -26.267
where: short stacking energy: -26.267
Base-Backbone interact. energy: -0.762
local terms energy: -60.723382
where:
bonds (distance) C4'-P energy: -16.047
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -14.530
flat angles P-C4'-P energy: -10.578
tors. eta vs tors. theta energy: -3.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 109
Temperature: 0.900000
Total energy: -288.570181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.570181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.570181 (E_RNA)
where:
Base-Base interactions energy: -198.599
where: short stacking energy: -80.974
Base-Backbone interact. energy: -0.025
local terms energy: -89.946105
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -19.868
flat angles C4'-P-C4' energy: -16.629
flat angles P-C4'-P energy: -14.095
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: 2, replica: 10
=====================================
Write number: 109
Temperature: 0.950000
Total energy: -280.707494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.707494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.707494 (E_RNA)
where:
Base-Base interactions energy: -194.540
where: short stacking energy: -79.076
Base-Backbone interact. energy: -0.130
local terms energy: -86.037857
where:
bonds (distance) C4'-P energy: -18.684
bonds (distance) P-C4' energy: -17.224
flat angles C4'-P-C4' energy: -18.281
flat angles P-C4'-P energy: -13.004
tors. eta vs tors. theta energy: -18.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 109
Temperature: 1.000000
Total energy: -282.370544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.370544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.370544 (E_RNA)
where:
Base-Base interactions energy: -195.732
where: short stacking energy: -86.340
Base-Backbone interact. energy: 0.081
local terms energy: -86.719922
where:
bonds (distance) C4'-P energy: -14.561
bonds (distance) P-C4' energy: -18.685
flat angles C4'-P-C4' energy: -17.292
flat angles P-C4'-P energy: -11.634
tors. eta vs tors. theta energy: -24.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 109
Temperature: 1.050000
Total energy: -279.265138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.265138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.265138 (E_RNA)
where:
Base-Base interactions energy: -188.594
where: short stacking energy: -84.897
Base-Backbone interact. energy: -0.026
local terms energy: -90.645244
where:
bonds (distance) C4'-P energy: -17.563
bonds (distance) P-C4' energy: -15.363
flat angles C4'-P-C4' energy: -19.671
flat angles P-C4'-P energy: -12.125
tors. eta vs tors. theta energy: -25.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 109
Temperature: 1.100000
Total energy: -258.906679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.906679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.906679 (E_RNA)
where:
Base-Base interactions energy: -170.468
where: short stacking energy: -64.882
Base-Backbone interact. energy: -1.627
local terms energy: -86.811724
where:
bonds (distance) C4'-P energy: -12.159
bonds (distance) P-C4' energy: -19.337
flat angles C4'-P-C4' energy: -18.357
flat angles P-C4'-P energy: -15.420
tors. eta vs tors. theta energy: -21.538
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: 6
=====================================
Write number: 109
Temperature: 1.150000
Total energy: -252.565395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.565395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.565395 (E_RNA)
where:
Base-Base interactions energy: -171.284
where: short stacking energy: -72.813
Base-Backbone interact. energy: -0.108
local terms energy: -81.173153
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -16.917
flat angles C4'-P-C4' energy: -20.604
flat angles P-C4'-P energy: -11.236
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: 7, replica: 5
=====================================
Write number: 109
Temperature: 1.200000
Total energy: -182.247476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.247476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.247476 (E_RNA)
where:
Base-Base interactions energy: -112.008
where: short stacking energy: -47.504
Base-Backbone interact. energy: -0.815
local terms energy: -69.425155
where:
bonds (distance) C4'-P energy: -15.712
bonds (distance) P-C4' energy: -17.787
flat angles C4'-P-C4' energy: -13.492
flat angles P-C4'-P energy: -13.538
tors. eta vs tors. theta energy: -8.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 109
Temperature: 1.250000
Total energy: -157.360463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.360463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.360463 (E_RNA)
where:
Base-Base interactions energy: -95.294
where: short stacking energy: -42.394
Base-Backbone interact. energy: -0.731
local terms energy: -61.335606
where:
bonds (distance) C4'-P energy: -15.314
bonds (distance) P-C4' energy: -13.807
flat angles C4'-P-C4' energy: -18.129
flat angles P-C4'-P energy: -7.913
tors. eta vs tors. theta energy: -6.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 109
Temperature: 1.300000
Total energy: -85.847264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.847264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.847264 (E_RNA)
where:
Base-Base interactions energy: -27.436
where: short stacking energy: -24.222
Base-Backbone interact. energy: 1.982
local terms energy: -60.393048
where:
bonds (distance) C4'-P energy: -18.991
bonds (distance) P-C4' energy: -13.990
flat angles C4'-P-C4' energy: -14.132
flat angles P-C4'-P energy: -8.911
tors. eta vs tors. theta energy: -4.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 109
Temperature: 1.350000
Total energy: -107.340076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.340076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.340076 (E_RNA)
where:
Base-Base interactions energy: -49.600
where: short stacking energy: -32.572
Base-Backbone interact. energy: -0.592
local terms energy: -57.148089
where:
bonds (distance) C4'-P energy: -15.454
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -17.667
flat angles P-C4'-P energy: -12.375
tors. eta vs tors. theta energy: 1.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 110
Temperature: 0.900000
Total energy: -286.130913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.130913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.130913 (E_RNA)
where:
Base-Base interactions energy: -193.901
where: short stacking energy: -76.565
Base-Backbone interact. energy: -0.034
local terms energy: -92.195681
where:
bonds (distance) C4'-P energy: -18.531
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -20.855
flat angles P-C4'-P energy: -15.409
tors. eta vs tors. theta energy: -20.295
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: 2, replica: 10
=====================================
Write number: 110
Temperature: 0.950000
Total energy: -285.032955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.032955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.032955 (E_RNA)
where:
Base-Base interactions energy: -205.224
where: short stacking energy: -82.257
Base-Backbone interact. energy: -0.461
local terms energy: -79.348377
where:
bonds (distance) C4'-P energy: -16.614
bonds (distance) P-C4' energy: -18.825
flat angles C4'-P-C4' energy: -19.444
flat angles P-C4'-P energy: -5.270
tors. eta vs tors. theta energy: -19.196
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: 2
=====================================
Write number: 110
Temperature: 1.000000
Total energy: -278.433328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.433328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.433328 (E_RNA)
where:
Base-Base interactions energy: -194.382
where: short stacking energy: -77.016
Base-Backbone interact. energy: -0.121
local terms energy: -83.930303
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -16.222
flat angles C4'-P-C4' energy: -19.451
flat angles P-C4'-P energy: -9.712
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: 4, replica: 4
=====================================
Write number: 110
Temperature: 1.050000
Total energy: -268.937064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.937064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.937064 (E_RNA)
where:
Base-Base interactions energy: -184.805
where: short stacking energy: -72.190
Base-Backbone interact. energy: -0.064
local terms energy: -84.068886
where:
bonds (distance) C4'-P energy: -14.830
bonds (distance) P-C4' energy: -14.289
flat angles C4'-P-C4' energy: -19.545
flat angles P-C4'-P energy: -13.260
tors. eta vs tors. theta energy: -22.145
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: 7
=====================================
Write number: 110
Temperature: 1.100000
Total energy: -270.502977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.502977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.502977 (E_RNA)
where:
Base-Base interactions energy: -189.593
where: short stacking energy: -81.080
Base-Backbone interact. energy: -0.081
local terms energy: -80.829176
where:
bonds (distance) C4'-P energy: -16.499
bonds (distance) P-C4' energy: -13.586
flat angles C4'-P-C4' energy: -17.245
flat angles P-C4'-P energy: -9.109
tors. eta vs tors. theta energy: -24.390
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: 6, replica: 6
=====================================
Write number: 110
Temperature: 1.150000
Total energy: -251.221563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.221563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.221563 (E_RNA)
where:
Base-Base interactions energy: -176.206
where: short stacking energy: -65.512
Base-Backbone interact. energy: -0.245
local terms energy: -74.770129
where:
bonds (distance) C4'-P energy: -11.412
bonds (distance) P-C4' energy: -14.588
flat angles C4'-P-C4' energy: -17.890
flat angles P-C4'-P energy: -13.772
tors. eta vs tors. theta energy: -17.109
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 110
Temperature: 1.200000
Total energy: -195.090186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.090186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.090186 (E_RNA)
where:
Base-Base interactions energy: -127.270
where: short stacking energy: -49.017
Base-Backbone interact. energy: -0.755
local terms energy: -67.065339
where:
bonds (distance) C4'-P energy: -14.685
bonds (distance) P-C4' energy: -14.307
flat angles C4'-P-C4' energy: -17.135
flat angles P-C4'-P energy: -13.962
tors. eta vs tors. theta energy: -6.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 110
Temperature: 1.250000
Total energy: -183.786251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.786251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.786251 (E_RNA)
where:
Base-Base interactions energy: -115.205
where: short stacking energy: -48.198
Base-Backbone interact. energy: -0.977
local terms energy: -67.604299
where:
bonds (distance) C4'-P energy: -17.454
bonds (distance) P-C4' energy: -19.861
flat angles C4'-P-C4' energy: -7.181
flat angles P-C4'-P energy: -13.437
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: 9, replica: 9
=====================================
Write number: 110
Temperature: 1.300000
Total energy: -96.778778 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.778778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.778778 (E_RNA)
where:
Base-Base interactions energy: -35.168
where: short stacking energy: -34.868
Base-Backbone interact. energy: -0.237
local terms energy: -61.373717
where:
bonds (distance) C4'-P energy: -17.750
bonds (distance) P-C4' energy: -18.250
flat angles C4'-P-C4' energy: -12.954
flat angles P-C4'-P energy: -8.474
tors. eta vs tors. theta energy: -3.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 110
Temperature: 1.350000
Total energy: -82.476071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.476071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.476071 (E_RNA)
where:
Base-Base interactions energy: -29.623
where: short stacking energy: -28.403
Base-Backbone interact. energy: 0.648
local terms energy: -53.501519
where:
bonds (distance) C4'-P energy: -11.168
bonds (distance) P-C4' energy: -13.801
flat angles C4'-P-C4' energy: -14.234
flat angles P-C4'-P energy: -9.446
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: 1, replica: 3
=====================================
Write number: 111
Temperature: 0.900000
Total energy: -290.198887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.198887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.198887 (E_RNA)
where:
Base-Base interactions energy: -190.614
where: short stacking energy: -86.653
Base-Backbone interact. energy: -2.095
local terms energy: -97.490424
where:
bonds (distance) C4'-P energy: -18.123
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -19.949
flat angles P-C4'-P energy: -16.125
tors. eta vs tors. theta energy: -26.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 111
Temperature: 0.950000
Total energy: -279.978068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.978068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.978068 (E_RNA)
where:
Base-Base interactions energy: -187.379
where: short stacking energy: -76.996
Base-Backbone interact. energy: -1.955
local terms energy: -90.643858
where:
bonds (distance) C4'-P energy: -19.124
bonds (distance) P-C4' energy: -18.371
flat angles C4'-P-C4' energy: -17.206
flat angles P-C4'-P energy: -12.559
tors. eta vs tors. theta energy: -23.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 111
Temperature: 1.000000
Total energy: -273.168043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.168043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.168043 (E_RNA)
where:
Base-Base interactions energy: -181.395
where: short stacking energy: -77.800
Base-Backbone interact. energy: -0.296
local terms energy: -91.477041
where:
bonds (distance) C4'-P energy: -18.476
bonds (distance) P-C4' energy: -13.645
flat angles C4'-P-C4' energy: -18.352
flat angles P-C4'-P energy: -14.458
tors. eta vs tors. theta energy: -26.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 111
Temperature: 1.050000
Total energy: -265.742189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.742189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.742189 (E_RNA)
where:
Base-Base interactions energy: -186.470
where: short stacking energy: -76.768
Base-Backbone interact. energy: -1.198
local terms energy: -78.074048
where:
bonds (distance) C4'-P energy: -12.287
bonds (distance) P-C4' energy: -15.276
flat angles C4'-P-C4' energy: -18.710
flat angles P-C4'-P energy: -8.241
tors. eta vs tors. theta energy: -23.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 111
Temperature: 1.100000
Total energy: -269.415801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.415801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.415801 (E_RNA)
where:
Base-Base interactions energy: -188.932
where: short stacking energy: -75.128
Base-Backbone interact. energy: -0.110
local terms energy: -80.373823
where:
bonds (distance) C4'-P energy: -15.834
bonds (distance) P-C4' energy: -18.750
flat angles C4'-P-C4' energy: -13.032
flat angles P-C4'-P energy: -10.207
tors. eta vs tors. theta energy: -22.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 111
Temperature: 1.150000
Total energy: -257.224938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.224938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.224938 (E_RNA)
where:
Base-Base interactions energy: -178.193
where: short stacking energy: -69.363
Base-Backbone interact. energy: -0.154
local terms energy: -78.878117
where:
bonds (distance) C4'-P energy: -9.986
bonds (distance) P-C4' energy: -20.253
flat angles C4'-P-C4' energy: -15.048
flat angles P-C4'-P energy: -11.790
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: 8
=====================================
Write number: 111
Temperature: 1.200000
Total energy: -163.084234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.084234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.084234 (E_RNA)
where:
Base-Base interactions energy: -96.644
where: short stacking energy: -40.510
Base-Backbone interact. energy: -0.211
local terms energy: -66.228865
where:
bonds (distance) C4'-P energy: -17.702
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -12.722
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: -11.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 111
Temperature: 1.250000
Total energy: -97.598042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.598042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.598042 (E_RNA)
where:
Base-Base interactions energy: -32.165
where: short stacking energy: -29.888
Base-Backbone interact. energy: -0.137
local terms energy: -65.296183
where:
bonds (distance) C4'-P energy: -17.755
bonds (distance) P-C4' energy: -19.593
flat angles C4'-P-C4' energy: -15.579
flat angles P-C4'-P energy: -9.067
tors. eta vs tors. theta energy: -3.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 111
Temperature: 1.300000
Total energy: -152.201401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.201401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.201401 (E_RNA)
where:
Base-Base interactions energy: -96.211
where: short stacking energy: -42.565
Base-Backbone interact. energy: -0.875
local terms energy: -55.114871
where:
bonds (distance) C4'-P energy: -14.050
bonds (distance) P-C4' energy: -11.493
flat angles C4'-P-C4' energy: -15.425
flat angles P-C4'-P energy: -3.273
tors. eta vs tors. theta energy: -10.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 111
Temperature: 1.350000
Total energy: -92.398396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.398396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.398396 (E_RNA)
where:
Base-Base interactions energy: -35.985
where: short stacking energy: -19.879
Base-Backbone interact. energy: -0.168
local terms energy: -56.245130
where:
bonds (distance) C4'-P energy: -10.453
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -14.454
flat angles P-C4'-P energy: -12.277
tors. eta vs tors. theta energy: -3.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 112
Temperature: 0.900000
Total energy: -283.428851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.428851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.428851 (E_RNA)
where:
Base-Base interactions energy: -197.395
where: short stacking energy: -81.760
Base-Backbone interact. energy: -0.175
local terms energy: -85.859215
where:
bonds (distance) C4'-P energy: -16.490
bonds (distance) P-C4' energy: -16.590
flat angles C4'-P-C4' energy: -14.949
flat angles P-C4'-P energy: -13.584
tors. eta vs tors. theta energy: -24.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 112
Temperature: 0.950000
Total energy: -276.405032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.405032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.405032 (E_RNA)
where:
Base-Base interactions energy: -188.211
where: short stacking energy: -80.745
Base-Backbone interact. energy: 1.326
local terms energy: -89.520005
where:
bonds (distance) C4'-P energy: -13.128
bonds (distance) P-C4' energy: -21.311
flat angles C4'-P-C4' energy: -17.582
flat angles P-C4'-P energy: -12.835
tors. eta vs tors. theta energy: -24.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 112
Temperature: 1.000000
Total energy: -277.222304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.222304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.222304 (E_RNA)
where:
Base-Base interactions energy: -184.081
where: short stacking energy: -73.809
Base-Backbone interact. energy: -0.177
local terms energy: -92.964431
where:
bonds (distance) C4'-P energy: -17.171
bonds (distance) P-C4' energy: -20.510
flat angles C4'-P-C4' energy: -18.429
flat angles P-C4'-P energy: -13.821
tors. eta vs tors. theta energy: -23.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 112
Temperature: 1.050000
Total energy: -276.885476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.885476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.885476 (E_RNA)
where:
Base-Base interactions energy: -189.117
where: short stacking energy: -76.494
Base-Backbone interact. energy: -0.003
local terms energy: -87.765631
where:
bonds (distance) C4'-P energy: -14.226
bonds (distance) P-C4' energy: -19.715
flat angles C4'-P-C4' energy: -16.939
flat angles P-C4'-P energy: -11.249
tors. eta vs tors. theta energy: -25.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 112
Temperature: 1.100000
Total energy: -265.590496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.590496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.590496 (E_RNA)
where:
Base-Base interactions energy: -181.969
where: short stacking energy: -74.262
Base-Backbone interact. energy: -0.145
local terms energy: -83.476779
where:
bonds (distance) C4'-P energy: -14.318
bonds (distance) P-C4' energy: -13.848
flat angles C4'-P-C4' energy: -18.596
flat angles P-C4'-P energy: -15.504
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: 6, replica: 4
=====================================
Write number: 112
Temperature: 1.150000
Total energy: -247.057320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.057320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.057320 (E_RNA)
where:
Base-Base interactions energy: -171.865
where: short stacking energy: -74.522
Base-Backbone interact. energy: -0.097
local terms energy: -75.094849
where:
bonds (distance) C4'-P energy: -11.886
bonds (distance) P-C4' energy: -17.756
flat angles C4'-P-C4' energy: -15.781
flat angles P-C4'-P energy: -8.937
tors. eta vs tors. theta energy: -20.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 112
Temperature: 1.200000
Total energy: -173.194722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.194722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.194722 (E_RNA)
where:
Base-Base interactions energy: -102.335
where: short stacking energy: -40.743
Base-Backbone interact. energy: -0.520
local terms energy: -70.339145
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -18.537
flat angles C4'-P-C4' energy: -16.119
flat angles P-C4'-P energy: -12.525
tors. eta vs tors. theta energy: -7.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 112
Temperature: 1.250000
Total energy: -96.470440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.470440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.470440 (E_RNA)
where:
Base-Base interactions energy: -35.913
where: short stacking energy: -35.913
Base-Backbone interact. energy: -0.004
local terms energy: -60.552626
where:
bonds (distance) C4'-P energy: -11.534
bonds (distance) P-C4' energy: -15.801
flat angles C4'-P-C4' energy: -17.977
flat angles P-C4'-P energy: -4.404
tors. eta vs tors. theta energy: -10.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 5
=====================================
Write number: 112
Temperature: 1.300000
Total energy: -166.980609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.980609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.980609 (E_RNA)
where:
Base-Base interactions energy: -109.476
where: short stacking energy: -41.353
Base-Backbone interact. energy: 0.539
local terms energy: -58.043117
where:
bonds (distance) C4'-P energy: -14.227
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -16.117
flat angles P-C4'-P energy: -8.903
tors. eta vs tors. theta energy: -3.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 112
Temperature: 1.350000
Total energy: -98.602839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.602839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.602839 (E_RNA)
where:
Base-Base interactions energy: -44.466
where: short stacking energy: -42.415
Base-Backbone interact. energy: -0.038
local terms energy: -54.099217
where:
bonds (distance) C4'-P energy: -9.392
bonds (distance) P-C4' energy: -12.557
flat angles C4'-P-C4' energy: -18.342
flat angles P-C4'-P energy: -6.859
tors. eta vs tors. theta energy: -6.949
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: 10
=====================================
Write number: 113
Temperature: 0.900000
Total energy: -283.964636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.964636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.964636 (E_RNA)
where:
Base-Base interactions energy: -196.467
where: short stacking energy: -78.584
Base-Backbone interact. energy: -0.736
local terms energy: -86.761193
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -20.088
flat angles C4'-P-C4' energy: -15.485
flat angles P-C4'-P energy: -13.860
tors. eta vs tors. theta energy: -23.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 113
Temperature: 0.950000
Total energy: -287.527580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.527580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.527580 (E_RNA)
where:
Base-Base interactions energy: -197.337
where: short stacking energy: -76.812
Base-Backbone interact. energy: -0.781
local terms energy: -89.409349
where:
bonds (distance) C4'-P energy: -18.014
bonds (distance) P-C4' energy: -17.781
flat angles C4'-P-C4' energy: -18.194
flat angles P-C4'-P energy: -12.780
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: 3, replica: 7
=====================================
Write number: 113
Temperature: 1.000000
Total energy: -278.219562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.219562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.219562 (E_RNA)
where:
Base-Base interactions energy: -190.516
where: short stacking energy: -77.008
Base-Backbone interact. energy: -0.055
local terms energy: -87.648353
where:
bonds (distance) C4'-P energy: -19.347
bonds (distance) P-C4' energy: -16.892
flat angles C4'-P-C4' energy: -17.369
flat angles P-C4'-P energy: -12.228
tors. eta vs tors. theta energy: -21.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 113
Temperature: 1.050000
Total energy: -283.290976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.290976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.290976 (E_RNA)
where:
Base-Base interactions energy: -192.328
where: short stacking energy: -80.192
Base-Backbone interact. energy: -0.449
local terms energy: -90.513547
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -20.398
flat angles C4'-P-C4' energy: -18.352
flat angles P-C4'-P energy: -6.982
tors. eta vs tors. theta energy: -28.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 113
Temperature: 1.100000
Total energy: -271.261007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.261007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.261007 (E_RNA)
where:
Base-Base interactions energy: -187.582
where: short stacking energy: -73.847
Base-Backbone interact. energy: -0.045
local terms energy: -83.634210
where:
bonds (distance) C4'-P energy: -14.489
bonds (distance) P-C4' energy: -18.600
flat angles C4'-P-C4' energy: -17.215
flat angles P-C4'-P energy: -11.293
tors. eta vs tors. theta energy: -22.036
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: 4
=====================================
Write number: 113
Temperature: 1.150000
Total energy: -252.245694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.245694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.245694 (E_RNA)
where:
Base-Base interactions energy: -172.350
where: short stacking energy: -78.584
Base-Backbone interact. energy: -0.866
local terms energy: -79.030121
where:
bonds (distance) C4'-P energy: -11.655
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -18.458
flat angles P-C4'-P energy: -12.631
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: 8
=====================================
Write number: 113
Temperature: 1.200000
Total energy: -154.654489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.654489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.654489 (E_RNA)
where:
Base-Base interactions energy: -97.146
where: short stacking energy: -44.267
Base-Backbone interact. energy: -0.248
local terms energy: -57.260008
where:
bonds (distance) C4'-P energy: -16.781
bonds (distance) P-C4' energy: -10.826
flat angles C4'-P-C4' energy: -14.390
flat angles P-C4'-P energy: -9.633
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: 8, replica: 5
=====================================
Write number: 113
Temperature: 1.250000
Total energy: -181.500401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.500401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.500401 (E_RNA)
where:
Base-Base interactions energy: -114.695
where: short stacking energy: -49.917
Base-Backbone interact. energy: -0.424
local terms energy: -66.381604
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -16.097
flat angles C4'-P-C4' energy: -14.701
flat angles P-C4'-P energy: -9.058
tors. eta vs tors. theta energy: -11.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 113
Temperature: 1.300000
Total energy: -101.611586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.611586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.611586 (E_RNA)
where:
Base-Base interactions energy: -50.379
where: short stacking energy: -19.923
Base-Backbone interact. energy: -0.478
local terms energy: -50.753961
where:
bonds (distance) C4'-P energy: -6.894
bonds (distance) P-C4' energy: -17.313
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -9.099
tors. eta vs tors. theta energy: -1.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 113
Temperature: 1.350000
Total energy: -85.101667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.101667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.101667 (E_RNA)
where:
Base-Base interactions energy: -32.680
where: short stacking energy: -23.920
Base-Backbone interact. energy: 0.475
local terms energy: -52.896813
where:
bonds (distance) C4'-P energy: -17.579
bonds (distance) P-C4' energy: -12.385
flat angles C4'-P-C4' energy: -11.402
flat angles P-C4'-P energy: -11.994
tors. eta vs tors. theta energy: 0.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 114
Temperature: 0.900000
Total energy: -295.134067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.134067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.134067 (E_RNA)
where:
Base-Base interactions energy: -199.362
where: short stacking energy: -84.156
Base-Backbone interact. energy: -0.499
local terms energy: -95.273014
where:
bonds (distance) C4'-P energy: -18.725
bonds (distance) P-C4' energy: -21.222
flat angles C4'-P-C4' energy: -18.331
flat angles P-C4'-P energy: -11.074
tors. eta vs tors. theta energy: -25.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 114
Temperature: 0.950000
Total energy: -291.877515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.877515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.877515 (E_RNA)
where:
Base-Base interactions energy: -197.797
where: short stacking energy: -78.221
Base-Backbone interact. energy: -0.185
local terms energy: -93.895423
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -18.595
flat angles C4'-P-C4' energy: -19.229
flat angles P-C4'-P energy: -17.044
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: 3, replica: 6
=====================================
Write number: 114
Temperature: 1.000000
Total energy: -285.107942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.107942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.107942 (E_RNA)
where:
Base-Base interactions energy: -194.829
where: short stacking energy: -75.451
Base-Backbone interact. energy: -0.804
local terms energy: -89.475025
where:
bonds (distance) C4'-P energy: -17.302
bonds (distance) P-C4' energy: -20.011
flat angles C4'-P-C4' energy: -17.234
flat angles P-C4'-P energy: -11.145
tors. eta vs tors. theta energy: -23.783
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 114
Temperature: 1.050000
Total energy: -278.237232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.237232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.237232 (E_RNA)
where:
Base-Base interactions energy: -193.244
where: short stacking energy: -80.287
Base-Backbone interact. energy: -0.243
local terms energy: -84.750227
where:
bonds (distance) C4'-P energy: -16.229
bonds (distance) P-C4' energy: -15.302
flat angles C4'-P-C4' energy: -18.252
flat angles P-C4'-P energy: -7.412
tors. eta vs tors. theta energy: -27.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 114
Temperature: 1.100000
Total energy: -265.971779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.971779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.971779 (E_RNA)
where:
Base-Base interactions energy: -179.416
where: short stacking energy: -70.245
Base-Backbone interact. energy: -1.456
local terms energy: -85.099661
where:
bonds (distance) C4'-P energy: -12.981
bonds (distance) P-C4' energy: -16.816
flat angles C4'-P-C4' energy: -17.183
flat angles P-C4'-P energy: -13.252
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: 6, replica: 2
=====================================
Write number: 114
Temperature: 1.150000
Total energy: -261.389792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.389792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.389792 (E_RNA)
where:
Base-Base interactions energy: -179.812
where: short stacking energy: -71.623
Base-Backbone interact. energy: -0.060
local terms energy: -81.517265
where:
bonds (distance) C4'-P energy: -17.137
bonds (distance) P-C4' energy: -11.827
flat angles C4'-P-C4' energy: -14.680
flat angles P-C4'-P energy: -12.403
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: 7, replica: 5
=====================================
Write number: 114
Temperature: 1.200000
Total energy: -179.862379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.862379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.862379 (E_RNA)
where:
Base-Base interactions energy: -119.007
where: short stacking energy: -60.383
Base-Backbone interact. energy: -0.983
local terms energy: -59.872556
where:
bonds (distance) C4'-P energy: -14.508
bonds (distance) P-C4' energy: -16.096
flat angles C4'-P-C4' energy: -14.962
flat angles P-C4'-P energy: -2.000
tors. eta vs tors. theta energy: -12.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 114
Temperature: 1.250000
Total energy: -130.725938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.725938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.725938 (E_RNA)
where:
Base-Base interactions energy: -75.044
where: short stacking energy: -37.515
Base-Backbone interact. energy: -0.528
local terms energy: -55.154625
where:
bonds (distance) C4'-P energy: -16.863
bonds (distance) P-C4' energy: -17.513
flat angles C4'-P-C4' energy: -7.181
flat angles P-C4'-P energy: -8.894
tors. eta vs tors. theta energy: -4.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 114
Temperature: 1.300000
Total energy: -125.247237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.247237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.247237 (E_RNA)
where:
Base-Base interactions energy: -71.297
where: short stacking energy: -46.117
Base-Backbone interact. energy: -0.115
local terms energy: -53.835265
where:
bonds (distance) C4'-P energy: -13.442
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -11.974
flat angles P-C4'-P energy: -6.523
tors. eta vs tors. theta energy: -5.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 114
Temperature: 1.350000
Total energy: -86.494853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.494853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.494853 (E_RNA)
where:
Base-Base interactions energy: -35.126
where: short stacking energy: -31.506
Base-Backbone interact. energy: 0.592
local terms energy: -51.961354
where:
bonds (distance) C4'-P energy: -17.811
bonds (distance) P-C4' energy: -13.886
flat angles C4'-P-C4' energy: -10.109
flat angles P-C4'-P energy: -7.836
tors. eta vs tors. theta energy: -2.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 115
Temperature: 0.900000
Total energy: -288.940536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.940536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.940536 (E_RNA)
where:
Base-Base interactions energy: -198.508
where: short stacking energy: -78.275
Base-Backbone interact. energy: -0.242
local terms energy: -90.191157
where:
bonds (distance) C4'-P energy: -15.865
bonds (distance) P-C4' energy: -16.704
flat angles C4'-P-C4' energy: -18.973
flat angles P-C4'-P energy: -12.882
tors. eta vs tors. theta energy: -25.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 115
Temperature: 0.950000
Total energy: -284.937687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.937687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.937687 (E_RNA)
where:
Base-Base interactions energy: -192.564
where: short stacking energy: -75.900
Base-Backbone interact. energy: -0.128
local terms energy: -92.245546
where:
bonds (distance) C4'-P energy: -17.168
bonds (distance) P-C4' energy: -16.504
flat angles C4'-P-C4' energy: -19.668
flat angles P-C4'-P energy: -17.091
tors. eta vs tors. theta energy: -21.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 115
Temperature: 1.000000
Total energy: -279.332169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.332169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.332169 (E_RNA)
where:
Base-Base interactions energy: -189.946
where: short stacking energy: -78.665
Base-Backbone interact. energy: -1.021
local terms energy: -88.365876
where:
bonds (distance) C4'-P energy: -16.267
bonds (distance) P-C4' energy: -14.436
flat angles C4'-P-C4' energy: -18.285
flat angles P-C4'-P energy: -16.904
tors. eta vs tors. theta energy: -22.474
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 115
Temperature: 1.050000
Total energy: -284.455251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.455251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.455251 (E_RNA)
where:
Base-Base interactions energy: -193.731
where: short stacking energy: -82.349
Base-Backbone interact. energy: -0.009
local terms energy: -90.716157
where:
bonds (distance) C4'-P energy: -15.190
bonds (distance) P-C4' energy: -19.042
flat angles C4'-P-C4' energy: -20.953
flat angles P-C4'-P energy: -10.821
tors. eta vs tors. theta energy: -24.710
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 115
Temperature: 1.100000
Total energy: -273.603588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.603588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.603588 (E_RNA)
where:
Base-Base interactions energy: -194.988
where: short stacking energy: -74.568
Base-Backbone interact. energy: -0.074
local terms energy: -78.541730
where:
bonds (distance) C4'-P energy: -10.430
bonds (distance) P-C4' energy: -16.186
flat angles C4'-P-C4' energy: -18.140
flat angles P-C4'-P energy: -10.931
tors. eta vs tors. theta energy: -22.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 115
Temperature: 1.150000
Total energy: -242.277315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.277315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.277315 (E_RNA)
where:
Base-Base interactions energy: -155.923
where: short stacking energy: -67.540
Base-Backbone interact. energy: -0.003
local terms energy: -86.351769
where:
bonds (distance) C4'-P energy: -16.966
bonds (distance) P-C4' energy: -18.816
flat angles C4'-P-C4' energy: -17.562
flat angles P-C4'-P energy: -11.536
tors. eta vs tors. theta energy: -21.470
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: 5
=====================================
Write number: 115
Temperature: 1.200000
Total energy: -197.231095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.231095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.231095 (E_RNA)
where:
Base-Base interactions energy: -115.557
where: short stacking energy: -56.125
Base-Backbone interact. energy: -0.009
local terms energy: -81.665112
where:
bonds (distance) C4'-P energy: -18.026
bonds (distance) P-C4' energy: -19.922
flat angles C4'-P-C4' energy: -17.072
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -15.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 115
Temperature: 1.250000
Total energy: -148.357919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.357919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.357919 (E_RNA)
where:
Base-Base interactions energy: -91.487
where: short stacking energy: -41.997
Base-Backbone interact. energy: -0.044
local terms energy: -56.827337
where:
bonds (distance) C4'-P energy: -9.991
bonds (distance) P-C4' energy: -14.306
flat angles C4'-P-C4' energy: -19.361
flat angles P-C4'-P energy: -5.965
tors. eta vs tors. theta energy: -7.204
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 115
Temperature: 1.300000
Total energy: -102.550083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.550083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.550083 (E_RNA)
where:
Base-Base interactions energy: -55.491
where: short stacking energy: -29.416
Base-Backbone interact. energy: 1.677
local terms energy: -48.736428
where:
bonds (distance) C4'-P energy: -14.321
bonds (distance) P-C4' energy: -12.785
flat angles C4'-P-C4' energy: -14.562
flat angles P-C4'-P energy: -11.057
tors. eta vs tors. theta energy: 3.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 115
Temperature: 1.350000
Total energy: -82.398902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.398902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.398902 (E_RNA)
where:
Base-Base interactions energy: -42.050
where: short stacking energy: -24.708
Base-Backbone interact. energy: -0.619
local terms energy: -39.730067
where:
bonds (distance) C4'-P energy: -13.095
bonds (distance) P-C4' energy: -8.854
flat angles C4'-P-C4' energy: -11.746
flat angles P-C4'-P energy: -9.028
tors. eta vs tors. theta energy: 2.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 116
Temperature: 0.900000
Total energy: -284.204772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.204772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.204772 (E_RNA)
where:
Base-Base interactions energy: -196.244
where: short stacking energy: -75.490
Base-Backbone interact. energy: -0.751
local terms energy: -87.209897
where:
bonds (distance) C4'-P energy: -16.718
bonds (distance) P-C4' energy: -18.569
flat angles C4'-P-C4' energy: -17.627
flat angles P-C4'-P energy: -9.701
tors. eta vs tors. theta energy: -24.595
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: 6
=====================================
Write number: 116
Temperature: 0.950000
Total energy: -279.510886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.510886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.510886 (E_RNA)
where:
Base-Base interactions energy: -193.561
where: short stacking energy: -75.634
Base-Backbone interact. energy: -0.483
local terms energy: -85.467359
where:
bonds (distance) C4'-P energy: -14.706
bonds (distance) P-C4' energy: -18.076
flat angles C4'-P-C4' energy: -17.220
flat angles P-C4'-P energy: -14.627
tors. eta vs tors. theta energy: -20.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 116
Temperature: 1.000000
Total energy: -277.094665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.094665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.094665 (E_RNA)
where:
Base-Base interactions energy: -182.282
where: short stacking energy: -77.546
Base-Backbone interact. energy: 0.336
local terms energy: -95.148423
where:
bonds (distance) C4'-P energy: -17.985
bonds (distance) P-C4' energy: -21.958
flat angles C4'-P-C4' energy: -19.623
flat angles P-C4'-P energy: -11.796
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: 4, replica: 4
=====================================
Write number: 116
Temperature: 1.050000
Total energy: -274.193245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.193245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.193245 (E_RNA)
where:
Base-Base interactions energy: -188.977
where: short stacking energy: -76.722
Base-Backbone interact. energy: -0.031
local terms energy: -85.184676
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -14.776
flat angles C4'-P-C4' energy: -18.700
flat angles P-C4'-P energy: -10.869
tors. eta vs tors. theta energy: -25.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 116
Temperature: 1.100000
Total energy: -273.114791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.114791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.114791 (E_RNA)
where:
Base-Base interactions energy: -183.448
where: short stacking energy: -85.965
Base-Backbone interact. energy: -0.865
local terms energy: -88.801691
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -17.002
flat angles C4'-P-C4' energy: -16.781
flat angles P-C4'-P energy: -13.259
tors. eta vs tors. theta energy: -26.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 116
Temperature: 1.150000
Total energy: -260.028016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.028016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.028016 (E_RNA)
where:
Base-Base interactions energy: -180.856
where: short stacking energy: -74.066
Base-Backbone interact. energy: -1.344
local terms energy: -77.828279
where:
bonds (distance) C4'-P energy: -17.082
bonds (distance) P-C4' energy: -17.998
flat angles C4'-P-C4' energy: -13.802
flat angles P-C4'-P energy: -6.775
tors. eta vs tors. theta energy: -22.171
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: 7, replica: 5
=====================================
Write number: 116
Temperature: 1.200000
Total energy: -187.842189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.842189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.842189 (E_RNA)
where:
Base-Base interactions energy: -120.894
where: short stacking energy: -53.858
Base-Backbone interact. energy: -1.224
local terms energy: -65.724194
where:
bonds (distance) C4'-P energy: -11.760
bonds (distance) P-C4' energy: -19.234
flat angles C4'-P-C4' energy: -7.883
flat angles P-C4'-P energy: -12.525
tors. eta vs tors. theta energy: -14.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 116
Temperature: 1.250000
Total energy: -165.042461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.042461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.042461 (E_RNA)
where:
Base-Base interactions energy: -98.258
where: short stacking energy: -53.777
Base-Backbone interact. energy: -0.207
local terms energy: -66.577686
where:
bonds (distance) C4'-P energy: -12.423
bonds (distance) P-C4' energy: -21.243
flat angles C4'-P-C4' energy: -18.319
flat angles P-C4'-P energy: -6.176
tors. eta vs tors. theta energy: -8.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 116
Temperature: 1.300000
Total energy: -92.155785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.155785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.155785 (E_RNA)
where:
Base-Base interactions energy: -36.490
where: short stacking energy: -28.894
Base-Backbone interact. energy: -0.051
local terms energy: -55.614343
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -20.767
flat angles C4'-P-C4' energy: -12.522
flat angles P-C4'-P energy: -2.957
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: 10, replica: 8
=====================================
Write number: 116
Temperature: 1.350000
Total energy: -90.993749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.993749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.993749 (E_RNA)
where:
Base-Base interactions energy: -30.777
where: short stacking energy: -30.377
Base-Backbone interact. energy: 0.688
local terms energy: -60.904577
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -16.475
flat angles C4'-P-C4' energy: -11.498
flat angles P-C4'-P energy: -11.047
tors. eta vs tors. theta energy: -8.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 117
Temperature: 0.900000
Total energy: -288.273029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.273029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.273029 (E_RNA)
where:
Base-Base interactions energy: -198.393
where: short stacking energy: -73.116
Base-Backbone interact. energy: -1.108
local terms energy: -88.771502
where:
bonds (distance) C4'-P energy: -18.338
bonds (distance) P-C4' energy: -17.888
flat angles C4'-P-C4' energy: -15.920
flat angles P-C4'-P energy: -10.247
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: 2, replica: 10
=====================================
Write number: 117
Temperature: 0.950000
Total energy: -285.672282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.672282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.672282 (E_RNA)
where:
Base-Base interactions energy: -195.243
where: short stacking energy: -83.661
Base-Backbone interact. energy: -0.186
local terms energy: -90.243059
where:
bonds (distance) C4'-P energy: -15.186
bonds (distance) P-C4' energy: -16.720
flat angles C4'-P-C4' energy: -18.842
flat angles P-C4'-P energy: -13.638
tors. eta vs tors. theta energy: -25.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 117
Temperature: 1.000000
Total energy: -281.566703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.566703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.566703 (E_RNA)
where:
Base-Base interactions energy: -193.220
where: short stacking energy: -71.756
Base-Backbone interact. energy: -0.236
local terms energy: -88.110822
where:
bonds (distance) C4'-P energy: -19.950
bonds (distance) P-C4' energy: -16.456
flat angles C4'-P-C4' energy: -16.569
flat angles P-C4'-P energy: -13.057
tors. eta vs tors. theta energy: -22.079
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: 117
Temperature: 1.050000
Total energy: -269.195167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.195167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.195167 (E_RNA)
where:
Base-Base interactions energy: -186.677
where: short stacking energy: -74.960
Base-Backbone interact. energy: -0.041
local terms energy: -82.476789
where:
bonds (distance) C4'-P energy: -11.759
bonds (distance) P-C4' energy: -18.815
flat angles C4'-P-C4' energy: -19.447
flat angles P-C4'-P energy: -8.614
tors. eta vs tors. theta energy: -23.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 117
Temperature: 1.100000
Total energy: -268.415490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.415490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.415490 (E_RNA)
where:
Base-Base interactions energy: -185.747
where: short stacking energy: -67.829
Base-Backbone interact. energy: -0.044
local terms energy: -82.623552
where:
bonds (distance) C4'-P energy: -15.076
bonds (distance) P-C4' energy: -17.996
flat angles C4'-P-C4' energy: -16.203
flat angles P-C4'-P energy: -9.033
tors. eta vs tors. theta energy: -24.316
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 117
Temperature: 1.150000
Total energy: -269.125328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.125328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.125328 (E_RNA)
where:
Base-Base interactions energy: -181.881
where: short stacking energy: -68.446
Base-Backbone interact. energy: -0.117
local terms energy: -87.127866
where:
bonds (distance) C4'-P energy: -17.948
bonds (distance) P-C4' energy: -16.291
flat angles C4'-P-C4' energy: -17.632
flat angles P-C4'-P energy: -12.997
tors. eta vs tors. theta energy: -22.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 117
Temperature: 1.200000
Total energy: -168.863190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.863190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.863190 (E_RNA)
where:
Base-Base interactions energy: -102.546
where: short stacking energy: -42.369
Base-Backbone interact. energy: -1.295
local terms energy: -65.021304
where:
bonds (distance) C4'-P energy: -12.743
bonds (distance) P-C4' energy: -15.269
flat angles C4'-P-C4' energy: -19.990
flat angles P-C4'-P energy: -13.186
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: 8, replica: 9
=====================================
Write number: 117
Temperature: 1.250000
Total energy: -93.521768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.521768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.521768 (E_RNA)
where:
Base-Base interactions energy: -37.345
where: short stacking energy: -27.991
Base-Backbone interact. energy: -0.130
local terms energy: -56.045852
where:
bonds (distance) C4'-P energy: -11.993
bonds (distance) P-C4' energy: -13.217
flat angles C4'-P-C4' energy: -13.701
flat angles P-C4'-P energy: -11.640
tors. eta vs tors. theta energy: -5.495
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 117
Temperature: 1.300000
Total energy: -127.722559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.722559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.722559 (E_RNA)
where:
Base-Base interactions energy: -75.476
where: short stacking energy: -45.192
Base-Backbone interact. energy: -0.112
local terms energy: -52.134612
where:
bonds (distance) C4'-P energy: -16.677
bonds (distance) P-C4' energy: -11.654
flat angles C4'-P-C4' energy: -12.327
flat angles P-C4'-P energy: -5.371
tors. eta vs tors. theta energy: -6.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 117
Temperature: 1.350000
Total energy: -103.686888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.686888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.686888 (E_RNA)
where:
Base-Base interactions energy: -36.591
where: short stacking energy: -36.591
Base-Backbone interact. energy: -0.030
local terms energy: -67.065476
where:
bonds (distance) C4'-P energy: -20.299
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -13.708
flat angles P-C4'-P energy: -8.807
tors. eta vs tors. theta energy: -9.022
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 118
Temperature: 0.900000
Total energy: -291.138968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.138968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.138968 (E_RNA)
where:
Base-Base interactions energy: -198.546
where: short stacking energy: -87.823
Base-Backbone interact. energy: -0.388
local terms energy: -92.204887
where:
bonds (distance) C4'-P energy: -17.844
bonds (distance) P-C4' energy: -17.874
flat angles C4'-P-C4' energy: -18.847
flat angles P-C4'-P energy: -10.725
tors. eta vs tors. theta energy: -26.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 118
Temperature: 0.950000
Total energy: -282.949295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.949295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.949295 (E_RNA)
where:
Base-Base interactions energy: -196.576
where: short stacking energy: -71.763
Base-Backbone interact. energy: 0.187
local terms energy: -86.560197
where:
bonds (distance) C4'-P energy: -18.816
bonds (distance) P-C4' energy: -18.435
flat angles C4'-P-C4' energy: -17.414
flat angles P-C4'-P energy: -11.254
tors. eta vs tors. theta energy: -20.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 118
Temperature: 1.000000
Total energy: -282.330449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.330449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.330449 (E_RNA)
where:
Base-Base interactions energy: -187.286
where: short stacking energy: -79.068
Base-Backbone interact. energy: -0.003
local terms energy: -95.041963
where:
bonds (distance) C4'-P energy: -18.382
bonds (distance) P-C4' energy: -19.555
flat angles C4'-P-C4' energy: -20.223
flat angles P-C4'-P energy: -11.342
tors. eta vs tors. theta energy: -25.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 118
Temperature: 1.050000
Total energy: -271.311832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.311832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.311832 (E_RNA)
where:
Base-Base interactions energy: -182.862
where: short stacking energy: -75.231
Base-Backbone interact. energy: -0.003
local terms energy: -88.447165
where:
bonds (distance) C4'-P energy: -14.746
bonds (distance) P-C4' energy: -18.826
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -14.565
tors. eta vs tors. theta energy: -24.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 118
Temperature: 1.100000
Total energy: -265.303750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.303750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.303750 (E_RNA)
where:
Base-Base interactions energy: -178.302
where: short stacking energy: -61.238
Base-Backbone interact. energy: -1.416
local terms energy: -85.585126
where:
bonds (distance) C4'-P energy: -17.894
bonds (distance) P-C4' energy: -13.335
flat angles C4'-P-C4' energy: -18.131
flat angles P-C4'-P energy: -15.090
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: 6, replica: 7
=====================================
Write number: 118
Temperature: 1.150000
Total energy: -246.996297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.996297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.996297 (E_RNA)
where:
Base-Base interactions energy: -165.991
where: short stacking energy: -71.425
Base-Backbone interact. energy: -0.244
local terms energy: -80.761160
where:
bonds (distance) C4'-P energy: -15.050
bonds (distance) P-C4' energy: -16.505
flat angles C4'-P-C4' energy: -17.083
flat angles P-C4'-P energy: -11.244
tors. eta vs tors. theta energy: -20.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 118
Temperature: 1.200000
Total energy: -102.165093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.165093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.165093 (E_RNA)
where:
Base-Base interactions energy: -35.962
where: short stacking energy: -14.477
Base-Backbone interact. energy: -0.372
local terms energy: -65.830920
where:
bonds (distance) C4'-P energy: -20.606
bonds (distance) P-C4' energy: -20.176
flat angles C4'-P-C4' energy: -11.428
flat angles P-C4'-P energy: -8.379
tors. eta vs tors. theta energy: -5.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 118
Temperature: 1.250000
Total energy: -143.033018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.033018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.033018 (E_RNA)
where:
Base-Base interactions energy: -79.797
where: short stacking energy: -37.430
Base-Backbone interact. energy: -0.112
local terms energy: -63.124541
where:
bonds (distance) C4'-P energy: -12.069
bonds (distance) P-C4' energy: -18.470
flat angles C4'-P-C4' energy: -12.038
flat angles P-C4'-P energy: -10.105
tors. eta vs tors. theta energy: -10.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 118
Temperature: 1.300000
Total energy: -81.418132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.418132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.418132 (E_RNA)
where:
Base-Base interactions energy: -30.314
where: short stacking energy: -30.314
Base-Backbone interact. energy: -1.437
local terms energy: -49.667036
where:
bonds (distance) C4'-P energy: -13.927
bonds (distance) P-C4' energy: -15.389
flat angles C4'-P-C4' energy: -11.574
flat angles P-C4'-P energy: -7.043
tors. eta vs tors. theta energy: -1.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 118
Temperature: 1.350000
Total energy: -86.988556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.988556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.988556 (E_RNA)
where:
Base-Base interactions energy: -35.286
where: short stacking energy: -21.387
Base-Backbone interact. energy: -0.430
local terms energy: -51.271965
where:
bonds (distance) C4'-P energy: -13.760
bonds (distance) P-C4' energy: -14.250
flat angles C4'-P-C4' energy: -9.277
flat angles P-C4'-P energy: -12.110
tors. eta vs tors. theta energy: -1.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 119
Temperature: 0.900000
Total energy: -284.219727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.219727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.219727 (E_RNA)
where:
Base-Base interactions energy: -188.766
where: short stacking energy: -80.810
Base-Backbone interact. energy: -1.107
local terms energy: -94.346495
where:
bonds (distance) C4'-P energy: -18.054
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -19.912
flat angles P-C4'-P energy: -16.433
tors. eta vs tors. theta energy: -24.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 119
Temperature: 0.950000
Total energy: -284.263144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.263144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.263144 (E_RNA)
where:
Base-Base interactions energy: -196.524
where: short stacking energy: -78.694
Base-Backbone interact. energy: -0.778
local terms energy: -86.960478
where:
bonds (distance) C4'-P energy: -13.922
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -17.496
flat angles P-C4'-P energy: -13.011
tors. eta vs tors. theta energy: -26.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 119
Temperature: 1.000000
Total energy: -273.408024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.408024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.408024 (E_RNA)
where:
Base-Base interactions energy: -189.347
where: short stacking energy: -75.876
Base-Backbone interact. energy: -1.974
local terms energy: -82.087209
where:
bonds (distance) C4'-P energy: -15.530
bonds (distance) P-C4' energy: -14.516
flat angles C4'-P-C4' energy: -15.717
flat angles P-C4'-P energy: -13.269
tors. eta vs tors. theta energy: -23.056
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: 2
=====================================
Write number: 119
Temperature: 1.050000
Total energy: -270.776449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.776449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.776449 (E_RNA)
where:
Base-Base interactions energy: -187.209
where: short stacking energy: -79.176
Base-Backbone interact. energy: -0.003
local terms energy: -83.564409
where:
bonds (distance) C4'-P energy: -8.999
bonds (distance) P-C4' energy: -17.375
flat angles C4'-P-C4' energy: -20.642
flat angles P-C4'-P energy: -13.115
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: 6
=====================================
Write number: 119
Temperature: 1.100000
Total energy: -272.861937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.861937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.861937 (E_RNA)
where:
Base-Base interactions energy: -186.593
where: short stacking energy: -69.204
Base-Backbone interact. energy: -0.309
local terms energy: -85.960102
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -16.863
flat angles C4'-P-C4' energy: -15.257
flat angles P-C4'-P energy: -14.261
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: 6, replica: 7
=====================================
Write number: 119
Temperature: 1.150000
Total energy: -242.861265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.861265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.861265 (E_RNA)
where:
Base-Base interactions energy: -168.835
where: short stacking energy: -70.691
Base-Backbone interact. energy: -0.947
local terms energy: -73.079019
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -13.542
flat angles C4'-P-C4' energy: -14.214
flat angles P-C4'-P energy: -8.395
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: 7, replica: 9
=====================================
Write number: 119
Temperature: 1.200000
Total energy: -117.429275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.429275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.429275 (E_RNA)
where:
Base-Base interactions energy: -53.800
where: short stacking energy: -31.914
Base-Backbone interact. energy: -0.424
local terms energy: -63.204745
where:
bonds (distance) C4'-P energy: -15.020
bonds (distance) P-C4' energy: -20.599
flat angles C4'-P-C4' energy: -15.381
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -2.773
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: 5
=====================================
Write number: 119
Temperature: 1.250000
Total energy: -147.444319 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.444319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.444319 (E_RNA)
where:
Base-Base interactions energy: -82.871
where: short stacking energy: -36.486
Base-Backbone interact. energy: -0.315
local terms energy: -64.258946
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -18.582
flat angles C4'-P-C4' energy: -14.332
flat angles P-C4'-P energy: -10.522
tors. eta vs tors. theta energy: -5.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 119
Temperature: 1.300000
Total energy: -127.035835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.035835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.035835 (E_RNA)
where:
Base-Base interactions energy: -74.220
where: short stacking energy: -34.585
Base-Backbone interact. energy: -0.567
local terms energy: -52.248590
where:
bonds (distance) C4'-P energy: -19.462
bonds (distance) P-C4' energy: -9.325
flat angles C4'-P-C4' energy: -16.106
flat angles P-C4'-P energy: -4.669
tors. eta vs tors. theta energy: -2.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 119
Temperature: 1.350000
Total energy: -84.440712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.440712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.440712 (E_RNA)
where:
Base-Base interactions energy: -32.694
where: short stacking energy: -32.654
Base-Backbone interact. energy: -0.003
local terms energy: -51.743428
where:
bonds (distance) C4'-P energy: -12.285
bonds (distance) P-C4' energy: -12.175
flat angles C4'-P-C4' energy: -11.069
flat angles P-C4'-P energy: -7.700
tors. eta vs tors. theta energy: -8.515
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 120
Temperature: 0.900000
Total energy: -283.926744 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.926744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.926744 (E_RNA)
where:
Base-Base interactions energy: -195.460
where: short stacking energy: -85.382
Base-Backbone interact. energy: -0.133
local terms energy: -88.333740
where:
bonds (distance) C4'-P energy: -15.877
bonds (distance) P-C4' energy: -18.119
flat angles C4'-P-C4' energy: -18.718
flat angles P-C4'-P energy: -12.104
tors. eta vs tors. theta energy: -23.516
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 120
Temperature: 0.950000
Total energy: -280.219276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.219276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.219276 (E_RNA)
where:
Base-Base interactions energy: -189.546
where: short stacking energy: -84.995
Base-Backbone interact. energy: -0.143
local terms energy: -90.530962
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -15.761
flat angles C4'-P-C4' energy: -20.050
flat angles P-C4'-P energy: -13.601
tors. eta vs tors. theta energy: -26.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 120
Temperature: 1.000000
Total energy: -277.606339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.606339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.606339 (E_RNA)
where:
Base-Base interactions energy: -193.660
where: short stacking energy: -79.138
Base-Backbone interact. energy: -2.701
local terms energy: -81.245586
where:
bonds (distance) C4'-P energy: -15.476
bonds (distance) P-C4' energy: -16.389
flat angles C4'-P-C4' energy: -18.147
flat angles P-C4'-P energy: -11.194
tors. eta vs tors. theta energy: -20.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 120
Temperature: 1.050000
Total energy: -276.534109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.534109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.534109 (E_RNA)
where:
Base-Base interactions energy: -194.205
where: short stacking energy: -67.938
Base-Backbone interact. energy: -0.706
local terms energy: -81.622999
where:
bonds (distance) C4'-P energy: -14.503
bonds (distance) P-C4' energy: -17.494
flat angles C4'-P-C4' energy: -16.984
flat angles P-C4'-P energy: -15.000
tors. eta vs tors. theta energy: -17.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 120
Temperature: 1.100000
Total energy: -261.345925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.345925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.345925 (E_RNA)
where:
Base-Base interactions energy: -182.091
where: short stacking energy: -80.687
Base-Backbone interact. energy: 0.088
local terms energy: -79.343170
where:
bonds (distance) C4'-P energy: -10.496
bonds (distance) P-C4' energy: -13.788
flat angles C4'-P-C4' energy: -21.569
flat angles P-C4'-P energy: -12.103
tors. eta vs tors. theta energy: -21.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 120
Temperature: 1.150000
Total energy: -267.258214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.258214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.258214 (E_RNA)
where:
Base-Base interactions energy: -185.847
where: short stacking energy: -68.741
Base-Backbone interact. energy: -1.454
local terms energy: -79.956804
where:
bonds (distance) C4'-P energy: -10.368
bonds (distance) P-C4' energy: -15.573
flat angles C4'-P-C4' energy: -21.330
flat angles P-C4'-P energy: -11.898
tors. eta vs tors. theta energy: -20.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 120
Temperature: 1.200000
Total energy: -158.018812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.018812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.018812 (E_RNA)
where:
Base-Base interactions energy: -98.143
where: short stacking energy: -50.324
Base-Backbone interact. energy: -1.347
local terms energy: -58.528761
where:
bonds (distance) C4'-P energy: -13.538
bonds (distance) P-C4' energy: -17.537
flat angles C4'-P-C4' energy: -10.932
flat angles P-C4'-P energy: -6.314
tors. eta vs tors. theta energy: -10.209
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: 9
=====================================
Write number: 120
Temperature: 1.250000
Total energy: -102.198229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.198229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.198229 (E_RNA)
where:
Base-Base interactions energy: -49.902
where: short stacking energy: -44.180
Base-Backbone interact. energy: 0.735
local terms energy: -53.030961
where:
bonds (distance) C4'-P energy: -16.735
bonds (distance) P-C4' energy: -13.783
flat angles C4'-P-C4' energy: -13.473
flat angles P-C4'-P energy: -3.472
tors. eta vs tors. theta energy: -5.569
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: 9, replica: 8
=====================================
Write number: 120
Temperature: 1.300000
Total energy: -157.213772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.213772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.213772 (E_RNA)
where:
Base-Base interactions energy: -106.704
where: short stacking energy: -48.023
Base-Backbone interact. energy: -0.607
local terms energy: -49.902386
where:
bonds (distance) C4'-P energy: -11.874
bonds (distance) P-C4' energy: -16.520
flat angles C4'-P-C4' energy: -17.162
flat angles P-C4'-P energy: -3.663
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: 1
=====================================
Write number: 120
Temperature: 1.350000
Total energy: -108.678755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.678755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.678755 (E_RNA)
where:
Base-Base interactions energy: -47.503
where: short stacking energy: -28.888
Base-Backbone interact. energy: -0.271
local terms energy: -60.904720
where:
bonds (distance) C4'-P energy: -17.028
bonds (distance) P-C4' energy: -15.568
flat angles C4'-P-C4' energy: -14.995
flat angles P-C4'-P energy: -9.053
tors. eta vs tors. theta energy: -4.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 121
Temperature: 0.900000
Total energy: -288.292186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.292186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.292186 (E_RNA)
where:
Base-Base interactions energy: -194.591
where: short stacking energy: -80.141
Base-Backbone interact. energy: -0.645
local terms energy: -93.056334
where:
bonds (distance) C4'-P energy: -20.423
bonds (distance) P-C4' energy: -20.124
flat angles C4'-P-C4' energy: -17.468
flat angles P-C4'-P energy: -10.098
tors. eta vs tors. theta energy: -24.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 121
Temperature: 0.950000
Total energy: -288.635334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.635334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.635334 (E_RNA)
where:
Base-Base interactions energy: -192.378
where: short stacking energy: -72.188
Base-Backbone interact. energy: -0.726
local terms energy: -95.531192
where:
bonds (distance) C4'-P energy: -19.782
bonds (distance) P-C4' energy: -17.340
flat angles C4'-P-C4' energy: -20.771
flat angles P-C4'-P energy: -15.437
tors. eta vs tors. theta energy: -22.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 121
Temperature: 1.000000
Total energy: -281.578634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.578634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.578634 (E_RNA)
where:
Base-Base interactions energy: -196.463
where: short stacking energy: -78.922
Base-Backbone interact. energy: -0.277
local terms energy: -84.838862
where:
bonds (distance) C4'-P energy: -12.387
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -18.135
flat angles P-C4'-P energy: -12.608
tors. eta vs tors. theta energy: -25.756
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 121
Temperature: 1.050000
Total energy: -269.512568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.512568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.512568 (E_RNA)
where:
Base-Base interactions energy: -188.177
where: short stacking energy: -66.360
Base-Backbone interact. energy: -0.184
local terms energy: -81.151229
where:
bonds (distance) C4'-P energy: -18.149
bonds (distance) P-C4' energy: -11.746
flat angles C4'-P-C4' energy: -16.599
flat angles P-C4'-P energy: -12.708
tors. eta vs tors. theta energy: -21.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 121
Temperature: 1.100000
Total energy: -264.971179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.971179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.971179 (E_RNA)
where:
Base-Base interactions energy: -188.734
where: short stacking energy: -71.781
Base-Backbone interact. energy: -0.428
local terms energy: -75.810060
where:
bonds (distance) C4'-P energy: -13.666
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -16.783
flat angles P-C4'-P energy: -10.045
tors. eta vs tors. theta energy: -21.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 121
Temperature: 1.150000
Total energy: -256.057613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.057613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.057613 (E_RNA)
where:
Base-Base interactions energy: -175.307
where: short stacking energy: -71.511
Base-Backbone interact. energy: -0.340
local terms energy: -80.410439
where:
bonds (distance) C4'-P energy: -16.014
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -16.983
flat angles P-C4'-P energy: -8.277
tors. eta vs tors. theta energy: -22.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 121
Temperature: 1.200000
Total energy: -150.206604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.206604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.206604 (E_RNA)
where:
Base-Base interactions energy: -85.403
where: short stacking energy: -44.238
Base-Backbone interact. energy: -0.604
local terms energy: -64.199466
where:
bonds (distance) C4'-P energy: -15.464
bonds (distance) P-C4' energy: -12.291
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -10.737
tors. eta vs tors. theta energy: -10.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 121
Temperature: 1.250000
Total energy: -126.820240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.820240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.820240 (E_RNA)
where:
Base-Base interactions energy: -68.868
where: short stacking energy: -32.180
Base-Backbone interact. energy: -0.309
local terms energy: -57.642965
where:
bonds (distance) C4'-P energy: -13.785
bonds (distance) P-C4' energy: -15.681
flat angles C4'-P-C4' energy: -17.574
flat angles P-C4'-P energy: -8.356
tors. eta vs tors. theta energy: -2.246
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: 9, replica: 9
=====================================
Write number: 121
Temperature: 1.300000
Total energy: -99.148158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.148158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.148158 (E_RNA)
where:
Base-Base interactions energy: -46.190
where: short stacking energy: -35.560
Base-Backbone interact. energy: -0.143
local terms energy: -52.814593
where:
bonds (distance) C4'-P energy: -12.150
bonds (distance) P-C4' energy: -19.182
flat angles C4'-P-C4' energy: -12.644
flat angles P-C4'-P energy: -4.977
tors. eta vs tors. theta energy: -3.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 121
Temperature: 1.350000
Total energy: -81.318006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.318006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.318006 (E_RNA)
where:
Base-Base interactions energy: -28.221
where: short stacking energy: -26.304
Base-Backbone interact. energy: 1.085
local terms energy: -54.181770
where:
bonds (distance) C4'-P energy: -12.080
bonds (distance) P-C4' energy: -16.814
flat angles C4'-P-C4' energy: -18.800
flat angles P-C4'-P energy: -12.513
tors. eta vs tors. theta energy: 6.025
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 122
Temperature: 0.900000
Total energy: -285.327662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.327662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.327662 (E_RNA)
where:
Base-Base interactions energy: -194.117
where: short stacking energy: -80.882
Base-Backbone interact. energy: -2.460
local terms energy: -88.750622
where:
bonds (distance) C4'-P energy: -16.103
bonds (distance) P-C4' energy: -21.271
flat angles C4'-P-C4' energy: -19.340
flat angles P-C4'-P energy: -10.955
tors. eta vs tors. theta energy: -21.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 122
Temperature: 0.950000
Total energy: -283.018451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.018451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.018451 (E_RNA)
where:
Base-Base interactions energy: -194.834
where: short stacking energy: -79.396
Base-Backbone interact. energy: -0.028
local terms energy: -88.156515
where:
bonds (distance) C4'-P energy: -14.342
bonds (distance) P-C4' energy: -16.778
flat angles C4'-P-C4' energy: -20.069
flat angles P-C4'-P energy: -12.527
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: 3, replica: 7
=====================================
Write number: 122
Temperature: 1.000000
Total energy: -277.874051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.874051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.874051 (E_RNA)
where:
Base-Base interactions energy: -199.624
where: short stacking energy: -75.760
Base-Backbone interact. energy: -0.297
local terms energy: -77.953838
where:
bonds (distance) C4'-P energy: -12.938
bonds (distance) P-C4' energy: -9.440
flat angles C4'-P-C4' energy: -17.059
flat angles P-C4'-P energy: -15.802
tors. eta vs tors. theta energy: -22.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 122
Temperature: 1.050000
Total energy: -264.853857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.853857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.853857 (E_RNA)
where:
Base-Base interactions energy: -180.514
where: short stacking energy: -72.158
Base-Backbone interact. energy: -0.839
local terms energy: -83.500235
where:
bonds (distance) C4'-P energy: -18.785
bonds (distance) P-C4' energy: -15.320
flat angles C4'-P-C4' energy: -17.058
flat angles P-C4'-P energy: -10.533
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: 5, replica: 6
=====================================
Write number: 122
Temperature: 1.100000
Total energy: -270.489682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.489682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.489682 (E_RNA)
where:
Base-Base interactions energy: -182.173
where: short stacking energy: -80.732
Base-Backbone interact. energy: -0.668
local terms energy: -87.649183
where:
bonds (distance) C4'-P energy: -18.577
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -18.465
flat angles P-C4'-P energy: -13.334
tors. eta vs tors. theta energy: -23.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 122
Temperature: 1.150000
Total energy: -262.059766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.059766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.059766 (E_RNA)
where:
Base-Base interactions energy: -179.112
where: short stacking energy: -73.251
Base-Backbone interact. energy: -0.152
local terms energy: -82.795846
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -17.721
flat angles C4'-P-C4' energy: -19.995
flat angles P-C4'-P energy: -11.862
tors. eta vs tors. theta energy: -19.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 122
Temperature: 1.200000
Total energy: -156.226126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.226126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.226126 (E_RNA)
where:
Base-Base interactions energy: -96.657
where: short stacking energy: -41.613
Base-Backbone interact. energy: -0.350
local terms energy: -59.219064
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -10.648
flat angles P-C4'-P energy: -11.795
tors. eta vs tors. theta energy: -3.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 5
=====================================
Write number: 122
Temperature: 1.250000
Total energy: -186.860044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.860044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.860044 (E_RNA)
where:
Base-Base interactions energy: -115.565
where: short stacking energy: -45.238
Base-Backbone interact. energy: -0.202
local terms energy: -71.093952
where:
bonds (distance) C4'-P energy: -18.962
bonds (distance) P-C4' energy: -15.878
flat angles C4'-P-C4' energy: -15.251
flat angles P-C4'-P energy: -4.027
tors. eta vs tors. theta energy: -16.976
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 122
Temperature: 1.300000
Total energy: -95.212078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.212078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.212078 (E_RNA)
where:
Base-Base interactions energy: -37.978
where: short stacking energy: -33.276
Base-Backbone interact. energy: -0.321
local terms energy: -56.912557
where:
bonds (distance) C4'-P energy: -15.331
bonds (distance) P-C4' energy: -11.491
flat angles C4'-P-C4' energy: -16.024
flat angles P-C4'-P energy: -12.946
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: 1
=====================================
Write number: 122
Temperature: 1.350000
Total energy: -92.766868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.766868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.766868 (E_RNA)
where:
Base-Base interactions energy: -39.180
where: short stacking energy: -30.678
Base-Backbone interact. energy: -0.063
local terms energy: -53.523915
where:
bonds (distance) C4'-P energy: -14.324
bonds (distance) P-C4' energy: -15.894
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -7.926
tors. eta vs tors. theta energy: -1.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 123
Temperature: 0.900000
Total energy: -280.856568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.856568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.856568 (E_RNA)
where:
Base-Base interactions energy: -193.410
where: short stacking energy: -77.888
Base-Backbone interact. energy: -0.819
local terms energy: -86.627619
where:
bonds (distance) C4'-P energy: -14.205
bonds (distance) P-C4' energy: -14.003
flat angles C4'-P-C4' energy: -18.386
flat angles P-C4'-P energy: -13.058
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: 2, replica: 3
=====================================
Write number: 123
Temperature: 0.950000
Total energy: -286.910452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.910452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.910452 (E_RNA)
where:
Base-Base interactions energy: -192.748
where: short stacking energy: -78.136
Base-Backbone interact. energy: -0.818
local terms energy: -93.344976
where:
bonds (distance) C4'-P energy: -17.736
bonds (distance) P-C4' energy: -18.038
flat angles C4'-P-C4' energy: -19.814
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -26.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 123
Temperature: 1.000000
Total energy: -285.885400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.885400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.885400 (E_RNA)
where:
Base-Base interactions energy: -198.277
where: short stacking energy: -73.480
Base-Backbone interact. energy: -0.530
local terms energy: -87.078834
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -19.443
flat angles C4'-P-C4' energy: -19.543
flat angles P-C4'-P energy: -14.686
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: 4, replica: 6
=====================================
Write number: 123
Temperature: 1.050000
Total energy: -262.051285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.051285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.051285 (E_RNA)
where:
Base-Base interactions energy: -179.809
where: short stacking energy: -72.884
Base-Backbone interact. energy: -0.461
local terms energy: -81.781334
where:
bonds (distance) C4'-P energy: -13.579
bonds (distance) P-C4' energy: -17.644
flat angles C4'-P-C4' energy: -18.947
flat angles P-C4'-P energy: -11.952
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: 5, replica: 4
=====================================
Write number: 123
Temperature: 1.100000
Total energy: -261.619524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.619524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.619524 (E_RNA)
where:
Base-Base interactions energy: -176.753
where: short stacking energy: -70.958
Base-Backbone interact. energy: -0.037
local terms energy: -84.829413
where:
bonds (distance) C4'-P energy: -17.475
bonds (distance) P-C4' energy: -12.633
flat angles C4'-P-C4' energy: -19.729
flat angles P-C4'-P energy: -11.623
tors. eta vs tors. theta energy: -23.370
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: 6, replica: 2
=====================================
Write number: 123
Temperature: 1.150000
Total energy: -259.698330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.698330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.698330 (E_RNA)
where:
Base-Base interactions energy: -177.331
where: short stacking energy: -69.795
Base-Backbone interact. energy: -0.878
local terms energy: -81.489734
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -17.663
flat angles C4'-P-C4' energy: -18.198
flat angles P-C4'-P energy: -11.771
tors. eta vs tors. theta energy: -18.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 123
Temperature: 1.200000
Total energy: -152.271035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.271035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.271035 (E_RNA)
where:
Base-Base interactions energy: -85.820
where: short stacking energy: -39.971
Base-Backbone interact. energy: -0.555
local terms energy: -65.895355
where:
bonds (distance) C4'-P energy: -16.019
bonds (distance) P-C4' energy: -18.713
flat angles C4'-P-C4' energy: -15.923
flat angles P-C4'-P energy: -8.355
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: 5
=====================================
Write number: 123
Temperature: 1.250000
Total energy: -206.627358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.627358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.627358 (E_RNA)
where:
Base-Base interactions energy: -136.751
where: short stacking energy: -48.409
Base-Backbone interact. energy: -0.035
local terms energy: -69.841373
where:
bonds (distance) C4'-P energy: -17.092
bonds (distance) P-C4' energy: -16.219
flat angles C4'-P-C4' energy: -13.542
flat angles P-C4'-P energy: -10.004
tors. eta vs tors. theta energy: -12.985
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: 9
=====================================
Write number: 123
Temperature: 1.300000
Total energy: -93.522031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.522031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.522031 (E_RNA)
where:
Base-Base interactions energy: -50.697
where: short stacking energy: -23.169
Base-Backbone interact. energy: 0.394
local terms energy: -43.218953
where:
bonds (distance) C4'-P energy: -8.688
bonds (distance) P-C4' energy: -13.794
flat angles C4'-P-C4' energy: -12.989
flat angles P-C4'-P energy: -10.411
tors. eta vs tors. theta energy: 2.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 123
Temperature: 1.350000
Total energy: -83.473031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.473031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.473031 (E_RNA)
where:
Base-Base interactions energy: -29.437
where: short stacking energy: -14.725
Base-Backbone interact. energy: -0.389
local terms energy: -53.646967
where:
bonds (distance) C4'-P energy: -11.307
bonds (distance) P-C4' energy: -19.336
flat angles C4'-P-C4' energy: -17.873
flat angles P-C4'-P energy: -6.040
tors. eta vs tors. theta energy: 0.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 124
Temperature: 0.900000
Total energy: -283.960137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.960137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.960137 (E_RNA)
where:
Base-Base interactions energy: -195.693
where: short stacking energy: -73.412
Base-Backbone interact. energy: -0.110
local terms energy: -88.156936
where:
bonds (distance) C4'-P energy: -18.527
bonds (distance) P-C4' energy: -13.854
flat angles C4'-P-C4' energy: -18.682
flat angles P-C4'-P energy: -13.224
tors. eta vs tors. theta energy: -23.869
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: 10
=====================================
Write number: 124
Temperature: 0.950000
Total energy: -282.990762 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.990762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.990762 (E_RNA)
where:
Base-Base interactions energy: -197.618
where: short stacking energy: -82.442
Base-Backbone interact. energy: -0.004
local terms energy: -85.369207
where:
bonds (distance) C4'-P energy: -17.166
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -18.824
flat angles P-C4'-P energy: -11.067
tors. eta vs tors. theta energy: -23.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 124
Temperature: 1.000000
Total energy: -278.831788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.831788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.831788 (E_RNA)
where:
Base-Base interactions energy: -194.302
where: short stacking energy: -72.456
Base-Backbone interact. energy: -0.279
local terms energy: -84.251416
where:
bonds (distance) C4'-P energy: -19.827
bonds (distance) P-C4' energy: -18.143
flat angles C4'-P-C4' energy: -17.575
flat angles P-C4'-P energy: -7.341
tors. eta vs tors. theta energy: -21.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 124
Temperature: 1.050000
Total energy: -272.728019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.728019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.728019 (E_RNA)
where:
Base-Base interactions energy: -189.349
where: short stacking energy: -69.660
Base-Backbone interact. energy: 0.389
local terms energy: -83.767871
where:
bonds (distance) C4'-P energy: -14.003
bonds (distance) P-C4' energy: -18.302
flat angles C4'-P-C4' energy: -20.372
flat angles P-C4'-P energy: -12.243
tors. eta vs tors. theta energy: -18.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 124
Temperature: 1.100000
Total energy: -264.205445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.205445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.205445 (E_RNA)
where:
Base-Base interactions energy: -186.786
where: short stacking energy: -68.597
Base-Backbone interact. energy: -0.719
local terms energy: -76.700464
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -16.017
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -11.123
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: 4
=====================================
Write number: 124
Temperature: 1.150000
Total energy: -259.116285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.116285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.116285 (E_RNA)
where:
Base-Base interactions energy: -177.693
where: short stacking energy: -72.464
Base-Backbone interact. energy: 0.435
local terms energy: -81.858229
where:
bonds (distance) C4'-P energy: -12.478
bonds (distance) P-C4' energy: -18.657
flat angles C4'-P-C4' energy: -19.408
flat angles P-C4'-P energy: -8.582
tors. eta vs tors. theta energy: -22.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 124
Temperature: 1.200000
Total energy: -192.136056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.136056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.136056 (E_RNA)
where:
Base-Base interactions energy: -117.873
where: short stacking energy: -56.536
Base-Backbone interact. energy: -0.010
local terms energy: -74.253488
where:
bonds (distance) C4'-P energy: -17.546
bonds (distance) P-C4' energy: -17.256
flat angles C4'-P-C4' energy: -12.952
flat angles P-C4'-P energy: -11.314
tors. eta vs tors. theta energy: -15.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 124
Temperature: 1.250000
Total energy: -141.174212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.174212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.174212 (E_RNA)
where:
Base-Base interactions energy: -88.537
where: short stacking energy: -42.032
Base-Backbone interact. energy: 0.689
local terms energy: -53.326043
where:
bonds (distance) C4'-P energy: -11.001
bonds (distance) P-C4' energy: -14.717
flat angles C4'-P-C4' energy: -12.383
flat angles P-C4'-P energy: -10.081
tors. eta vs tors. theta energy: -5.144
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: 9
=====================================
Write number: 124
Temperature: 1.300000
Total energy: -115.597607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -115.597607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -115.597607 (E_RNA)
where:
Base-Base interactions energy: -54.252
where: short stacking energy: -32.569
Base-Backbone interact. energy: -0.130
local terms energy: -61.215636
where:
bonds (distance) C4'-P energy: -15.655
bonds (distance) P-C4' energy: -20.634
flat angles C4'-P-C4' energy: -13.830
flat angles P-C4'-P energy: -9.688
tors. eta vs tors. theta energy: -1.409
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: 10, replica: 1
=====================================
Write number: 124
Temperature: 1.350000
Total energy: -92.401757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.401757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.401757 (E_RNA)
where:
Base-Base interactions energy: -38.823
where: short stacking energy: -26.334
Base-Backbone interact. energy: 1.013
local terms energy: -54.592035
where:
bonds (distance) C4'-P energy: -12.304
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -12.816
flat angles P-C4'-P energy: -12.999
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: 3
=====================================
Write number: 125
Temperature: 0.900000
Total energy: -282.066867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.066867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.066867 (E_RNA)
where:
Base-Base interactions energy: -185.978
where: short stacking energy: -77.509
Base-Backbone interact. energy: -0.043
local terms energy: -96.046048
where:
bonds (distance) C4'-P energy: -18.915
bonds (distance) P-C4' energy: -17.272
flat angles C4'-P-C4' energy: -17.419
flat angles P-C4'-P energy: -14.396
tors. eta vs tors. theta energy: -28.044
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: 10
=====================================
Write number: 125
Temperature: 0.950000
Total energy: -289.568527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.568527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.568527 (E_RNA)
where:
Base-Base interactions energy: -196.739
where: short stacking energy: -81.025
Base-Backbone interact. energy: -0.454
local terms energy: -92.375531
where:
bonds (distance) C4'-P energy: -16.913
bonds (distance) P-C4' energy: -17.946
flat angles C4'-P-C4' energy: -20.569
flat angles P-C4'-P energy: -13.030
tors. eta vs tors. theta energy: -23.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 125
Temperature: 1.000000
Total energy: -285.482439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.482439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.482439 (E_RNA)
where:
Base-Base interactions energy: -196.074
where: short stacking energy: -80.493
Base-Backbone interact. energy: 0.071
local terms energy: -89.479820
where:
bonds (distance) C4'-P energy: -18.149
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -19.342
flat angles P-C4'-P energy: -15.057
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: 4, replica: 2
=====================================
Write number: 125
Temperature: 1.050000
Total energy: -266.046359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.046359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.046359 (E_RNA)
where:
Base-Base interactions energy: -183.675
where: short stacking energy: -75.024
Base-Backbone interact. energy: -0.168
local terms energy: -82.203447
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -16.376
flat angles C4'-P-C4' energy: -15.276
flat angles P-C4'-P energy: -10.619
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: 5, replica: 7
=====================================
Write number: 125
Temperature: 1.100000
Total energy: -265.722307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.722307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.722307 (E_RNA)
where:
Base-Base interactions energy: -185.376
where: short stacking energy: -69.618
Base-Backbone interact. energy: -0.106
local terms energy: -80.240291
where:
bonds (distance) C4'-P energy: -16.756
bonds (distance) P-C4' energy: -11.103
flat angles C4'-P-C4' energy: -18.294
flat angles P-C4'-P energy: -12.901
tors. eta vs tors. theta energy: -21.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 125
Temperature: 1.150000
Total energy: -259.452676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.452676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.452676 (E_RNA)
where:
Base-Base interactions energy: -177.370
where: short stacking energy: -57.240
Base-Backbone interact. energy: -0.177
local terms energy: -81.906076
where:
bonds (distance) C4'-P energy: -11.825
bonds (distance) P-C4' energy: -19.217
flat angles C4'-P-C4' energy: -17.703
flat angles P-C4'-P energy: -11.684
tors. eta vs tors. theta energy: -21.477
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: 7, replica: 5
=====================================
Write number: 125
Temperature: 1.200000
Total energy: -185.897397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.897397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.897397 (E_RNA)
where:
Base-Base interactions energy: -116.269
where: short stacking energy: -47.326
Base-Backbone interact. energy: 0.401
local terms energy: -70.028791
where:
bonds (distance) C4'-P energy: -15.075
bonds (distance) P-C4' energy: -18.145
flat angles C4'-P-C4' energy: -16.894
flat angles P-C4'-P energy: -10.136
tors. eta vs tors. theta energy: -9.778
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: 8, replica: 9
=====================================
Write number: 125
Temperature: 1.250000
Total energy: -101.250877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.250877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.250877 (E_RNA)
where:
Base-Base interactions energy: -48.791
where: short stacking energy: -39.917
Base-Backbone interact. energy: -0.217
local terms energy: -52.243251
where:
bonds (distance) C4'-P energy: -8.572
bonds (distance) P-C4' energy: -14.215
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -13.811
tors. eta vs tors. theta energy: -2.161
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 125
Temperature: 1.300000
Total energy: -100.259641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.259641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.259641 (E_RNA)
where:
Base-Base interactions energy: -54.199
where: short stacking energy: -30.946
Base-Backbone interact. energy: -0.373
local terms energy: -45.687670
where:
bonds (distance) C4'-P energy: -9.600
bonds (distance) P-C4' energy: -16.562
flat angles C4'-P-C4' energy: -10.839
flat angles P-C4'-P energy: -1.634
tors. eta vs tors. theta energy: -7.052
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: 1
=====================================
Write number: 125
Temperature: 1.350000
Total energy: -87.221914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.221914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.221914 (E_RNA)
where:
Base-Base interactions energy: -23.300
where: short stacking energy: -24.170
Base-Backbone interact. energy: -1.029
local terms energy: -62.892933
where:
bonds (distance) C4'-P energy: -13.786
bonds (distance) P-C4' energy: -19.211
flat angles C4'-P-C4' energy: -16.991
flat angles P-C4'-P energy: -10.219
tors. eta vs tors. theta energy: -2.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 126
Temperature: 0.900000
Total energy: -290.244678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.244678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.244678 (E_RNA)
where:
Base-Base interactions energy: -200.727
where: short stacking energy: -87.789
Base-Backbone interact. energy: -0.013
local terms energy: -89.504237
where:
bonds (distance) C4'-P energy: -20.397
bonds (distance) P-C4' energy: -17.418
flat angles C4'-P-C4' energy: -17.514
flat angles P-C4'-P energy: -10.293
tors. eta vs tors. theta energy: -23.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 126
Temperature: 0.950000
Total energy: -274.670675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.670675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.670675 (E_RNA)
where:
Base-Base interactions energy: -187.726
where: short stacking energy: -74.128
Base-Backbone interact. energy: -0.258
local terms energy: -86.686601
where:
bonds (distance) C4'-P energy: -18.784
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -17.445
flat angles P-C4'-P energy: -10.197
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: 3, replica: 6
=====================================
Write number: 126
Temperature: 1.000000
Total energy: -271.353921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.353921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.353921 (E_RNA)
where:
Base-Base interactions energy: -183.581
where: short stacking energy: -71.919
Base-Backbone interact. energy: -1.638
local terms energy: -86.135073
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -20.345
flat angles C4'-P-C4' energy: -16.118
flat angles P-C4'-P energy: -13.289
tors. eta vs tors. theta energy: -20.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 126
Temperature: 1.050000
Total energy: -268.247751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.247751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.247751 (E_RNA)
where:
Base-Base interactions energy: -182.224
where: short stacking energy: -67.323
Base-Backbone interact. energy: -0.062
local terms energy: -85.961869
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -20.844
flat angles P-C4'-P energy: -15.187
tors. eta vs tors. theta energy: -18.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 126
Temperature: 1.100000
Total energy: -274.113288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.113288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.113288 (E_RNA)
where:
Base-Base interactions energy: -189.383
where: short stacking energy: -81.735
Base-Backbone interact. energy: -0.098
local terms energy: -84.632485
where:
bonds (distance) C4'-P energy: -10.112
bonds (distance) P-C4' energy: -18.657
flat angles C4'-P-C4' energy: -18.560
flat angles P-C4'-P energy: -11.048
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: 6, replica: 4
=====================================
Write number: 126
Temperature: 1.150000
Total energy: -269.317577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.317577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.317577 (E_RNA)
where:
Base-Base interactions energy: -189.158
where: short stacking energy: -75.949
Base-Backbone interact. energy: -0.016
local terms energy: -80.143287
where:
bonds (distance) C4'-P energy: -10.947
bonds (distance) P-C4' energy: -13.547
flat angles C4'-P-C4' energy: -19.736
flat angles P-C4'-P energy: -9.815
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: 7, replica: 5
=====================================
Write number: 126
Temperature: 1.200000
Total energy: -189.438347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.438347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.438347 (E_RNA)
where:
Base-Base interactions energy: -118.017
where: short stacking energy: -46.052
Base-Backbone interact. energy: -0.351
local terms energy: -71.070751
where:
bonds (distance) C4'-P energy: -19.115
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -17.847
flat angles P-C4'-P energy: -8.923
tors. eta vs tors. theta energy: -9.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 126
Temperature: 1.250000
Total energy: -91.750451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.750451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.750451 (E_RNA)
where:
Base-Base interactions energy: -36.301
where: short stacking energy: -30.003
Base-Backbone interact. energy: 0.588
local terms energy: -56.037832
where:
bonds (distance) C4'-P energy: -16.925
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -12.635
flat angles P-C4'-P energy: -5.674
tors. eta vs tors. theta energy: -6.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 126
Temperature: 1.300000
Total energy: -88.084530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.084530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.084530 (E_RNA)
where:
Base-Base interactions energy: -21.663
where: short stacking energy: -21.663
Base-Backbone interact. energy: -0.390
local terms energy: -66.031317
where:
bonds (distance) C4'-P energy: -17.593
bonds (distance) P-C4' energy: -18.091
flat angles C4'-P-C4' energy: -14.133
flat angles P-C4'-P energy: -14.702
tors. eta vs tors. theta energy: -1.512
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: 1
=====================================
Write number: 126
Temperature: 1.350000
Total energy: -84.220840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.220840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.220840 (E_RNA)
where:
Base-Base interactions energy: -26.524
where: short stacking energy: -15.107
Base-Backbone interact. energy: -0.718
local terms energy: -56.979008
where:
bonds (distance) C4'-P energy: -16.879
bonds (distance) P-C4' energy: -19.299
flat angles C4'-P-C4' energy: -10.433
flat angles P-C4'-P energy: -13.726
tors. eta vs tors. theta energy: 3.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 127
Temperature: 0.900000
Total energy: -287.426375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.426375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.426375 (E_RNA)
where:
Base-Base interactions energy: -198.696
where: short stacking energy: -83.553
Base-Backbone interact. energy: -0.096
local terms energy: -88.634721
where:
bonds (distance) C4'-P energy: -20.486
bonds (distance) P-C4' energy: -18.298
flat angles C4'-P-C4' energy: -17.742
flat angles P-C4'-P energy: -8.446
tors. eta vs tors. theta energy: -23.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 127
Temperature: 0.950000
Total energy: -282.102523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.102523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.102523 (E_RNA)
where:
Base-Base interactions energy: -193.789
where: short stacking energy: -80.525
Base-Backbone interact. energy: -2.339
local terms energy: -85.974962
where:
bonds (distance) C4'-P energy: -15.882
bonds (distance) P-C4' energy: -16.129
flat angles C4'-P-C4' energy: -17.710
flat angles P-C4'-P energy: -14.505
tors. eta vs tors. theta energy: -21.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 127
Temperature: 1.000000
Total energy: -284.191221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.191221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.191221 (E_RNA)
where:
Base-Base interactions energy: -194.207
where: short stacking energy: -75.112
Base-Backbone interact. energy: -0.018
local terms energy: -89.966232
where:
bonds (distance) C4'-P energy: -13.712
bonds (distance) P-C4' energy: -18.174
flat angles C4'-P-C4' energy: -22.344
flat angles P-C4'-P energy: -11.691
tors. eta vs tors. theta energy: -24.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 127
Temperature: 1.050000
Total energy: -278.203396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.203396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.203396 (E_RNA)
where:
Base-Base interactions energy: -197.332
where: short stacking energy: -74.456
Base-Backbone interact. energy: -0.815
local terms energy: -80.057060
where:
bonds (distance) C4'-P energy: -13.344
bonds (distance) P-C4' energy: -17.174
flat angles C4'-P-C4' energy: -15.687
flat angles P-C4'-P energy: -11.499
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: 5, replica: 7
=====================================
Write number: 127
Temperature: 1.100000
Total energy: -261.109444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.109444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.109444 (E_RNA)
where:
Base-Base interactions energy: -179.988
where: short stacking energy: -73.481
Base-Backbone interact. energy: -0.106
local terms energy: -81.015967
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -14.661
flat angles C4'-P-C4' energy: -20.192
flat angles P-C4'-P energy: -11.779
tors. eta vs tors. theta energy: -19.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 127
Temperature: 1.150000
Total energy: -271.375442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.375442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.375442 (E_RNA)
where:
Base-Base interactions energy: -186.394
where: short stacking energy: -78.573
Base-Backbone interact. energy: -1.354
local terms energy: -83.626499
where:
bonds (distance) C4'-P energy: -14.153
bonds (distance) P-C4' energy: -16.460
flat angles C4'-P-C4' energy: -18.526
flat angles P-C4'-P energy: -9.348
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: 7, replica: 5
=====================================
Write number: 127
Temperature: 1.200000
Total energy: -181.389324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.389324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.389324 (E_RNA)
where:
Base-Base interactions energy: -126.330
where: short stacking energy: -40.015
Base-Backbone interact. energy: -0.252
local terms energy: -54.807271
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -12.292
flat angles C4'-P-C4' energy: -8.283
flat angles P-C4'-P energy: -9.584
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: 8
=====================================
Write number: 127
Temperature: 1.250000
Total energy: -106.216298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.216298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.216298 (E_RNA)
where:
Base-Base interactions energy: -42.554
where: short stacking energy: -32.187
Base-Backbone interact. energy: -0.062
local terms energy: -63.599746
where:
bonds (distance) C4'-P energy: -12.209
bonds (distance) P-C4' energy: -19.132
flat angles C4'-P-C4' energy: -17.825
flat angles P-C4'-P energy: -9.678
tors. eta vs tors. theta energy: -4.756
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: 9
=====================================
Write number: 127
Temperature: 1.300000
Total energy: -84.622016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.622016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.622016 (E_RNA)
where:
Base-Base interactions energy: -27.198
where: short stacking energy: -23.692
Base-Backbone interact. energy: -0.186
local terms energy: -57.237911
where:
bonds (distance) C4'-P energy: -16.892
bonds (distance) P-C4' energy: -19.552
flat angles C4'-P-C4' energy: -10.670
flat angles P-C4'-P energy: -10.203
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: 1
=====================================
Write number: 127
Temperature: 1.350000
Total energy: -90.642094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.642094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.642094 (E_RNA)
where:
Base-Base interactions energy: -45.201
where: short stacking energy: -30.317
Base-Backbone interact. energy: -0.781
local terms energy: -44.659794
where:
bonds (distance) C4'-P energy: -13.254
bonds (distance) P-C4' energy: -14.109
flat angles C4'-P-C4' energy: -11.798
flat angles P-C4'-P energy: -0.092
tors. eta vs tors. theta energy: -5.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 128
Temperature: 0.900000
Total energy: -299.143233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.143233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.143233 (E_RNA)
where:
Base-Base interactions energy: -199.980
where: short stacking energy: -81.387
Base-Backbone interact. energy: -0.889
local terms energy: -98.273757
where:
bonds (distance) C4'-P energy: -18.618
bonds (distance) P-C4' energy: -18.840
flat angles C4'-P-C4' energy: -19.452
flat angles P-C4'-P energy: -12.764
tors. eta vs tors. theta energy: -28.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 128
Temperature: 0.950000
Total energy: -287.901123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.901123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.901123 (E_RNA)
where:
Base-Base interactions energy: -197.859
where: short stacking energy: -83.162
Base-Backbone interact. energy: -0.001
local terms energy: -90.040519
where:
bonds (distance) C4'-P energy: -18.407
bonds (distance) P-C4' energy: -12.654
flat angles C4'-P-C4' energy: -20.615
flat angles P-C4'-P energy: -12.779
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: 3, replica: 2
=====================================
Write number: 128
Temperature: 1.000000
Total energy: -278.300943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.300943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.300943 (E_RNA)
where:
Base-Base interactions energy: -193.946
where: short stacking energy: -73.292
Base-Backbone interact. energy: -0.842
local terms energy: -83.512579
where:
bonds (distance) C4'-P energy: -17.171
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -19.537
flat angles P-C4'-P energy: -9.355
tors. eta vs tors. theta energy: -22.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 128
Temperature: 1.050000
Total energy: -273.632929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.632929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.632929 (E_RNA)
where:
Base-Base interactions energy: -188.079
where: short stacking energy: -75.673
Base-Backbone interact. energy: -1.561
local terms energy: -83.992972
where:
bonds (distance) C4'-P energy: -16.913
bonds (distance) P-C4' energy: -12.071
flat angles C4'-P-C4' energy: -14.113
flat angles P-C4'-P energy: -16.669
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: 5, replica: 4
=====================================
Write number: 128
Temperature: 1.100000
Total energy: -268.958264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.958264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.958264 (E_RNA)
where:
Base-Base interactions energy: -178.998
where: short stacking energy: -72.666
Base-Backbone interact. energy: -0.111
local terms energy: -89.849177
where:
bonds (distance) C4'-P energy: -19.690
bonds (distance) P-C4' energy: -17.059
flat angles C4'-P-C4' energy: -18.586
flat angles P-C4'-P energy: -14.175
tors. eta vs tors. theta energy: -20.339
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: 6, replica: 7
=====================================
Write number: 128
Temperature: 1.150000
Total energy: -261.399773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.399773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.399773 (E_RNA)
where:
Base-Base interactions energy: -185.436
where: short stacking energy: -73.223
Base-Backbone interact. energy: -0.051
local terms energy: -75.913186
where:
bonds (distance) C4'-P energy: -8.951
bonds (distance) P-C4' energy: -17.790
flat angles C4'-P-C4' energy: -17.186
flat angles P-C4'-P energy: -12.982
tors. eta vs tors. theta energy: -19.004
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 128
Temperature: 1.200000
Total energy: -179.213545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.213545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.213545 (E_RNA)
where:
Base-Base interactions energy: -113.397
where: short stacking energy: -49.604
Base-Backbone interact. energy: -0.468
local terms energy: -65.348977
where:
bonds (distance) C4'-P energy: -16.916
bonds (distance) P-C4' energy: -16.962
flat angles C4'-P-C4' energy: -13.616
flat angles P-C4'-P energy: -10.106
tors. eta vs tors. theta energy: -7.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 128
Temperature: 1.250000
Total energy: -104.329167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.329167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.329167 (E_RNA)
where:
Base-Base interactions energy: -44.444
where: short stacking energy: -20.384
Base-Backbone interact. energy: -0.288
local terms energy: -59.597117
where:
bonds (distance) C4'-P energy: -18.209
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -15.369
flat angles P-C4'-P energy: -12.399
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: 9, replica: 1
=====================================
Write number: 128
Temperature: 1.300000
Total energy: -108.836670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.836670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.836670 (E_RNA)
where:
Base-Base interactions energy: -53.679
where: short stacking energy: -27.199
Base-Backbone interact. energy: -0.402
local terms energy: -54.756383
where:
bonds (distance) C4'-P energy: -13.530
bonds (distance) P-C4' energy: -14.324
flat angles C4'-P-C4' energy: -12.393
flat angles P-C4'-P energy: -7.670
tors. eta vs tors. theta energy: -6.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 128
Temperature: 1.350000
Total energy: -85.035495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.035495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.035495 (E_RNA)
where:
Base-Base interactions energy: -30.237
where: short stacking energy: -30.237
Base-Backbone interact. energy: -0.041
local terms energy: -54.757843
where:
bonds (distance) C4'-P energy: -17.849
bonds (distance) P-C4' energy: -13.161
flat angles C4'-P-C4' energy: -18.684
flat angles P-C4'-P energy: -2.064
tors. eta vs tors. theta energy: -3.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 129
Temperature: 0.900000
Total energy: -289.620197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.620197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.620197 (E_RNA)
where:
Base-Base interactions energy: -195.013
where: short stacking energy: -77.886
Base-Backbone interact. energy: -0.037
local terms energy: -94.570396
where:
bonds (distance) C4'-P energy: -17.549
bonds (distance) P-C4' energy: -19.377
flat angles C4'-P-C4' energy: -18.238
flat angles P-C4'-P energy: -12.741
tors. eta vs tors. theta energy: -26.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 129
Temperature: 0.950000
Total energy: -286.462417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.462417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.462417 (E_RNA)
where:
Base-Base interactions energy: -198.461
where: short stacking energy: -79.358
Base-Backbone interact. energy: -0.198
local terms energy: -87.803359
where:
bonds (distance) C4'-P energy: -12.806
bonds (distance) P-C4' energy: -20.341
flat angles C4'-P-C4' energy: -16.916
flat angles P-C4'-P energy: -14.103
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: 3, replica: 10
=====================================
Write number: 129
Temperature: 1.000000
Total energy: -277.218675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.218675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.218675 (E_RNA)
where:
Base-Base interactions energy: -187.016
where: short stacking energy: -71.190
Base-Backbone interact. energy: -0.824
local terms energy: -89.378768
where:
bonds (distance) C4'-P energy: -17.181
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -21.669
flat angles P-C4'-P energy: -10.757
tors. eta vs tors. theta energy: -22.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 129
Temperature: 1.050000
Total energy: -267.418152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.418152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.418152 (E_RNA)
where:
Base-Base interactions energy: -185.786
where: short stacking energy: -78.913
Base-Backbone interact. energy: -0.026
local terms energy: -81.606098
where:
bonds (distance) C4'-P energy: -14.856
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -17.513
flat angles P-C4'-P energy: -12.728
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: 5, replica: 4
=====================================
Write number: 129
Temperature: 1.100000
Total energy: -266.757287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.757287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.757287 (E_RNA)
where:
Base-Base interactions energy: -179.316
where: short stacking energy: -74.293
Base-Backbone interact. energy: -0.024
local terms energy: -87.417335
where:
bonds (distance) C4'-P energy: -16.205
bonds (distance) P-C4' energy: -14.272
flat angles C4'-P-C4' energy: -20.109
flat angles P-C4'-P energy: -13.056
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: 6, replica: 7
=====================================
Write number: 129
Temperature: 1.150000
Total energy: -264.667443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.667443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.667443 (E_RNA)
where:
Base-Base interactions energy: -191.342
where: short stacking energy: -68.217
Base-Backbone interact. energy: -0.023
local terms energy: -73.301744
where:
bonds (distance) C4'-P energy: -11.629
bonds (distance) P-C4' energy: -13.532
flat angles C4'-P-C4' energy: -14.913
flat angles P-C4'-P energy: -11.710
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: 7, replica: 5
=====================================
Write number: 129
Temperature: 1.200000
Total energy: -210.032053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.032053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.032053 (E_RNA)
where:
Base-Base interactions energy: -135.991
where: short stacking energy: -55.480
Base-Backbone interact. energy: -0.673
local terms energy: -73.368567
where:
bonds (distance) C4'-P energy: -14.973
bonds (distance) P-C4' energy: -17.489
flat angles C4'-P-C4' energy: -17.828
flat angles P-C4'-P energy: -14.449
tors. eta vs tors. theta energy: -8.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 129
Temperature: 1.250000
Total energy: -108.729305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.729305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.729305 (E_RNA)
where:
Base-Base interactions energy: -44.081
where: short stacking energy: -43.159
Base-Backbone interact. energy: 1.032
local terms energy: -65.680683
where:
bonds (distance) C4'-P energy: -12.056
bonds (distance) P-C4' energy: -20.976
flat angles C4'-P-C4' energy: -18.339
flat angles P-C4'-P energy: -9.339
tors. eta vs tors. theta energy: -4.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 129
Temperature: 1.300000
Total energy: -109.311328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.311328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.311328 (E_RNA)
where:
Base-Base interactions energy: -42.225
where: short stacking energy: -28.982
Base-Backbone interact. energy: -0.909
local terms energy: -66.176589
where:
bonds (distance) C4'-P energy: -15.196
bonds (distance) P-C4' energy: -19.332
flat angles C4'-P-C4' energy: -12.548
flat angles P-C4'-P energy: -9.231
tors. eta vs tors. theta energy: -9.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 129
Temperature: 1.350000
Total energy: -90.263048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.263048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.263048 (E_RNA)
where:
Base-Base interactions energy: -25.469
where: short stacking energy: -25.469
Base-Backbone interact. energy: -0.190
local terms energy: -64.603510
where:
bonds (distance) C4'-P energy: -11.895
bonds (distance) P-C4' energy: -16.222
flat angles C4'-P-C4' energy: -20.034
flat angles P-C4'-P energy: -13.239
tors. eta vs tors. theta energy: -3.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 130
Temperature: 0.900000
Total energy: -294.650863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.650863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.650863 (E_RNA)
where:
Base-Base interactions energy: -209.501
where: short stacking energy: -89.554
Base-Backbone interact. energy: -0.142
local terms energy: -85.007931
where:
bonds (distance) C4'-P energy: -14.820
bonds (distance) P-C4' energy: -16.280
flat angles C4'-P-C4' energy: -18.698
flat angles P-C4'-P energy: -9.584
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: 2
=====================================
Write number: 130
Temperature: 0.950000
Total energy: -278.161258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.161258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.161258 (E_RNA)
where:
Base-Base interactions energy: -187.507
where: short stacking energy: -74.080
Base-Backbone interact. energy: -0.237
local terms energy: -90.417163
where:
bonds (distance) C4'-P energy: -17.376
bonds (distance) P-C4' energy: -22.234
flat angles C4'-P-C4' energy: -14.567
flat angles P-C4'-P energy: -13.966
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: 3, replica: 10
=====================================
Write number: 130
Temperature: 1.000000
Total energy: -278.728994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.728994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.728994 (E_RNA)
where:
Base-Base interactions energy: -194.287
where: short stacking energy: -74.499
Base-Backbone interact. energy: -0.286
local terms energy: -84.155456
where:
bonds (distance) C4'-P energy: -14.110
bonds (distance) P-C4' energy: -18.619
flat angles C4'-P-C4' energy: -19.114
flat angles P-C4'-P energy: -10.368
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: 4, replica: 3
=====================================
Write number: 130
Temperature: 1.050000
Total energy: -278.388810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.388810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.388810 (E_RNA)
where:
Base-Base interactions energy: -187.713
where: short stacking energy: -77.114
Base-Backbone interact. energy: -0.326
local terms energy: -90.349646
where:
bonds (distance) C4'-P energy: -16.101
bonds (distance) P-C4' energy: -18.151
flat angles C4'-P-C4' energy: -20.479
flat angles P-C4'-P energy: -12.184
tors. eta vs tors. theta energy: -23.434
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: 5, replica: 7
=====================================
Write number: 130
Temperature: 1.100000
Total energy: -264.439542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.439542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.439542 (E_RNA)
where:
Base-Base interactions energy: -180.417
where: short stacking energy: -71.867
Base-Backbone interact. energy: -0.188
local terms energy: -83.834498
where:
bonds (distance) C4'-P energy: -14.929
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -19.534
flat angles P-C4'-P energy: -13.032
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: 6, replica: 4
=====================================
Write number: 130
Temperature: 1.150000
Total energy: -260.874540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.874540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.874540 (E_RNA)
where:
Base-Base interactions energy: -181.564
where: short stacking energy: -83.733
Base-Backbone interact. energy: -0.008
local terms energy: -79.302252
where:
bonds (distance) C4'-P energy: -12.863
bonds (distance) P-C4' energy: -17.865
flat angles C4'-P-C4' energy: -15.672
flat angles P-C4'-P energy: -8.866
tors. eta vs tors. theta energy: -24.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 130
Temperature: 1.200000
Total energy: -186.029146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.029146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.029146 (E_RNA)
where:
Base-Base interactions energy: -132.215
where: short stacking energy: -46.638
Base-Backbone interact. energy: -0.855
local terms energy: -52.959944
where:
bonds (distance) C4'-P energy: -9.996
bonds (distance) P-C4' energy: -13.187
flat angles C4'-P-C4' energy: -13.806
flat angles P-C4'-P energy: -11.254
tors. eta vs tors. theta energy: -4.717
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 130
Temperature: 1.250000
Total energy: -127.582433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.582433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.582433 (E_RNA)
where:
Base-Base interactions energy: -58.342
where: short stacking energy: -52.378
Base-Backbone interact. energy: 0.150
local terms energy: -69.390102
where:
bonds (distance) C4'-P energy: -14.815
bonds (distance) P-C4' energy: -16.698
flat angles C4'-P-C4' energy: -16.399
flat angles P-C4'-P energy: -10.756
tors. eta vs tors. theta energy: -10.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 130
Temperature: 1.300000
Total energy: -99.944911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.944911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.944911 (E_RNA)
where:
Base-Base interactions energy: -32.870
where: short stacking energy: -32.870
Base-Backbone interact. energy: -0.197
local terms energy: -66.877551
where:
bonds (distance) C4'-P energy: -19.116
bonds (distance) P-C4' energy: -15.685
flat angles C4'-P-C4' energy: -17.526
flat angles P-C4'-P energy: -10.637
tors. eta vs tors. theta energy: -3.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 130
Temperature: 1.350000
Total energy: -83.728290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.728290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.728290 (E_RNA)
where:
Base-Base interactions energy: -29.849
where: short stacking energy: -25.713
Base-Backbone interact. energy: -0.427
local terms energy: -53.452073
where:
bonds (distance) C4'-P energy: -15.829
bonds (distance) P-C4' energy: -15.083
flat angles C4'-P-C4' energy: -10.976
flat angles P-C4'-P energy: -6.296
tors. eta vs tors. theta energy: -5.269
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: 6
=====================================
Write number: 131
Temperature: 0.900000
Total energy: -286.418064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.418064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.418064 (E_RNA)
where:
Base-Base interactions energy: -194.078
where: short stacking energy: -83.560
Base-Backbone interact. energy: -0.478
local terms energy: -91.862009
where:
bonds (distance) C4'-P energy: -15.374
bonds (distance) P-C4' energy: -18.282
flat angles C4'-P-C4' energy: -19.947
flat angles P-C4'-P energy: -12.465
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: 2, replica: 2
=====================================
Write number: 131
Temperature: 0.950000
Total energy: -280.245293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.245293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.245293 (E_RNA)
where:
Base-Base interactions energy: -196.354
where: short stacking energy: -77.004
Base-Backbone interact. energy: -0.224
local terms energy: -83.666904
where:
bonds (distance) C4'-P energy: -15.853
bonds (distance) P-C4' energy: -20.070
flat angles C4'-P-C4' energy: -15.838
flat angles P-C4'-P energy: -12.188
tors. eta vs tors. theta energy: -19.718
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 131
Temperature: 1.000000
Total energy: -269.361298 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.361298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.361298 (E_RNA)
where:
Base-Base interactions energy: -185.909
where: short stacking energy: -77.779
Base-Backbone interact. energy: 0.050
local terms energy: -83.502521
where:
bonds (distance) C4'-P energy: -18.377
bonds (distance) P-C4' energy: -16.279
flat angles C4'-P-C4' energy: -14.933
flat angles P-C4'-P energy: -13.533
tors. eta vs tors. theta energy: -20.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 131
Temperature: 1.050000
Total energy: -272.391101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.391101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.391101 (E_RNA)
where:
Base-Base interactions energy: -191.436
where: short stacking energy: -79.828
Base-Backbone interact. energy: -0.058
local terms energy: -80.897164
where:
bonds (distance) C4'-P energy: -18.216
bonds (distance) P-C4' energy: -9.848
flat angles C4'-P-C4' energy: -17.141
flat angles P-C4'-P energy: -11.633
tors. eta vs tors. theta energy: -24.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 131
Temperature: 1.100000
Total energy: -273.665018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.665018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.665018 (E_RNA)
where:
Base-Base interactions energy: -195.268
where: short stacking energy: -82.446
Base-Backbone interact. energy: -0.001
local terms energy: -78.396231
where:
bonds (distance) C4'-P energy: -13.008
bonds (distance) P-C4' energy: -12.352
flat angles C4'-P-C4' energy: -17.095
flat angles P-C4'-P energy: -11.088
tors. eta vs tors. theta energy: -24.853
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 131
Temperature: 1.150000
Total energy: -267.322040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.322040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.322040 (E_RNA)
where:
Base-Base interactions energy: -191.611
where: short stacking energy: -72.199
Base-Backbone interact. energy: -0.124
local terms energy: -75.586840
where:
bonds (distance) C4'-P energy: -15.229
bonds (distance) P-C4' energy: -14.127
flat angles C4'-P-C4' energy: -18.456
flat angles P-C4'-P energy: -9.848
tors. eta vs tors. theta energy: -17.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 131
Temperature: 1.200000
Total energy: -175.920621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.920621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.920621 (E_RNA)
where:
Base-Base interactions energy: -111.273
where: short stacking energy: -50.087
Base-Backbone interact. energy: -0.217
local terms energy: -64.430413
where:
bonds (distance) C4'-P energy: -15.723
bonds (distance) P-C4' energy: -12.764
flat angles C4'-P-C4' energy: -12.391
flat angles P-C4'-P energy: -13.850
tors. eta vs tors. theta energy: -9.702
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: 8
=====================================
Write number: 131
Temperature: 1.250000
Total energy: -117.769769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.769769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.769769 (E_RNA)
where:
Base-Base interactions energy: -47.336
where: short stacking energy: -29.280
Base-Backbone interact. energy: -0.109
local terms energy: -70.325126
where:
bonds (distance) C4'-P energy: -12.296
bonds (distance) P-C4' energy: -19.488
flat angles C4'-P-C4' energy: -19.949
flat angles P-C4'-P energy: -7.274
tors. eta vs tors. theta energy: -11.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 131
Temperature: 1.300000
Total energy: -94.524163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.524163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.524163 (E_RNA)
where:
Base-Base interactions energy: -45.749
where: short stacking energy: -40.442
Base-Backbone interact. energy: 0.320
local terms energy: -49.094989
where:
bonds (distance) C4'-P energy: -8.695
bonds (distance) P-C4' energy: -17.361
flat angles C4'-P-C4' energy: -9.785
flat angles P-C4'-P energy: -7.485
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: 10, replica: 9
=====================================
Write number: 131
Temperature: 1.350000
Total energy: -96.946887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.946887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.946887 (E_RNA)
where:
Base-Base interactions energy: -51.853
where: short stacking energy: -23.099
Base-Backbone interact. energy: -0.093
local terms energy: -45.000537
where:
bonds (distance) C4'-P energy: -10.721
bonds (distance) P-C4' energy: -16.106
flat angles C4'-P-C4' energy: -11.137
flat angles P-C4'-P energy: -7.773
tors. eta vs tors. theta energy: 0.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 132
Temperature: 0.900000
Total energy: -287.832109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.832109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.832109 (E_RNA)
where:
Base-Base interactions energy: -194.371
where: short stacking energy: -74.951
Base-Backbone interact. energy: -1.870
local terms energy: -91.591085
where:
bonds (distance) C4'-P energy: -17.470
bonds (distance) P-C4' energy: -16.862
flat angles C4'-P-C4' energy: -18.607
flat angles P-C4'-P energy: -14.564
tors. eta vs tors. theta energy: -24.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 132
Temperature: 0.950000
Total energy: -280.038812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.038812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.038812 (E_RNA)
where:
Base-Base interactions energy: -193.402
where: short stacking energy: -80.338
Base-Backbone interact. energy: -0.177
local terms energy: -86.459130
where:
bonds (distance) C4'-P energy: -20.108
bonds (distance) P-C4' energy: -15.965
flat angles C4'-P-C4' energy: -16.515
flat angles P-C4'-P energy: -9.196
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: 3
=====================================
Write number: 132
Temperature: 1.000000
Total energy: -275.309629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.309629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.309629 (E_RNA)
where:
Base-Base interactions energy: -192.172
where: short stacking energy: -72.789
Base-Backbone interact. energy: -1.021
local terms energy: -82.117115
where:
bonds (distance) C4'-P energy: -18.167
bonds (distance) P-C4' energy: -15.901
flat angles C4'-P-C4' energy: -17.016
flat angles P-C4'-P energy: -7.005
tors. eta vs tors. theta energy: -24.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 132
Temperature: 1.050000
Total energy: -272.103531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.103531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.103531 (E_RNA)
where:
Base-Base interactions energy: -185.293
where: short stacking energy: -75.348
Base-Backbone interact. energy: -1.518
local terms energy: -85.292411
where:
bonds (distance) C4'-P energy: -16.639
bonds (distance) P-C4' energy: -18.323
flat angles C4'-P-C4' energy: -18.598
flat angles P-C4'-P energy: -9.627
tors. eta vs tors. theta energy: -22.105
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 132
Temperature: 1.100000
Total energy: -264.028317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.028317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.028317 (E_RNA)
where:
Base-Base interactions energy: -189.126
where: short stacking energy: -73.322
Base-Backbone interact. energy: -0.268
local terms energy: -74.634976
where:
bonds (distance) C4'-P energy: -14.370
bonds (distance) P-C4' energy: -16.974
flat angles C4'-P-C4' energy: -17.679
flat angles P-C4'-P energy: -6.916
tors. eta vs tors. theta energy: -18.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 132
Temperature: 1.150000
Total energy: -259.713669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.713669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.713669 (E_RNA)
where:
Base-Base interactions energy: -166.264
where: short stacking energy: -66.771
Base-Backbone interact. energy: -1.129
local terms energy: -92.320695
where:
bonds (distance) C4'-P energy: -18.634
bonds (distance) P-C4' energy: -18.551
flat angles C4'-P-C4' energy: -17.032
flat angles P-C4'-P energy: -13.117
tors. eta vs tors. theta energy: -24.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 132
Temperature: 1.200000
Total energy: -180.473886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.473886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.473886 (E_RNA)
where:
Base-Base interactions energy: -122.429
where: short stacking energy: -47.396
Base-Backbone interact. energy: -1.633
local terms energy: -56.412468
where:
bonds (distance) C4'-P energy: -10.268
bonds (distance) P-C4' energy: -17.155
flat angles C4'-P-C4' energy: -13.401
flat angles P-C4'-P energy: -10.804
tors. eta vs tors. theta energy: -4.784
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 132
Temperature: 1.250000
Total energy: -98.396980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.396980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.396980 (E_RNA)
where:
Base-Base interactions energy: -38.506
where: short stacking energy: -24.094
Base-Backbone interact. energy: -0.330
local terms energy: -59.561181
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -15.493
flat angles C4'-P-C4' energy: -16.866
flat angles P-C4'-P energy: -8.844
tors. eta vs tors. theta energy: -2.765
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: 9
=====================================
Write number: 132
Temperature: 1.300000
Total energy: -105.200130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.200130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.200130 (E_RNA)
where:
Base-Base interactions energy: -38.804
where: short stacking energy: -29.910
Base-Backbone interact. energy: -0.131
local terms energy: -66.264694
where:
bonds (distance) C4'-P energy: -17.695
bonds (distance) P-C4' energy: -16.020
flat angles C4'-P-C4' energy: -17.899
flat angles P-C4'-P energy: -10.823
tors. eta vs tors. theta energy: -3.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 132
Temperature: 1.350000
Total energy: -90.689570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.689570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.689570 (E_RNA)
where:
Base-Base interactions energy: -34.862
where: short stacking energy: -29.692
Base-Backbone interact. energy: -0.326
local terms energy: -55.501714
where:
bonds (distance) C4'-P energy: -19.000
bonds (distance) P-C4' energy: -14.312
flat angles C4'-P-C4' energy: -13.398
flat angles P-C4'-P energy: -7.836
tors. eta vs tors. theta energy: -0.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 133
Temperature: 0.900000
Total energy: -288.200231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.200231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.200231 (E_RNA)
where:
Base-Base interactions energy: -198.459
where: short stacking energy: -76.558
Base-Backbone interact. energy: -1.545
local terms energy: -88.196819
where:
bonds (distance) C4'-P energy: -18.222
bonds (distance) P-C4' energy: -18.902
flat angles C4'-P-C4' energy: -15.569
flat angles P-C4'-P energy: -15.005
tors. eta vs tors. theta energy: -20.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 133
Temperature: 0.950000
Total energy: -282.436522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.436522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.436522 (E_RNA)
where:
Base-Base interactions energy: -191.217
where: short stacking energy: -71.591
Base-Backbone interact. energy: -1.152
local terms energy: -90.068268
where:
bonds (distance) C4'-P energy: -19.050
bonds (distance) P-C4' energy: -14.002
flat angles C4'-P-C4' energy: -18.510
flat angles P-C4'-P energy: -13.130
tors. eta vs tors. theta energy: -25.376
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 133
Temperature: 1.000000
Total energy: -273.382558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.382558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.382558 (E_RNA)
where:
Base-Base interactions energy: -187.022
where: short stacking energy: -77.176
Base-Backbone interact. energy: -0.119
local terms energy: -86.241929
where:
bonds (distance) C4'-P energy: -17.083
bonds (distance) P-C4' energy: -15.986
flat angles C4'-P-C4' energy: -17.686
flat angles P-C4'-P energy: -11.355
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: 4, replica: 10
=====================================
Write number: 133
Temperature: 1.050000
Total energy: -278.653866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.653866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.653866 (E_RNA)
where:
Base-Base interactions energy: -192.835
where: short stacking energy: -73.429
Base-Backbone interact. energy: -1.233
local terms energy: -84.586101
where:
bonds (distance) C4'-P energy: -18.519
bonds (distance) P-C4' energy: -14.847
flat angles C4'-P-C4' energy: -17.723
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: -24.034
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: 4
=====================================
Write number: 133
Temperature: 1.100000
Total energy: -265.055980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.055980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.055980 (E_RNA)
where:
Base-Base interactions energy: -182.142
where: short stacking energy: -74.978
Base-Backbone interact. energy: -0.385
local terms energy: -82.528983
where:
bonds (distance) C4'-P energy: -11.199
bonds (distance) P-C4' energy: -18.848
flat angles C4'-P-C4' energy: -20.123
flat angles P-C4'-P energy: -10.400
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: 6, replica: 5
=====================================
Write number: 133
Temperature: 1.150000
Total energy: -180.665085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.665085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.665085 (E_RNA)
where:
Base-Base interactions energy: -107.421
where: short stacking energy: -53.461
Base-Backbone interact. energy: 3.056
local terms energy: -76.300775
where:
bonds (distance) C4'-P energy: -18.076
bonds (distance) P-C4' energy: -18.744
flat angles C4'-P-C4' energy: -17.022
flat angles P-C4'-P energy: -9.111
tors. eta vs tors. theta energy: -13.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 133
Temperature: 1.200000
Total energy: -192.662142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.662142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.662142 (E_RNA)
where:
Base-Base interactions energy: -120.156
where: short stacking energy: -48.976
Base-Backbone interact. energy: -0.386
local terms energy: -72.120239
where:
bonds (distance) C4'-P energy: -13.735
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -19.203
flat angles P-C4'-P energy: -7.677
tors. eta vs tors. theta energy: -15.402
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: 9
=====================================
Write number: 133
Temperature: 1.250000
Total energy: -99.198331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.198331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.198331 (E_RNA)
where:
Base-Base interactions energy: -38.417
where: short stacking energy: -35.718
Base-Backbone interact. energy: -0.415
local terms energy: -60.366717
where:
bonds (distance) C4'-P energy: -13.762
bonds (distance) P-C4' energy: -21.075
flat angles C4'-P-C4' energy: -13.465
flat angles P-C4'-P energy: -8.337
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: 8
=====================================
Write number: 133
Temperature: 1.300000
Total energy: -88.708544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.708544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.708544 (E_RNA)
where:
Base-Base interactions energy: -32.470
where: short stacking energy: -26.170
Base-Backbone interact. energy: -0.185
local terms energy: -56.053861
where:
bonds (distance) C4'-P energy: -14.670
bonds (distance) P-C4' energy: -17.473
flat angles C4'-P-C4' energy: -12.195
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -0.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 133
Temperature: 1.350000
Total energy: -89.128945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.128945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.128945 (E_RNA)
where:
Base-Base interactions energy: -40.911
where: short stacking energy: -31.649
Base-Backbone interact. energy: -0.272
local terms energy: -47.945884
where:
bonds (distance) C4'-P energy: -10.689
bonds (distance) P-C4' energy: -19.863
flat angles C4'-P-C4' energy: -11.957
flat angles P-C4'-P energy: -6.475
tors. eta vs tors. theta energy: 1.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 134
Temperature: 0.900000
Total energy: -285.731081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.731081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.731081 (E_RNA)
where:
Base-Base interactions energy: -194.709
where: short stacking energy: -69.988
Base-Backbone interact. energy: 0.291
local terms energy: -91.312784
where:
bonds (distance) C4'-P energy: -17.757
bonds (distance) P-C4' energy: -14.484
flat angles C4'-P-C4' energy: -21.658
flat angles P-C4'-P energy: -16.609
tors. eta vs tors. theta energy: -20.804
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: 2, replica: 3
=====================================
Write number: 134
Temperature: 0.950000
Total energy: -287.755691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.755691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.755691 (E_RNA)
where:
Base-Base interactions energy: -197.883
where: short stacking energy: -82.251
Base-Backbone interact. energy: -0.016
local terms energy: -89.856003
where:
bonds (distance) C4'-P energy: -18.051
bonds (distance) P-C4' energy: -13.584
flat angles C4'-P-C4' energy: -19.633
flat angles P-C4'-P energy: -10.425
tors. eta vs tors. theta energy: -28.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 134
Temperature: 1.000000
Total energy: -278.909600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.909600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.909600 (E_RNA)
where:
Base-Base interactions energy: -192.187
where: short stacking energy: -71.481
Base-Backbone interact. energy: -0.115
local terms energy: -86.607980
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -14.947
flat angles C4'-P-C4' energy: -19.537
flat angles P-C4'-P energy: -13.777
tors. eta vs tors. theta energy: -21.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 134
Temperature: 1.050000
Total energy: -273.465887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.465887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.465887 (E_RNA)
where:
Base-Base interactions energy: -179.383
where: short stacking energy: -71.877
Base-Backbone interact. energy: -0.823
local terms energy: -93.259670
where:
bonds (distance) C4'-P energy: -18.250
bonds (distance) P-C4' energy: -16.982
flat angles C4'-P-C4' energy: -19.013
flat angles P-C4'-P energy: -16.493
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: 5, replica: 4
=====================================
Write number: 134
Temperature: 1.100000
Total energy: -263.438007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.438007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.438007 (E_RNA)
where:
Base-Base interactions energy: -184.298
where: short stacking energy: -67.992
Base-Backbone interact. energy: -1.185
local terms energy: -77.954677
where:
bonds (distance) C4'-P energy: -14.922
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -18.290
flat angles P-C4'-P energy: -10.927
tors. eta vs tors. theta energy: -20.020
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: 6, replica: 5
=====================================
Write number: 134
Temperature: 1.150000
Total energy: -175.855506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.855506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.855506 (E_RNA)
where:
Base-Base interactions energy: -104.019
where: short stacking energy: -43.137
Base-Backbone interact. energy: -0.373
local terms energy: -71.463513
where:
bonds (distance) C4'-P energy: -12.715
bonds (distance) P-C4' energy: -20.860
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -12.521
tors. eta vs tors. theta energy: -9.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 134
Temperature: 1.200000
Total energy: -217.602431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.602431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.602431 (E_RNA)
where:
Base-Base interactions energy: -151.770
where: short stacking energy: -56.295
Base-Backbone interact. energy: 1.110
local terms energy: -66.942032
where:
bonds (distance) C4'-P energy: -11.083
bonds (distance) P-C4' energy: -18.808
flat angles C4'-P-C4' energy: -13.176
flat angles P-C4'-P energy: -8.971
tors. eta vs tors. theta energy: -14.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 134
Temperature: 1.250000
Total energy: -95.083387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.083387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.083387 (E_RNA)
where:
Base-Base interactions energy: -28.690
where: short stacking energy: -28.690
Base-Backbone interact. energy: -0.456
local terms energy: -65.937523
where:
bonds (distance) C4'-P energy: -19.508
bonds (distance) P-C4' energy: -14.575
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -10.875
tors. eta vs tors. theta energy: -6.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 134
Temperature: 1.300000
Total energy: -91.987465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.987465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.987465 (E_RNA)
where:
Base-Base interactions energy: -34.522
where: short stacking energy: -34.522
Base-Backbone interact. energy: 0.832
local terms energy: -58.297318
where:
bonds (distance) C4'-P energy: -13.418
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -13.999
flat angles P-C4'-P energy: -10.812
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: 8
=====================================
Write number: 134
Temperature: 1.350000
Total energy: -89.507233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.507233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.507233 (E_RNA)
where:
Base-Base interactions energy: -48.088
where: short stacking energy: -25.438
Base-Backbone interact. energy: -0.478
local terms energy: -40.941760
where:
bonds (distance) C4'-P energy: -14.554
bonds (distance) P-C4' energy: -13.786
flat angles C4'-P-C4' energy: -11.127
flat angles P-C4'-P energy: -3.048
tors. eta vs tors. theta energy: 1.574
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 135
Temperature: 0.900000
Total energy: -290.488642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.488642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.488642 (E_RNA)
where:
Base-Base interactions energy: -204.950
where: short stacking energy: -74.915
Base-Backbone interact. energy: -1.034
local terms energy: -84.504649
where:
bonds (distance) C4'-P energy: -14.702
bonds (distance) P-C4' energy: -18.560
flat angles C4'-P-C4' energy: -17.317
flat angles P-C4'-P energy: -11.436
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: 2, replica: 3
=====================================
Write number: 135
Temperature: 0.950000
Total energy: -291.123871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.123871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.123871 (E_RNA)
where:
Base-Base interactions energy: -200.648
where: short stacking energy: -88.554
Base-Backbone interact. energy: -0.050
local terms energy: -90.426306
where:
bonds (distance) C4'-P energy: -15.440
bonds (distance) P-C4' energy: -17.987
flat angles C4'-P-C4' energy: -18.933
flat angles P-C4'-P energy: -11.850
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: 3, replica: 10
=====================================
Write number: 135
Temperature: 1.000000
Total energy: -277.044735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.044735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.044735 (E_RNA)
where:
Base-Base interactions energy: -189.240
where: short stacking energy: -77.592
Base-Backbone interact. energy: -0.192
local terms energy: -87.612554
where:
bonds (distance) C4'-P energy: -15.198
bonds (distance) P-C4' energy: -18.815
flat angles C4'-P-C4' energy: -18.632
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: -25.121
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: 4, replica: 4
=====================================
Write number: 135
Temperature: 1.050000
Total energy: -265.799167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.799167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.799167 (E_RNA)
where:
Base-Base interactions energy: -182.626
where: short stacking energy: -77.920
Base-Backbone interact. energy: -0.488
local terms energy: -82.684789
where:
bonds (distance) C4'-P energy: -18.362
bonds (distance) P-C4' energy: -13.423
flat angles C4'-P-C4' energy: -16.031
flat angles P-C4'-P energy: -13.794
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: 5, replica: 2
=====================================
Write number: 135
Temperature: 1.100000
Total energy: -265.763586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.763586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.763586 (E_RNA)
where:
Base-Base interactions energy: -179.439
where: short stacking energy: -80.059
Base-Backbone interact. energy: -1.298
local terms energy: -85.026713
where:
bonds (distance) C4'-P energy: -13.948
bonds (distance) P-C4' energy: -18.847
flat angles C4'-P-C4' energy: -17.237
flat angles P-C4'-P energy: -13.577
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: 7
=====================================
Write number: 135
Temperature: 1.150000
Total energy: -256.000145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.000145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.000145 (E_RNA)
where:
Base-Base interactions energy: -175.740
where: short stacking energy: -77.826
Base-Backbone interact. energy: -0.909
local terms energy: -79.351684
where:
bonds (distance) C4'-P energy: -15.033
bonds (distance) P-C4' energy: -12.968
flat angles C4'-P-C4' energy: -17.150
flat angles P-C4'-P energy: -9.569
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: 5
=====================================
Write number: 135
Temperature: 1.200000
Total energy: -176.527694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.527694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.527694 (E_RNA)
where:
Base-Base interactions energy: -103.629
where: short stacking energy: -59.931
Base-Backbone interact. energy: -0.146
local terms energy: -72.752730
where:
bonds (distance) C4'-P energy: -18.615
bonds (distance) P-C4' energy: -15.554
flat angles C4'-P-C4' energy: -12.802
flat angles P-C4'-P energy: -11.234
tors. eta vs tors. theta energy: -14.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 135
Temperature: 1.250000
Total energy: -109.318436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.318436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.318436 (E_RNA)
where:
Base-Base interactions energy: -32.219
where: short stacking energy: -32.219
Base-Backbone interact. energy: -0.026
local terms energy: -77.073424
where:
bonds (distance) C4'-P energy: -17.117
bonds (distance) P-C4' energy: -18.189
flat angles C4'-P-C4' energy: -15.173
flat angles P-C4'-P energy: -14.530
tors. eta vs tors. theta energy: -12.064
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 135
Temperature: 1.300000
Total energy: -90.442370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.442370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.442370 (E_RNA)
where:
Base-Base interactions energy: -30.151
where: short stacking energy: -31.151
Base-Backbone interact. energy: -0.332
local terms energy: -59.959654
where:
bonds (distance) C4'-P energy: -18.747
bonds (distance) P-C4' energy: -18.711
flat angles C4'-P-C4' energy: -5.184
flat angles P-C4'-P energy: -11.665
tors. eta vs tors. theta energy: -5.653
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: 8
=====================================
Write number: 135
Temperature: 1.350000
Total energy: -86.555162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.555162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.555162 (E_RNA)
where:
Base-Base interactions energy: -31.282
where: short stacking energy: -24.190
Base-Backbone interact. energy: -0.275
local terms energy: -54.997634
where:
bonds (distance) C4'-P energy: -11.961
bonds (distance) P-C4' energy: -12.758
flat angles C4'-P-C4' energy: -18.212
flat angles P-C4'-P energy: -11.907
tors. eta vs tors. theta energy: -0.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 136
Temperature: 0.900000
Total energy: -282.211872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.211872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.211872 (E_RNA)
where:
Base-Base interactions energy: -185.845
where: short stacking energy: -76.923
Base-Backbone interact. energy: -0.008
local terms energy: -96.359491
where:
bonds (distance) C4'-P energy: -20.043
bonds (distance) P-C4' energy: -20.523
flat angles C4'-P-C4' energy: -19.570
flat angles P-C4'-P energy: -11.241
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: 2, replica: 6
=====================================
Write number: 136
Temperature: 0.950000
Total energy: -281.464160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.464160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.464160 (E_RNA)
where:
Base-Base interactions energy: -188.413
where: short stacking energy: -75.110
Base-Backbone interact. energy: -2.033
local terms energy: -91.017739
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -19.005
flat angles C4'-P-C4' energy: -19.223
flat angles P-C4'-P energy: -16.844
tors. eta vs tors. theta energy: -20.054
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: 4
=====================================
Write number: 136
Temperature: 1.000000
Total energy: -287.080572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.080572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.080572 (E_RNA)
where:
Base-Base interactions energy: -194.395
where: short stacking energy: -83.333
Base-Backbone interact. energy: -0.001
local terms energy: -92.684432
where:
bonds (distance) C4'-P energy: -17.232
bonds (distance) P-C4' energy: -16.128
flat angles C4'-P-C4' energy: -18.186
flat angles P-C4'-P energy: -14.275
tors. eta vs tors. theta energy: -26.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 136
Temperature: 1.050000
Total energy: -280.005654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.005654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.005654 (E_RNA)
where:
Base-Base interactions energy: -188.643
where: short stacking energy: -73.207
Base-Backbone interact. energy: -0.206
local terms energy: -91.156172
where:
bonds (distance) C4'-P energy: -20.316
bonds (distance) P-C4' energy: -17.702
flat angles C4'-P-C4' energy: -18.677
flat angles P-C4'-P energy: -14.452
tors. eta vs tors. theta energy: -20.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 136
Temperature: 1.100000
Total energy: -265.453422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.453422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.453422 (E_RNA)
where:
Base-Base interactions energy: -182.957
where: short stacking energy: -73.210
Base-Backbone interact. energy: -0.846
local terms energy: -81.650612
where:
bonds (distance) C4'-P energy: -17.252
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -16.468
flat angles P-C4'-P energy: -10.315
tors. eta vs tors. theta energy: -19.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 136
Temperature: 1.150000
Total energy: -267.652286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.652286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.652286 (E_RNA)
where:
Base-Base interactions energy: -187.192
where: short stacking energy: -67.632
Base-Backbone interact. energy: -0.131
local terms energy: -80.328874
where:
bonds (distance) C4'-P energy: -17.430
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -17.337
flat angles P-C4'-P energy: -7.833
tors. eta vs tors. theta energy: -21.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 136
Temperature: 1.200000
Total energy: -154.018343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.018343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.018343 (E_RNA)
where:
Base-Base interactions energy: -87.067
where: short stacking energy: -44.062
Base-Backbone interact. energy: -0.069
local terms energy: -66.882197
where:
bonds (distance) C4'-P energy: -16.441
bonds (distance) P-C4' energy: -17.519
flat angles C4'-P-C4' energy: -16.710
flat angles P-C4'-P energy: -11.842
tors. eta vs tors. theta energy: -4.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 136
Temperature: 1.250000
Total energy: -96.206267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.206267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.206267 (E_RNA)
where:
Base-Base interactions energy: -30.969
where: short stacking energy: -24.570
Base-Backbone interact. energy: -0.034
local terms energy: -65.203266
where:
bonds (distance) C4'-P energy: -16.461
bonds (distance) P-C4' energy: -18.772
flat angles C4'-P-C4' energy: -17.871
flat angles P-C4'-P energy: -10.548
tors. eta vs tors. theta energy: -1.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 136
Temperature: 1.300000
Total energy: -106.111960 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.111960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.111960 (E_RNA)
where:
Base-Base interactions energy: -34.229
where: short stacking energy: -33.113
Base-Backbone interact. energy: -0.136
local terms energy: -71.746514
where:
bonds (distance) C4'-P energy: -20.523
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -17.043
flat angles P-C4'-P energy: -12.015
tors. eta vs tors. theta energy: -6.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 136
Temperature: 1.350000
Total energy: -95.843456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.843456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.843456 (E_RNA)
where:
Base-Base interactions energy: -39.358
where: short stacking energy: -28.582
Base-Backbone interact. energy: 0.558
local terms energy: -57.043116
where:
bonds (distance) C4'-P energy: -12.571
bonds (distance) P-C4' energy: -20.945
flat angles C4'-P-C4' energy: -14.292
flat angles P-C4'-P energy: -10.783
tors. eta vs tors. theta energy: 1.549
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: 137
Temperature: 0.900000
Total energy: -286.958936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.958936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.958936 (E_RNA)
where:
Base-Base interactions energy: -193.934
where: short stacking energy: -78.248
Base-Backbone interact. energy: -0.005
local terms energy: -93.019762
where:
bonds (distance) C4'-P energy: -17.898
bonds (distance) P-C4' energy: -21.328
flat angles C4'-P-C4' energy: -14.327
flat angles P-C4'-P energy: -15.952
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: 2, replica: 4
=====================================
Write number: 137
Temperature: 0.950000
Total energy: -287.645550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.645550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.645550 (E_RNA)
where:
Base-Base interactions energy: -198.195
where: short stacking energy: -79.915
Base-Backbone interact. energy: -1.121
local terms energy: -88.328994
where:
bonds (distance) C4'-P energy: -15.427
bonds (distance) P-C4' energy: -19.809
flat angles C4'-P-C4' energy: -12.501
flat angles P-C4'-P energy: -16.053
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: 3, replica: 6
=====================================
Write number: 137
Temperature: 1.000000
Total energy: -280.195636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.195636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.195636 (E_RNA)
where:
Base-Base interactions energy: -194.136
where: short stacking energy: -68.288
Base-Backbone interact. energy: -0.157
local terms energy: -85.902669
where:
bonds (distance) C4'-P energy: -17.650
bonds (distance) P-C4' energy: -16.750
flat angles C4'-P-C4' energy: -17.940
flat angles P-C4'-P energy: -12.286
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: 4, replica: 7
=====================================
Write number: 137
Temperature: 1.050000
Total energy: -275.764995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.764995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.764995 (E_RNA)
where:
Base-Base interactions energy: -193.926
where: short stacking energy: -72.941
Base-Backbone interact. energy: 1.033
local terms energy: -82.871648
where:
bonds (distance) C4'-P energy: -11.292
bonds (distance) P-C4' energy: -18.252
flat angles C4'-P-C4' energy: -21.285
flat angles P-C4'-P energy: -12.118
tors. eta vs tors. theta energy: -19.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 137
Temperature: 1.100000
Total energy: -267.940333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.940333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.940333 (E_RNA)
where:
Base-Base interactions energy: -190.767
where: short stacking energy: -72.237
Base-Backbone interact. energy: -0.208
local terms energy: -76.965148
where:
bonds (distance) C4'-P energy: -16.995
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -10.365
tors. eta vs tors. theta energy: -21.453
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: 2
=====================================
Write number: 137
Temperature: 1.150000
Total energy: -260.330176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.330176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.330176 (E_RNA)
where:
Base-Base interactions energy: -179.812
where: short stacking energy: -75.556
Base-Backbone interact. energy: -0.016
local terms energy: -80.502445
where:
bonds (distance) C4'-P energy: -18.429
bonds (distance) P-C4' energy: -9.483
flat angles C4'-P-C4' energy: -16.758
flat angles P-C4'-P energy: -9.958
tors. eta vs tors. theta energy: -25.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 137
Temperature: 1.200000
Total energy: -165.829530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.829530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.829530 (E_RNA)
where:
Base-Base interactions energy: -108.287
where: short stacking energy: -49.383
Base-Backbone interact. energy: -0.052
local terms energy: -57.490835
where:
bonds (distance) C4'-P energy: -15.745
bonds (distance) P-C4' energy: -10.995
flat angles C4'-P-C4' energy: -14.367
flat angles P-C4'-P energy: -6.739
tors. eta vs tors. theta energy: -9.645
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 137
Temperature: 1.250000
Total energy: -97.913568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.913568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.913568 (E_RNA)
where:
Base-Base interactions energy: -32.258
where: short stacking energy: -32.258
Base-Backbone interact. energy: -0.221
local terms energy: -65.434097
where:
bonds (distance) C4'-P energy: -17.949
bonds (distance) P-C4' energy: -17.846
flat angles C4'-P-C4' energy: -12.601
flat angles P-C4'-P energy: -11.407
tors. eta vs tors. theta energy: -5.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 137
Temperature: 1.300000
Total energy: -99.886338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.886338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.886338 (E_RNA)
where:
Base-Base interactions energy: -39.460
where: short stacking energy: -30.906
Base-Backbone interact. energy: -0.686
local terms energy: -59.740287
where:
bonds (distance) C4'-P energy: -15.575
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -14.081
flat angles P-C4'-P energy: -12.761
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: 10, replica: 9
=====================================
Write number: 137
Temperature: 1.350000
Total energy: -88.513379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.513379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.513379 (E_RNA)
where:
Base-Base interactions energy: -44.971
where: short stacking energy: -37.451
Base-Backbone interact. energy: -0.147
local terms energy: -43.395793
where:
bonds (distance) C4'-P energy: -10.901
bonds (distance) P-C4' energy: -13.295
flat angles C4'-P-C4' energy: -10.591
flat angles P-C4'-P energy: -5.681
tors. eta vs tors. theta energy: -2.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 138
Temperature: 0.900000
Total energy: -281.772025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.772025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.772025 (E_RNA)
where:
Base-Base interactions energy: -188.224
where: short stacking energy: -79.760
Base-Backbone interact. energy: -0.042
local terms energy: -93.506509
where:
bonds (distance) C4'-P energy: -18.388
bonds (distance) P-C4' energy: -15.149
flat angles C4'-P-C4' energy: -18.189
flat angles P-C4'-P energy: -17.595
tors. eta vs tors. theta energy: -24.187
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: 3
=====================================
Write number: 138
Temperature: 0.950000
Total energy: -274.676388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.676388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.676388 (E_RNA)
where:
Base-Base interactions energy: -184.610
where: short stacking energy: -80.404
Base-Backbone interact. energy: -0.101
local terms energy: -89.964993
where:
bonds (distance) C4'-P energy: -17.915
bonds (distance) P-C4' energy: -16.014
flat angles C4'-P-C4' energy: -18.846
flat angles P-C4'-P energy: -13.792
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: 3, replica: 6
=====================================
Write number: 138
Temperature: 1.000000
Total energy: -285.140199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.140199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.140199 (E_RNA)
where:
Base-Base interactions energy: -196.526
where: short stacking energy: -76.957
Base-Backbone interact. energy: -1.168
local terms energy: -87.446076
where:
bonds (distance) C4'-P energy: -18.354
bonds (distance) P-C4' energy: -14.869
flat angles C4'-P-C4' energy: -17.634
flat angles P-C4'-P energy: -14.381
tors. eta vs tors. theta energy: -22.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 138
Temperature: 1.050000
Total energy: -259.018393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.018393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.018393 (E_RNA)
where:
Base-Base interactions energy: -171.969
where: short stacking energy: -73.115
Base-Backbone interact. energy: -0.045
local terms energy: -87.003983
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -20.517
flat angles C4'-P-C4' energy: -18.394
flat angles P-C4'-P energy: -12.573
tors. eta vs tors. theta energy: -20.226
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 138
Temperature: 1.100000
Total energy: -250.204338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.204338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.204338 (E_RNA)
where:
Base-Base interactions energy: -177.259
where: short stacking energy: -75.301
Base-Backbone interact. energy: -0.334
local terms energy: -72.612058
where:
bonds (distance) C4'-P energy: -16.391
bonds (distance) P-C4' energy: -17.215
flat angles C4'-P-C4' energy: -16.672
flat angles P-C4'-P energy: -3.652
tors. eta vs tors. theta energy: -18.682
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: 6, replica: 10
=====================================
Write number: 138
Temperature: 1.150000
Total energy: -259.026356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.026356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.026356 (E_RNA)
where:
Base-Base interactions energy: -171.361
where: short stacking energy: -69.729
Base-Backbone interact. energy: -0.073
local terms energy: -87.592554
where:
bonds (distance) C4'-P energy: -20.038
bonds (distance) P-C4' energy: -16.916
flat angles C4'-P-C4' energy: -17.284
flat angles P-C4'-P energy: -13.477
tors. eta vs tors. theta energy: -19.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 138
Temperature: 1.200000
Total energy: -155.256683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.256683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.256683 (E_RNA)
where:
Base-Base interactions energy: -86.531
where: short stacking energy: -46.500
Base-Backbone interact. energy: -0.179
local terms energy: -68.545991
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -18.808
flat angles C4'-P-C4' energy: -12.636
flat angles P-C4'-P energy: -11.543
tors. eta vs tors. theta energy: -9.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 138
Temperature: 1.250000
Total energy: -97.059070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.059070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.059070 (E_RNA)
where:
Base-Base interactions energy: -32.428
where: short stacking energy: -26.701
Base-Backbone interact. energy: -0.433
local terms energy: -64.198666
where:
bonds (distance) C4'-P energy: -18.316
bonds (distance) P-C4' energy: -17.546
flat angles C4'-P-C4' energy: -15.345
flat angles P-C4'-P energy: -8.957
tors. eta vs tors. theta energy: -4.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 138
Temperature: 1.300000
Total energy: -96.598764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.598764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.598764 (E_RNA)
where:
Base-Base interactions energy: -36.042
where: short stacking energy: -28.808
Base-Backbone interact. energy: -0.131
local terms energy: -60.426200
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -15.391
flat angles C4'-P-C4' energy: -14.082
flat angles P-C4'-P energy: -11.047
tors. eta vs tors. theta energy: -5.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 138
Temperature: 1.350000
Total energy: -78.124582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.124582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.124582 (E_RNA)
where:
Base-Base interactions energy: -28.887
where: short stacking energy: -28.848
Base-Backbone interact. energy: -0.231
local terms energy: -49.006842
where:
bonds (distance) C4'-P energy: -14.165
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -6.552
flat angles P-C4'-P energy: -8.701
tors. eta vs tors. theta energy: -2.911
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 139
Temperature: 0.900000
Total energy: -287.663859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.663859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.663859 (E_RNA)
where:
Base-Base interactions energy: -194.269
where: short stacking energy: -80.273
Base-Backbone interact. energy: 0.449
local terms energy: -93.844553
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -19.518
flat angles C4'-P-C4' energy: -19.365
flat angles P-C4'-P energy: -16.724
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: 2, replica: 3
=====================================
Write number: 139
Temperature: 0.950000
Total energy: -281.420211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.420211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.420211 (E_RNA)
where:
Base-Base interactions energy: -195.625
where: short stacking energy: -76.603
Base-Backbone interact. energy: -0.659
local terms energy: -85.136342
where:
bonds (distance) C4'-P energy: -16.380
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -15.877
flat angles P-C4'-P energy: -9.840
tors. eta vs tors. theta energy: -25.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 139
Temperature: 1.000000
Total energy: -280.062024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.062024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.062024 (E_RNA)
where:
Base-Base interactions energy: -200.846
where: short stacking energy: -78.349
Base-Backbone interact. energy: 1.167
local terms energy: -80.382884
where:
bonds (distance) C4'-P energy: -14.513
bonds (distance) P-C4' energy: -17.151
flat angles C4'-P-C4' energy: -18.333
flat angles P-C4'-P energy: -5.753
tors. eta vs tors. theta energy: -24.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 139
Temperature: 1.050000
Total energy: -274.063887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.063887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.063887 (E_RNA)
where:
Base-Base interactions energy: -188.175
where: short stacking energy: -69.180
Base-Backbone interact. energy: -0.101
local terms energy: -85.787258
where:
bonds (distance) C4'-P energy: -15.422
bonds (distance) P-C4' energy: -16.963
flat angles C4'-P-C4' energy: -20.503
flat angles P-C4'-P energy: -13.588
tors. eta vs tors. theta energy: -19.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 139
Temperature: 1.100000
Total energy: -268.485897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.485897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.485897 (E_RNA)
where:
Base-Base interactions energy: -181.516
where: short stacking energy: -76.988
Base-Backbone interact. energy: -0.555
local terms energy: -86.415124
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -14.850
flat angles C4'-P-C4' energy: -20.231
flat angles P-C4'-P energy: -13.843
tors. eta vs tors. theta energy: -21.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 139
Temperature: 1.150000
Total energy: -270.362258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.362258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.362258 (E_RNA)
where:
Base-Base interactions energy: -187.202
where: short stacking energy: -73.118
Base-Backbone interact. energy: -0.018
local terms energy: -83.142798
where:
bonds (distance) C4'-P energy: -16.560
bonds (distance) P-C4' energy: -15.981
flat angles C4'-P-C4' energy: -16.394
flat angles P-C4'-P energy: -10.376
tors. eta vs tors. theta energy: -23.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 139
Temperature: 1.200000
Total energy: -169.357956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.357956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.357956 (E_RNA)
where:
Base-Base interactions energy: -102.833
where: short stacking energy: -37.965
Base-Backbone interact. energy: -0.304
local terms energy: -66.221369
where:
bonds (distance) C4'-P energy: -16.962
bonds (distance) P-C4' energy: -18.974
flat angles C4'-P-C4' energy: -16.411
flat angles P-C4'-P energy: -8.118
tors. eta vs tors. theta energy: -5.756
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: 9
=====================================
Write number: 139
Temperature: 1.250000
Total energy: -96.555877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.555877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.555877 (E_RNA)
where:
Base-Base interactions energy: -31.539
where: short stacking energy: -28.328
Base-Backbone interact. energy: -0.143
local terms energy: -64.873628
where:
bonds (distance) C4'-P energy: -18.208
bonds (distance) P-C4' energy: -13.850
flat angles C4'-P-C4' energy: -17.705
flat angles P-C4'-P energy: -11.242
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: 9, replica: 8
=====================================
Write number: 139
Temperature: 1.300000
Total energy: -83.384646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.384646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.384646 (E_RNA)
where:
Base-Base interactions energy: -32.437
where: short stacking energy: -20.951
Base-Backbone interact. energy: 0.122
local terms energy: -51.070586
where:
bonds (distance) C4'-P energy: -15.997
bonds (distance) P-C4' energy: -19.371
flat angles C4'-P-C4' energy: -14.202
flat angles P-C4'-P energy: -3.596
tors. eta vs tors. theta energy: 2.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 139
Temperature: 1.350000
Total energy: -78.899743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.899743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.899743 (E_RNA)
where:
Base-Base interactions energy: -22.151
where: short stacking energy: -22.151
Base-Backbone interact. energy: -0.015
local terms energy: -56.734054
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -21.554
flat angles C4'-P-C4' energy: -12.908
flat angles P-C4'-P energy: -10.791
tors. eta vs tors. theta energy: 0.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 140
Temperature: 0.900000
Total energy: -285.073362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.073362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.073362 (E_RNA)
where:
Base-Base interactions energy: -191.836
where: short stacking energy: -83.843
Base-Backbone interact. energy: -0.003
local terms energy: -93.234328
where:
bonds (distance) C4'-P energy: -18.743
bonds (distance) P-C4' energy: -16.284
flat angles C4'-P-C4' energy: -21.639
flat angles P-C4'-P energy: -12.492
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: 2, replica: 3
=====================================
Write number: 140
Temperature: 0.950000
Total energy: -290.163842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.163842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.163842 (E_RNA)
where:
Base-Base interactions energy: -196.767
where: short stacking energy: -84.835
Base-Backbone interact. energy: -0.978
local terms energy: -92.418781
where:
bonds (distance) C4'-P energy: -17.944
bonds (distance) P-C4' energy: -14.889
flat angles C4'-P-C4' energy: -21.055
flat angles P-C4'-P energy: -12.777
tors. eta vs tors. theta energy: -25.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 140
Temperature: 1.000000
Total energy: -286.503488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.503488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.503488 (E_RNA)
where:
Base-Base interactions energy: -198.528
where: short stacking energy: -85.476
Base-Backbone interact. energy: -0.001
local terms energy: -87.975164
where:
bonds (distance) C4'-P energy: -17.989
bonds (distance) P-C4' energy: -12.920
flat angles C4'-P-C4' energy: -19.873
flat angles P-C4'-P energy: -11.997
tors. eta vs tors. theta energy: -25.197
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: 7
=====================================
Write number: 140
Temperature: 1.050000
Total energy: -273.697054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.697054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.697054 (E_RNA)
where:
Base-Base interactions energy: -192.851
where: short stacking energy: -71.443
Base-Backbone interact. energy: -0.033
local terms energy: -80.813041
where:
bonds (distance) C4'-P energy: -19.459
bonds (distance) P-C4' energy: -15.239
flat angles C4'-P-C4' energy: -14.242
flat angles P-C4'-P energy: -11.278
tors. eta vs tors. theta energy: -20.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 140
Temperature: 1.100000
Total energy: -254.165171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.165171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.165171 (E_RNA)
where:
Base-Base interactions energy: -181.122
where: short stacking energy: -79.134
Base-Backbone interact. energy: -0.092
local terms energy: -72.951468
where:
bonds (distance) C4'-P energy: -15.068
bonds (distance) P-C4' energy: -14.083
flat angles C4'-P-C4' energy: -16.604
flat angles P-C4'-P energy: -4.888
tors. eta vs tors. theta energy: -22.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 140
Temperature: 1.150000
Total energy: -268.131477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.131477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.131477 (E_RNA)
where:
Base-Base interactions energy: -182.403
where: short stacking energy: -78.415
Base-Backbone interact. energy: 0.217
local terms energy: -85.945383
where:
bonds (distance) C4'-P energy: -17.364
bonds (distance) P-C4' energy: -17.052
flat angles C4'-P-C4' energy: -17.184
flat angles P-C4'-P energy: -11.796
tors. eta vs tors. theta energy: -22.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 140
Temperature: 1.200000
Total energy: -190.474906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.474906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.474906 (E_RNA)
where:
Base-Base interactions energy: -125.116
where: short stacking energy: -51.111
Base-Backbone interact. energy: -0.684
local terms energy: -64.674148
where:
bonds (distance) C4'-P energy: -8.712
bonds (distance) P-C4' energy: -15.269
flat angles C4'-P-C4' energy: -16.582
flat angles P-C4'-P energy: -9.347
tors. eta vs tors. theta energy: -14.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 140
Temperature: 1.250000
Total energy: -102.709558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.709558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.709558 (E_RNA)
where:
Base-Base interactions energy: -39.239
where: short stacking energy: -39.239
Base-Backbone interact. energy: -0.139
local terms energy: -63.332022
where:
bonds (distance) C4'-P energy: -15.422
bonds (distance) P-C4' energy: -16.763
flat angles C4'-P-C4' energy: -12.153
flat angles P-C4'-P energy: -14.194
tors. eta vs tors. theta energy: -4.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 140
Temperature: 1.300000
Total energy: -88.361014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.361014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.361014 (E_RNA)
where:
Base-Base interactions energy: -31.287
where: short stacking energy: -31.287
Base-Backbone interact. energy: -0.091
local terms energy: -56.983703
where:
bonds (distance) C4'-P energy: -12.376
bonds (distance) P-C4' energy: -19.317
flat angles C4'-P-C4' energy: -17.928
flat angles P-C4'-P energy: -6.152
tors. eta vs tors. theta energy: -1.211
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 140
Temperature: 1.350000
Total energy: -83.025379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.025379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.025379 (E_RNA)
where:
Base-Base interactions energy: -23.280
where: short stacking energy: -23.227
Base-Backbone interact. energy: -0.292
local terms energy: -59.453186
where:
bonds (distance) C4'-P energy: -19.239
bonds (distance) P-C4' energy: -16.459
flat angles C4'-P-C4' energy: -9.352
flat angles P-C4'-P energy: -12.528
tors. eta vs tors. theta energy: -1.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 141
Temperature: 0.900000
Total energy: -283.718891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.718891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.718891 (E_RNA)
where:
Base-Base interactions energy: -187.403
where: short stacking energy: -71.597
Base-Backbone interact. energy: -0.678
local terms energy: -95.637567
where:
bonds (distance) C4'-P energy: -18.566
bonds (distance) P-C4' energy: -19.079
flat angles C4'-P-C4' energy: -20.727
flat angles P-C4'-P energy: -16.031
tors. eta vs tors. theta energy: -21.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 141
Temperature: 0.950000
Total energy: -283.178089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.178089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.178089 (E_RNA)
where:
Base-Base interactions energy: -191.595
where: short stacking energy: -77.173
Base-Backbone interact. energy: -0.358
local terms energy: -91.225475
where:
bonds (distance) C4'-P energy: -17.774
bonds (distance) P-C4' energy: -18.749
flat angles C4'-P-C4' energy: -18.977
flat angles P-C4'-P energy: -9.486
tors. eta vs tors. theta energy: -26.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 141
Temperature: 1.000000
Total energy: -279.750286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.750286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.750286 (E_RNA)
where:
Base-Base interactions energy: -191.020
where: short stacking energy: -76.266
Base-Backbone interact. energy: -1.168
local terms energy: -87.561760
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -20.803
flat angles C4'-P-C4' energy: -17.440
flat angles P-C4'-P energy: -11.695
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: 4, replica: 10
=====================================
Write number: 141
Temperature: 1.050000
Total energy: -273.657749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.657749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.657749 (E_RNA)
where:
Base-Base interactions energy: -184.248
where: short stacking energy: -76.885
Base-Backbone interact. energy: -0.708
local terms energy: -88.701846
where:
bonds (distance) C4'-P energy: -17.330
bonds (distance) P-C4' energy: -17.533
flat angles C4'-P-C4' energy: -19.438
flat angles P-C4'-P energy: -9.028
tors. eta vs tors. theta energy: -25.373
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: 7
=====================================
Write number: 141
Temperature: 1.100000
Total energy: -261.682971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.682971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.682971 (E_RNA)
where:
Base-Base interactions energy: -177.250
where: short stacking energy: -74.070
Base-Backbone interact. energy: 0.085
local terms energy: -84.517574
where:
bonds (distance) C4'-P energy: -19.836
bonds (distance) P-C4' energy: -18.135
flat angles C4'-P-C4' energy: -17.023
flat angles P-C4'-P energy: -9.821
tors. eta vs tors. theta energy: -19.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 141
Temperature: 1.150000
Total energy: -267.997350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.997350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.997350 (E_RNA)
where:
Base-Base interactions energy: -181.806
where: short stacking energy: -73.867
Base-Backbone interact. energy: -0.023
local terms energy: -86.167736
where:
bonds (distance) C4'-P energy: -16.524
bonds (distance) P-C4' energy: -11.881
flat angles C4'-P-C4' energy: -18.642
flat angles P-C4'-P energy: -13.848
tors. eta vs tors. theta energy: -25.273
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 141
Temperature: 1.200000
Total energy: -169.504585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.504585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.504585 (E_RNA)
where:
Base-Base interactions energy: -99.160
where: short stacking energy: -45.858
Base-Backbone interact. energy: 0.537
local terms energy: -70.881750
where:
bonds (distance) C4'-P energy: -13.227
bonds (distance) P-C4' energy: -19.840
flat angles C4'-P-C4' energy: -15.422
flat angles P-C4'-P energy: -11.367
tors. eta vs tors. theta energy: -11.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 141
Temperature: 1.250000
Total energy: -90.739944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.739944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.739944 (E_RNA)
where:
Base-Base interactions energy: -31.502
where: short stacking energy: -19.883
Base-Backbone interact. energy: -0.443
local terms energy: -58.795167
where:
bonds (distance) C4'-P energy: -16.374
bonds (distance) P-C4' energy: -18.529
flat angles C4'-P-C4' energy: -13.275
flat angles P-C4'-P energy: -4.630
tors. eta vs tors. theta energy: -5.986
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: 9
=====================================
Write number: 141
Temperature: 1.300000
Total energy: -98.432385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.432385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.432385 (E_RNA)
where:
Base-Base interactions energy: -40.604
where: short stacking energy: -21.958
Base-Backbone interact. energy: -0.219
local terms energy: -57.608925
where:
bonds (distance) C4'-P energy: -19.872
bonds (distance) P-C4' energy: -16.788
flat angles C4'-P-C4' energy: -6.687
flat angles P-C4'-P energy: -9.578
tors. eta vs tors. theta energy: -4.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 141
Temperature: 1.350000
Total energy: -84.683858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.683858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.683858 (E_RNA)
where:
Base-Base interactions energy: -33.326
where: short stacking energy: -34.526
Base-Backbone interact. energy: -0.295
local terms energy: -51.062719
where:
bonds (distance) C4'-P energy: -14.105
bonds (distance) P-C4' energy: -13.105
flat angles C4'-P-C4' energy: -13.481
flat angles P-C4'-P energy: -8.679
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: 142
Temperature: 0.900000
Total energy: -289.035332 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.035332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.035332 (E_RNA)
where:
Base-Base interactions energy: -194.613
where: short stacking energy: -79.051
Base-Backbone interact. energy: -0.930
local terms energy: -93.492698
where:
bonds (distance) C4'-P energy: -17.121
bonds (distance) P-C4' energy: -16.946
flat angles C4'-P-C4' energy: -19.476
flat angles P-C4'-P energy: -13.235
tors. eta vs tors. theta energy: -26.716
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: 6
=====================================
Write number: 142
Temperature: 0.950000
Total energy: -279.604917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.604917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.604917 (E_RNA)
where:
Base-Base interactions energy: -190.603
where: short stacking energy: -86.182
Base-Backbone interact. energy: -0.842
local terms energy: -88.160409
where:
bonds (distance) C4'-P energy: -13.747
bonds (distance) P-C4' energy: -13.598
flat angles C4'-P-C4' energy: -19.491
flat angles P-C4'-P energy: -15.690
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: 3, replica: 3
=====================================
Write number: 142
Temperature: 1.000000
Total energy: -276.008570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.008570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.008570 (E_RNA)
where:
Base-Base interactions energy: -188.629
where: short stacking energy: -76.103
Base-Backbone interact. energy: -0.451
local terms energy: -86.929159
where:
bonds (distance) C4'-P energy: -13.712
bonds (distance) P-C4' energy: -15.675
flat angles C4'-P-C4' energy: -17.505
flat angles P-C4'-P energy: -14.988
tors. eta vs tors. theta energy: -25.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 142
Temperature: 1.050000
Total energy: -276.105659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.105659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.105659 (E_RNA)
where:
Base-Base interactions energy: -190.957
where: short stacking energy: -86.731
Base-Backbone interact. energy: -0.623
local terms energy: -84.525198
where:
bonds (distance) C4'-P energy: -14.863
bonds (distance) P-C4' energy: -15.557
flat angles C4'-P-C4' energy: -19.216
flat angles P-C4'-P energy: -10.354
tors. eta vs tors. theta energy: -24.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 142
Temperature: 1.100000
Total energy: -272.587769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.587769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.587769 (E_RNA)
where:
Base-Base interactions energy: -187.400
where: short stacking energy: -68.669
Base-Backbone interact. energy: -0.000
local terms energy: -85.187042
where:
bonds (distance) C4'-P energy: -15.351
bonds (distance) P-C4' energy: -19.566
flat angles C4'-P-C4' energy: -17.280
flat angles P-C4'-P energy: -6.943
tors. eta vs tors. theta energy: -26.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 142
Temperature: 1.150000
Total energy: -258.731144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.731144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.731144 (E_RNA)
where:
Base-Base interactions energy: -172.568
where: short stacking energy: -73.828
Base-Backbone interact. energy: -0.425
local terms energy: -85.738582
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -20.317
flat angles C4'-P-C4' energy: -16.486
flat angles P-C4'-P energy: -10.773
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: 7, replica: 5
=====================================
Write number: 142
Temperature: 1.200000
Total energy: -180.662542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.662542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.662542 (E_RNA)
where:
Base-Base interactions energy: -117.678
where: short stacking energy: -50.852
Base-Backbone interact. energy: -0.830
local terms energy: -62.154034
where:
bonds (distance) C4'-P energy: -17.359
bonds (distance) P-C4' energy: -17.794
flat angles C4'-P-C4' energy: -12.268
flat angles P-C4'-P energy: -8.289
tors. eta vs tors. theta energy: -6.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 142
Temperature: 1.250000
Total energy: -94.154342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.154342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.154342 (E_RNA)
where:
Base-Base interactions energy: -45.473
where: short stacking energy: -30.120
Base-Backbone interact. energy: 0.541
local terms energy: -49.222548
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -15.130
flat angles C4'-P-C4' energy: -10.408
flat angles P-C4'-P energy: -11.304
tors. eta vs tors. theta energy: 1.850
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 142
Temperature: 1.300000
Total energy: -94.196275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.196275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.196275 (E_RNA)
where:
Base-Base interactions energy: -34.650
where: short stacking energy: -34.650
Base-Backbone interact. energy: -0.024
local terms energy: -59.522543
where:
bonds (distance) C4'-P energy: -12.093
bonds (distance) P-C4' energy: -17.135
flat angles C4'-P-C4' energy: -14.603
flat angles P-C4'-P energy: -10.065
tors. eta vs tors. theta energy: -5.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 142
Temperature: 1.350000
Total energy: -92.982057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.982057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.982057 (E_RNA)
where:
Base-Base interactions energy: -31.593
where: short stacking energy: -27.881
Base-Backbone interact. energy: 0.035
local terms energy: -61.424608
where:
bonds (distance) C4'-P energy: -13.924
bonds (distance) P-C4' energy: -17.922
flat angles C4'-P-C4' energy: -17.671
flat angles P-C4'-P energy: -6.071
tors. eta vs tors. theta energy: -5.837
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 143
Temperature: 0.900000
Total energy: -286.734418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.734418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.734418 (E_RNA)
where:
Base-Base interactions energy: -196.463
where: short stacking energy: -79.234
Base-Backbone interact. energy: -0.588
local terms energy: -89.683663
where:
bonds (distance) C4'-P energy: -15.012
bonds (distance) P-C4' energy: -16.619
flat angles C4'-P-C4' energy: -19.807
flat angles P-C4'-P energy: -11.267
tors. eta vs tors. theta energy: -26.979
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: 3
=====================================
Write number: 143
Temperature: 0.950000
Total energy: -282.783338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.783338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.783338 (E_RNA)
where:
Base-Base interactions energy: -189.106
where: short stacking energy: -80.308
Base-Backbone interact. energy: -2.791
local terms energy: -90.886594
where:
bonds (distance) C4'-P energy: -16.070
bonds (distance) P-C4' energy: -20.613
flat angles C4'-P-C4' energy: -16.783
flat angles P-C4'-P energy: -13.039
tors. eta vs tors. theta energy: -24.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 143
Temperature: 1.000000
Total energy: -287.234768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.234768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.234768 (E_RNA)
where:
Base-Base interactions energy: -195.771
where: short stacking energy: -81.098
Base-Backbone interact. energy: -0.003
local terms energy: -91.460809
where:
bonds (distance) C4'-P energy: -15.868
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -19.475
flat angles P-C4'-P energy: -12.215
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: 2
=====================================
Write number: 143
Temperature: 1.050000
Total energy: -276.751015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.751015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.751015 (E_RNA)
where:
Base-Base interactions energy: -184.248
where: short stacking energy: -71.009
Base-Backbone interact. energy: -0.225
local terms energy: -92.277738
where:
bonds (distance) C4'-P energy: -19.562
bonds (distance) P-C4' energy: -18.731
flat angles C4'-P-C4' energy: -18.503
flat angles P-C4'-P energy: -13.049
tors. eta vs tors. theta energy: -22.433
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: 10
=====================================
Write number: 143
Temperature: 1.100000
Total energy: -272.775634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.775634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.775634 (E_RNA)
where:
Base-Base interactions energy: -195.230
where: short stacking energy: -77.775
Base-Backbone interact. energy: -0.868
local terms energy: -76.678335
where:
bonds (distance) C4'-P energy: -11.743
bonds (distance) P-C4' energy: -12.603
flat angles C4'-P-C4' energy: -16.259
flat angles P-C4'-P energy: -11.806
tors. eta vs tors. theta energy: -24.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 143
Temperature: 1.150000
Total energy: -254.064387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.064387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.064387 (E_RNA)
where:
Base-Base interactions energy: -168.060
where: short stacking energy: -66.358
Base-Backbone interact. energy: -0.598
local terms energy: -85.406272
where:
bonds (distance) C4'-P energy: -17.422
bonds (distance) P-C4' energy: -14.709
flat angles C4'-P-C4' energy: -20.024
flat angles P-C4'-P energy: -10.554
tors. eta vs tors. theta energy: -22.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 143
Temperature: 1.200000
Total energy: -211.813765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.813765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.813765 (E_RNA)
where:
Base-Base interactions energy: -148.401
where: short stacking energy: -57.425
Base-Backbone interact. energy: -0.233
local terms energy: -63.179919
where:
bonds (distance) C4'-P energy: -12.289
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -12.230
flat angles P-C4'-P energy: -8.715
tors. eta vs tors. theta energy: -12.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 143
Temperature: 1.250000
Total energy: -102.943046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.943046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.943046 (E_RNA)
where:
Base-Base interactions energy: -48.028
where: short stacking energy: -41.992
Base-Backbone interact. energy: 1.163
local terms energy: -56.078146
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -18.349
flat angles C4'-P-C4' energy: -14.154
flat angles P-C4'-P energy: -5.628
tors. eta vs tors. theta energy: -5.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 143
Temperature: 1.300000
Total energy: -85.846285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.846285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.846285 (E_RNA)
where:
Base-Base interactions energy: -30.228
where: short stacking energy: -22.428
Base-Backbone interact. energy: -0.344
local terms energy: -55.274681
where:
bonds (distance) C4'-P energy: -17.327
bonds (distance) P-C4' energy: -10.263
flat angles C4'-P-C4' energy: -16.659
flat angles P-C4'-P energy: -9.016
tors. eta vs tors. theta energy: -2.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 143
Temperature: 1.350000
Total energy: -87.279789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.279789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.279789 (E_RNA)
where:
Base-Base interactions energy: -39.134
where: short stacking energy: -25.546
Base-Backbone interact. energy: 0.674
local terms energy: -48.819781
where:
bonds (distance) C4'-P energy: -12.254
bonds (distance) P-C4' energy: -19.277
flat angles C4'-P-C4' energy: -12.461
flat angles P-C4'-P energy: -4.105
tors. eta vs tors. theta energy: -0.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 144
Temperature: 0.900000
Total energy: -286.467322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.467322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.467322 (E_RNA)
where:
Base-Base interactions energy: -195.118
where: short stacking energy: -78.383
Base-Backbone interact. energy: -0.122
local terms energy: -91.227066
where:
bonds (distance) C4'-P energy: -18.776
bonds (distance) P-C4' energy: -16.960
flat angles C4'-P-C4' energy: -18.180
flat angles P-C4'-P energy: -12.979
tors. eta vs tors. theta energy: -24.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 144
Temperature: 0.950000
Total energy: -284.058357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.058357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.058357 (E_RNA)
where:
Base-Base interactions energy: -188.390
where: short stacking energy: -87.077
Base-Backbone interact. energy: -0.852
local terms energy: -94.816435
where:
bonds (distance) C4'-P energy: -18.461
bonds (distance) P-C4' energy: -17.580
flat angles C4'-P-C4' energy: -18.695
flat angles P-C4'-P energy: -13.558
tors. eta vs tors. theta energy: -26.522
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: 2
=====================================
Write number: 144
Temperature: 1.000000
Total energy: -279.340019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.340019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.340019 (E_RNA)
where:
Base-Base interactions energy: -185.740
where: short stacking energy: -76.598
Base-Backbone interact. energy: -0.000
local terms energy: -93.599302
where:
bonds (distance) C4'-P energy: -19.691
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -16.983
flat angles P-C4'-P energy: -12.639
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: 4, replica: 6
=====================================
Write number: 144
Temperature: 1.050000
Total energy: -272.725806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.725806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.725806 (E_RNA)
where:
Base-Base interactions energy: -182.062
where: short stacking energy: -71.265
Base-Backbone interact. energy: -0.112
local terms energy: -90.551286
where:
bonds (distance) C4'-P energy: -14.310
bonds (distance) P-C4' energy: -21.486
flat angles C4'-P-C4' energy: -19.580
flat angles P-C4'-P energy: -14.329
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: 5, replica: 7
=====================================
Write number: 144
Temperature: 1.100000
Total energy: -261.476501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.476501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.476501 (E_RNA)
where:
Base-Base interactions energy: -177.935
where: short stacking energy: -77.430
Base-Backbone interact. energy: -0.053
local terms energy: -83.488200
where:
bonds (distance) C4'-P energy: -18.262
bonds (distance) P-C4' energy: -13.171
flat angles C4'-P-C4' energy: -18.342
flat angles P-C4'-P energy: -13.758
tors. eta vs tors. theta energy: -19.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 144
Temperature: 1.150000
Total energy: -256.504953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.504953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.504953 (E_RNA)
where:
Base-Base interactions energy: -178.852
where: short stacking energy: -80.749
Base-Backbone interact. energy: -0.003
local terms energy: -77.650207
where:
bonds (distance) C4'-P energy: -15.547
bonds (distance) P-C4' energy: -15.672
flat angles C4'-P-C4' energy: -15.401
flat angles P-C4'-P energy: -6.382
tors. eta vs tors. theta energy: -24.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 144
Temperature: 1.200000
Total energy: -187.406588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.406588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.406588 (E_RNA)
where:
Base-Base interactions energy: -132.210
where: short stacking energy: -51.294
Base-Backbone interact. energy: -0.292
local terms energy: -54.905206
where:
bonds (distance) C4'-P energy: -12.359
bonds (distance) P-C4' energy: -14.395
flat angles C4'-P-C4' energy: -10.249
flat angles P-C4'-P energy: -8.591
tors. eta vs tors. theta energy: -9.311
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: 1
=====================================
Write number: 144
Temperature: 1.250000
Total energy: -98.948315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.948315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.948315 (E_RNA)
where:
Base-Base interactions energy: -34.319
where: short stacking energy: -33.918
Base-Backbone interact. energy: -0.789
local terms energy: -63.839926
where:
bonds (distance) C4'-P energy: -17.741
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -13.481
flat angles P-C4'-P energy: -11.910
tors. eta vs tors. theta energy: -4.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 144
Temperature: 1.300000
Total energy: -100.166111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.166111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.166111 (E_RNA)
where:
Base-Base interactions energy: -36.541
where: short stacking energy: -35.065
Base-Backbone interact. energy: -0.093
local terms energy: -63.532441
where:
bonds (distance) C4'-P energy: -17.216
bonds (distance) P-C4' energy: -15.857
flat angles C4'-P-C4' energy: -18.481
flat angles P-C4'-P energy: -4.973
tors. eta vs tors. theta energy: -7.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 144
Temperature: 1.350000
Total energy: -86.660506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.660506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.660506 (E_RNA)
where:
Base-Base interactions energy: -35.714
where: short stacking energy: -32.930
Base-Backbone interact. energy: -0.928
local terms energy: -50.018458
where:
bonds (distance) C4'-P energy: -12.209
bonds (distance) P-C4' energy: -19.532
flat angles C4'-P-C4' energy: -10.807
flat angles P-C4'-P energy: -7.466
tors. eta vs tors. theta energy: -0.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 145
Temperature: 0.900000
Total energy: -283.406401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.406401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.406401 (E_RNA)
where:
Base-Base interactions energy: -189.171
where: short stacking energy: -82.224
Base-Backbone interact. energy: -0.155
local terms energy: -94.080431
where:
bonds (distance) C4'-P energy: -16.841
bonds (distance) P-C4' energy: -20.133
flat angles C4'-P-C4' energy: -18.288
flat angles P-C4'-P energy: -14.584
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: 145
Temperature: 0.950000
Total energy: -278.075557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.075557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.075557 (E_RNA)
where:
Base-Base interactions energy: -190.324
where: short stacking energy: -72.252
Base-Backbone interact. energy: -0.241
local terms energy: -87.510869
where:
bonds (distance) C4'-P energy: -15.807
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -18.931
flat angles P-C4'-P energy: -15.040
tors. eta vs tors. theta energy: -21.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 145
Temperature: 1.000000
Total energy: -277.219619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.219619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.219619 (E_RNA)
where:
Base-Base interactions energy: -190.819
where: short stacking energy: -75.435
Base-Backbone interact. energy: -0.946
local terms energy: -85.455310
where:
bonds (distance) C4'-P energy: -18.200
bonds (distance) P-C4' energy: -17.275
flat angles C4'-P-C4' energy: -18.020
flat angles P-C4'-P energy: -12.843
tors. eta vs tors. theta energy: -19.118
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 145
Temperature: 1.050000
Total energy: -267.466753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.466753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.466753 (E_RNA)
where:
Base-Base interactions energy: -183.598
where: short stacking energy: -72.260
Base-Backbone interact. energy: -2.059
local terms energy: -81.809735
where:
bonds (distance) C4'-P energy: -15.952
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -17.613
flat angles P-C4'-P energy: -10.417
tors. eta vs tors. theta energy: -20.175
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 145
Temperature: 1.100000
Total energy: -264.938565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.938565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.938565 (E_RNA)
where:
Base-Base interactions energy: -185.175
where: short stacking energy: -76.330
Base-Backbone interact. energy: -0.091
local terms energy: -79.671674
where:
bonds (distance) C4'-P energy: -10.697
bonds (distance) P-C4' energy: -13.242
flat angles C4'-P-C4' energy: -19.082
flat angles P-C4'-P energy: -12.575
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: 6, replica: 10
=====================================
Write number: 145
Temperature: 1.150000
Total energy: -254.418572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.418572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.418572 (E_RNA)
where:
Base-Base interactions energy: -169.270
where: short stacking energy: -65.570
Base-Backbone interact. energy: -0.164
local terms energy: -84.984660
where:
bonds (distance) C4'-P energy: -19.338
bonds (distance) P-C4' energy: -14.825
flat angles C4'-P-C4' energy: -18.184
flat angles P-C4'-P energy: -9.886
tors. eta vs tors. theta energy: -22.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 145
Temperature: 1.200000
Total energy: -191.091105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.091105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.091105 (E_RNA)
where:
Base-Base interactions energy: -117.249
where: short stacking energy: -58.471
Base-Backbone interact. energy: -0.539
local terms energy: -73.303265
where:
bonds (distance) C4'-P energy: -15.104
bonds (distance) P-C4' energy: -15.137
flat angles C4'-P-C4' energy: -18.826
flat angles P-C4'-P energy: -7.198
tors. eta vs tors. theta energy: -17.039
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: 8
=====================================
Write number: 145
Temperature: 1.250000
Total energy: -89.054181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.054181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.054181 (E_RNA)
where:
Base-Base interactions energy: -35.237
where: short stacking energy: -32.523
Base-Backbone interact. energy: -0.276
local terms energy: -53.540547
where:
bonds (distance) C4'-P energy: -17.487
bonds (distance) P-C4' energy: -19.778
flat angles C4'-P-C4' energy: -10.268
flat angles P-C4'-P energy: -6.771
tors. eta vs tors. theta energy: 0.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 145
Temperature: 1.300000
Total energy: -87.582290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.582290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.582290 (E_RNA)
where:
Base-Base interactions energy: -36.232
where: short stacking energy: -38.243
Base-Backbone interact. energy: 1.086
local terms energy: -52.436935
where:
bonds (distance) C4'-P energy: -9.002
bonds (distance) P-C4' energy: -16.725
flat angles C4'-P-C4' energy: -13.790
flat angles P-C4'-P energy: -11.221
tors. eta vs tors. theta energy: -1.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 145
Temperature: 1.350000
Total energy: -88.011880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.011880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.011880 (E_RNA)
where:
Base-Base interactions energy: -34.854
where: short stacking energy: -25.785
Base-Backbone interact. energy: -0.079
local terms energy: -53.079375
where:
bonds (distance) C4'-P energy: -13.352
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -12.487
flat angles P-C4'-P energy: -8.841
tors. eta vs tors. theta energy: -0.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 146
Temperature: 0.900000
Total energy: -282.976538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.976538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.976538 (E_RNA)
where:
Base-Base interactions energy: -192.154
where: short stacking energy: -75.085
Base-Backbone interact. energy: -0.489
local terms energy: -90.333386
where:
bonds (distance) C4'-P energy: -18.668
bonds (distance) P-C4' energy: -14.609
flat angles C4'-P-C4' energy: -18.040
flat angles P-C4'-P energy: -16.669
tors. eta vs tors. theta energy: -22.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 146
Temperature: 0.950000
Total energy: -273.768415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.768415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.768415 (E_RNA)
where:
Base-Base interactions energy: -179.370
where: short stacking energy: -81.675
Base-Backbone interact. energy: -0.562
local terms energy: -93.836404
where:
bonds (distance) C4'-P energy: -15.910
bonds (distance) P-C4' energy: -19.028
flat angles C4'-P-C4' energy: -20.074
flat angles P-C4'-P energy: -14.676
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: 3, replica: 7
=====================================
Write number: 146
Temperature: 1.000000
Total energy: -281.427061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.427061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.427061 (E_RNA)
where:
Base-Base interactions energy: -192.208
where: short stacking energy: -76.823
Base-Backbone interact. energy: -0.587
local terms energy: -88.632531
where:
bonds (distance) C4'-P energy: -19.053
bonds (distance) P-C4' energy: -15.973
flat angles C4'-P-C4' energy: -17.637
flat angles P-C4'-P energy: -14.081
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: 4, replica: 4
=====================================
Write number: 146
Temperature: 1.050000
Total energy: -276.095092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.095092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.095092 (E_RNA)
where:
Base-Base interactions energy: -188.534
where: short stacking energy: -74.488
Base-Backbone interact. energy: -0.006
local terms energy: -87.555064
where:
bonds (distance) C4'-P energy: -13.485
bonds (distance) P-C4' energy: -15.930
flat angles C4'-P-C4' energy: -21.510
flat angles P-C4'-P energy: -12.324
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: 5, replica: 10
=====================================
Write number: 146
Temperature: 1.100000
Total energy: -258.711214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.711214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.711214 (E_RNA)
where:
Base-Base interactions energy: -179.054
where: short stacking energy: -67.898
Base-Backbone interact. energy: -0.602
local terms energy: -79.055294
where:
bonds (distance) C4'-P energy: -10.028
bonds (distance) P-C4' energy: -19.425
flat angles C4'-P-C4' energy: -12.704
flat angles P-C4'-P energy: -15.124
tors. eta vs tors. theta energy: -21.774
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: 6
=====================================
Write number: 146
Temperature: 1.150000
Total energy: -268.029285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.029285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.029285 (E_RNA)
where:
Base-Base interactions energy: -193.995
where: short stacking energy: -78.198
Base-Backbone interact. energy: -0.075
local terms energy: -73.959085
where:
bonds (distance) C4'-P energy: -14.868
bonds (distance) P-C4' energy: -18.045
flat angles C4'-P-C4' energy: -8.618
flat angles P-C4'-P energy: -9.618
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: 7, replica: 5
=====================================
Write number: 146
Temperature: 1.200000
Total energy: -191.883698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.883698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.883698 (E_RNA)
where:
Base-Base interactions energy: -119.443
where: short stacking energy: -54.169
Base-Backbone interact. energy: -0.005
local terms energy: -72.434845
where:
bonds (distance) C4'-P energy: -16.507
bonds (distance) P-C4' energy: -17.156
flat angles C4'-P-C4' energy: -15.748
flat angles P-C4'-P energy: -11.276
tors. eta vs tors. theta energy: -11.748
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: 8, replica: 8
=====================================
Write number: 146
Temperature: 1.250000
Total energy: -102.018816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.018816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.018816 (E_RNA)
where:
Base-Base interactions energy: -32.277
where: short stacking energy: -32.277
Base-Backbone interact. energy: -0.341
local terms energy: -69.401230
where:
bonds (distance) C4'-P energy: -15.468
bonds (distance) P-C4' energy: -20.771
flat angles C4'-P-C4' energy: -13.212
flat angles P-C4'-P energy: -11.641
tors. eta vs tors. theta energy: -8.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 146
Temperature: 1.300000
Total energy: -101.939772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.939772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.939772 (E_RNA)
where:
Base-Base interactions energy: -39.045
where: short stacking energy: -39.045
Base-Backbone interact. energy: -0.073
local terms energy: -62.821120
where:
bonds (distance) C4'-P energy: -18.954
bonds (distance) P-C4' energy: -19.284
flat angles C4'-P-C4' energy: -14.426
flat angles P-C4'-P energy: -11.370
tors. eta vs tors. theta energy: 1.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 146
Temperature: 1.350000
Total energy: -93.397581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.397581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.397581 (E_RNA)
where:
Base-Base interactions energy: -34.188
where: short stacking energy: -34.060
Base-Backbone interact. energy: -0.258
local terms energy: -58.951432
where:
bonds (distance) C4'-P energy: -17.563
bonds (distance) P-C4' energy: -11.872
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -10.311
tors. eta vs tors. theta energy: -4.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 147
Temperature: 0.900000
Total energy: -290.332025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.332025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.332025 (E_RNA)
where:
Base-Base interactions energy: -191.083
where: short stacking energy: -80.855
Base-Backbone interact. energy: -1.425
local terms energy: -97.824264
where:
bonds (distance) C4'-P energy: -17.447
bonds (distance) P-C4' energy: -17.963
flat angles C4'-P-C4' energy: -20.111
flat angles P-C4'-P energy: -14.814
tors. eta vs tors. theta energy: -27.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 147
Temperature: 0.950000
Total energy: -284.295668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.295668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.295668 (E_RNA)
where:
Base-Base interactions energy: -195.255
where: short stacking energy: -78.854
Base-Backbone interact. energy: -0.138
local terms energy: -88.902702
where:
bonds (distance) C4'-P energy: -19.115
bonds (distance) P-C4' energy: -19.238
flat angles C4'-P-C4' energy: -15.987
flat angles P-C4'-P energy: -10.017
tors. eta vs tors. theta energy: -24.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 147
Temperature: 1.000000
Total energy: -283.362357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.362357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.362357 (E_RNA)
where:
Base-Base interactions energy: -195.650
where: short stacking energy: -72.409
Base-Backbone interact. energy: -0.777
local terms energy: -86.934958
where:
bonds (distance) C4'-P energy: -14.618
bonds (distance) P-C4' energy: -19.393
flat angles C4'-P-C4' energy: -17.952
flat angles P-C4'-P energy: -14.236
tors. eta vs tors. theta energy: -20.736
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 147
Temperature: 1.050000
Total energy: -266.775648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.775648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.775648 (E_RNA)
where:
Base-Base interactions energy: -175.946
where: short stacking energy: -69.793
Base-Backbone interact. energy: -0.394
local terms energy: -90.435228
where:
bonds (distance) C4'-P energy: -16.784
bonds (distance) P-C4' energy: -17.965
flat angles C4'-P-C4' energy: -19.813
flat angles P-C4'-P energy: -12.520
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: 5, replica: 4
=====================================
Write number: 147
Temperature: 1.100000
Total energy: -269.005685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.005685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.005685 (E_RNA)
where:
Base-Base interactions energy: -182.049
where: short stacking energy: -67.964
Base-Backbone interact. energy: -0.084
local terms energy: -86.872258
where:
bonds (distance) C4'-P energy: -16.954
bonds (distance) P-C4' energy: -18.975
flat angles C4'-P-C4' energy: -19.111
flat angles P-C4'-P energy: -11.640
tors. eta vs tors. theta energy: -20.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 147
Temperature: 1.150000
Total energy: -261.145068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.145068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.145068 (E_RNA)
where:
Base-Base interactions energy: -175.265
where: short stacking energy: -76.416
Base-Backbone interact. energy: -0.374
local terms energy: -85.505513
where:
bonds (distance) C4'-P energy: -17.178
bonds (distance) P-C4' energy: -14.433
flat angles C4'-P-C4' energy: -17.101
flat angles P-C4'-P energy: -14.329
tors. eta vs tors. theta energy: -22.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 147
Temperature: 1.200000
Total energy: -256.858773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.858773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.858773 (E_RNA)
where:
Base-Base interactions energy: -173.210
where: short stacking energy: -73.597
Base-Backbone interact. energy: -0.233
local terms energy: -83.415919
where:
bonds (distance) C4'-P energy: -12.860
bonds (distance) P-C4' energy: -19.918
flat angles C4'-P-C4' energy: -19.316
flat angles P-C4'-P energy: -9.758
tors. eta vs tors. theta energy: -21.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 147
Temperature: 1.250000
Total energy: -93.407522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.407522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.407522 (E_RNA)
where:
Base-Base interactions energy: -41.969
where: short stacking energy: -41.754
Base-Backbone interact. energy: -0.198
local terms energy: -51.239991
where:
bonds (distance) C4'-P energy: -13.418
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -8.116
flat angles P-C4'-P energy: -8.053
tors. eta vs tors. theta energy: -5.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 147
Temperature: 1.300000
Total energy: -101.375238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.375238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.375238 (E_RNA)
where:
Base-Base interactions energy: -34.414
where: short stacking energy: -33.103
Base-Backbone interact. energy: -0.117
local terms energy: -66.843782
where:
bonds (distance) C4'-P energy: -11.580
bonds (distance) P-C4' energy: -19.161
flat angles C4'-P-C4' energy: -14.662
flat angles P-C4'-P energy: -14.487
tors. eta vs tors. theta energy: -6.954
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: 9
=====================================
Write number: 147
Temperature: 1.350000
Total energy: -83.740255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.740255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.740255 (E_RNA)
where:
Base-Base interactions energy: -24.961
where: short stacking energy: -20.461
Base-Backbone interact. energy: -0.120
local terms energy: -58.658928
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -16.039
flat angles C4'-P-C4' energy: -9.342
flat angles P-C4'-P energy: -11.272
tors. eta vs tors. theta energy: -7.432
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: 1, replica: 2
=====================================
Write number: 148
Temperature: 0.900000
Total energy: -285.138640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.138640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.138640 (E_RNA)
where:
Base-Base interactions energy: -196.622
where: short stacking energy: -83.497
Base-Backbone interact. energy: -0.422
local terms energy: -88.094355
where:
bonds (distance) C4'-P energy: -12.200
bonds (distance) P-C4' energy: -15.837
flat angles C4'-P-C4' energy: -19.069
flat angles P-C4'-P energy: -15.224
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: 2, replica: 3
=====================================
Write number: 148
Temperature: 0.950000
Total energy: -272.310970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.310970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.310970 (E_RNA)
where:
Base-Base interactions energy: -188.479
where: short stacking energy: -81.332
Base-Backbone interact. energy: -0.170
local terms energy: -83.662375
where:
bonds (distance) C4'-P energy: -14.920
bonds (distance) P-C4' energy: -16.956
flat angles C4'-P-C4' energy: -19.583
flat angles P-C4'-P energy: -7.305
tors. eta vs tors. theta energy: -24.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 148
Temperature: 1.000000
Total energy: -282.995023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.995023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.995023 (E_RNA)
where:
Base-Base interactions energy: -201.751
where: short stacking energy: -81.081
Base-Backbone interact. energy: 1.416
local terms energy: -82.659677
where:
bonds (distance) C4'-P energy: -14.379
bonds (distance) P-C4' energy: -14.627
flat angles C4'-P-C4' energy: -18.942
flat angles P-C4'-P energy: -11.927
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: 4, replica: 10
=====================================
Write number: 148
Temperature: 1.050000
Total energy: -256.780605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.780605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.780605 (E_RNA)
where:
Base-Base interactions energy: -172.230
where: short stacking energy: -69.625
Base-Backbone interact. energy: -0.082
local terms energy: -84.469201
where:
bonds (distance) C4'-P energy: -14.619
bonds (distance) P-C4' energy: -19.170
flat angles C4'-P-C4' energy: -18.539
flat angles P-C4'-P energy: -10.156
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: 5, replica: 5
=====================================
Write number: 148
Temperature: 1.100000
Total energy: -268.054820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.054820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.054820 (E_RNA)
where:
Base-Base interactions energy: -184.935
where: short stacking energy: -77.274
Base-Backbone interact. energy: -0.463
local terms energy: -82.655935
where:
bonds (distance) C4'-P energy: -10.713
bonds (distance) P-C4' energy: -19.293
flat angles C4'-P-C4' energy: -18.159
flat angles P-C4'-P energy: -9.452
tors. eta vs tors. theta energy: -25.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 148
Temperature: 1.150000
Total energy: -248.502383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.502383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.502383 (E_RNA)
where:
Base-Base interactions energy: -168.118
where: short stacking energy: -78.889
Base-Backbone interact. energy: -0.040
local terms energy: -80.344109
where:
bonds (distance) C4'-P energy: -10.918
bonds (distance) P-C4' energy: -18.596
flat angles C4'-P-C4' energy: -12.509
flat angles P-C4'-P energy: -15.115
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: 7, replica: 6
=====================================
Write number: 148
Temperature: 1.200000
Total energy: -246.425301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.425301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.425301 (E_RNA)
where:
Base-Base interactions energy: -173.539
where: short stacking energy: -72.091
Base-Backbone interact. energy: -0.024
local terms energy: -72.862275
where:
bonds (distance) C4'-P energy: -14.525
bonds (distance) P-C4' energy: -11.552
flat angles C4'-P-C4' energy: -15.982
flat angles P-C4'-P energy: -8.830
tors. eta vs tors. theta energy: -21.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 148
Temperature: 1.250000
Total energy: -104.727195 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.727195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.727195 (E_RNA)
where:
Base-Base interactions energy: -48.509
where: short stacking energy: -32.565
Base-Backbone interact. energy: 0.214
local terms energy: -56.431713
where:
bonds (distance) C4'-P energy: -13.907
bonds (distance) P-C4' energy: -6.471
flat angles C4'-P-C4' energy: -17.931
flat angles P-C4'-P energy: -12.160
tors. eta vs tors. theta energy: -5.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 148
Temperature: 1.300000
Total energy: -92.841541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.841541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.841541 (E_RNA)
where:
Base-Base interactions energy: -31.875
where: short stacking energy: -31.720
Base-Backbone interact. energy: -0.248
local terms energy: -60.718284
where:
bonds (distance) C4'-P energy: -15.753
bonds (distance) P-C4' energy: -14.657
flat angles C4'-P-C4' energy: -17.952
flat angles P-C4'-P energy: -11.126
tors. eta vs tors. theta energy: -1.230
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: 8
=====================================
Write number: 148
Temperature: 1.350000
Total energy: -79.577150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.577150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.577150 (E_RNA)
where:
Base-Base interactions energy: -25.900
where: short stacking energy: -25.197
Base-Backbone interact. energy: -0.321
local terms energy: -53.355489
where:
bonds (distance) C4'-P energy: -14.191
bonds (distance) P-C4' energy: -20.188
flat angles C4'-P-C4' energy: -10.768
flat angles P-C4'-P energy: -8.948
tors. eta vs tors. theta energy: 0.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 149
Temperature: 0.900000
Total energy: -290.631227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.631227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.631227 (E_RNA)
where:
Base-Base interactions energy: -190.970
where: short stacking energy: -80.098
Base-Backbone interact. energy: 0.949
local terms energy: -100.610322
where:
bonds (distance) C4'-P energy: -19.831
bonds (distance) P-C4' energy: -19.729
flat angles C4'-P-C4' energy: -17.394
flat angles P-C4'-P energy: -15.537
tors. eta vs tors. theta energy: -28.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 149
Temperature: 0.950000
Total energy: -283.453202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.453202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.453202 (E_RNA)
where:
Base-Base interactions energy: -198.064
where: short stacking energy: -79.910
Base-Backbone interact. energy: -0.115
local terms energy: -85.274139
where:
bonds (distance) C4'-P energy: -12.689
bonds (distance) P-C4' energy: -15.778
flat angles C4'-P-C4' energy: -19.811
flat angles P-C4'-P energy: -16.435
tors. eta vs tors. theta energy: -20.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 149
Temperature: 1.000000
Total energy: -268.863713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.863713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.863713 (E_RNA)
where:
Base-Base interactions energy: -185.598
where: short stacking energy: -77.680
Base-Backbone interact. energy: 2.222
local terms energy: -85.487509
where:
bonds (distance) C4'-P energy: -17.559
bonds (distance) P-C4' energy: -16.973
flat angles C4'-P-C4' energy: -18.384
flat angles P-C4'-P energy: -9.494
tors. eta vs tors. theta energy: -23.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 149
Temperature: 1.050000
Total energy: -279.920647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.920647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.920647 (E_RNA)
where:
Base-Base interactions energy: -188.248
where: short stacking energy: -86.429
Base-Backbone interact. energy: -0.418
local terms energy: -91.254428
where:
bonds (distance) C4'-P energy: -15.282
bonds (distance) P-C4' energy: -17.410
flat angles C4'-P-C4' energy: -19.853
flat angles P-C4'-P energy: -13.832
tors. eta vs tors. theta energy: -24.877
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 149
Temperature: 1.100000
Total energy: -266.404164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.404164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.404164 (E_RNA)
where:
Base-Base interactions energy: -177.168
where: short stacking energy: -71.427
Base-Backbone interact. energy: -0.307
local terms energy: -88.928657
where:
bonds (distance) C4'-P energy: -16.204
bonds (distance) P-C4' energy: -18.516
flat angles C4'-P-C4' energy: -18.959
flat angles P-C4'-P energy: -11.945
tors. eta vs tors. theta energy: -23.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 149
Temperature: 1.150000
Total energy: -259.930165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.930165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.930165 (E_RNA)
where:
Base-Base interactions energy: -181.845
where: short stacking energy: -66.806
Base-Backbone interact. energy: 0.026
local terms energy: -78.111893
where:
bonds (distance) C4'-P energy: -12.384
bonds (distance) P-C4' energy: -12.759
flat angles C4'-P-C4' energy: -16.932
flat angles P-C4'-P energy: -14.085
tors. eta vs tors. theta energy: -21.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 149
Temperature: 1.200000
Total energy: -254.184349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.184349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.184349 (E_RNA)
where:
Base-Base interactions energy: -178.626
where: short stacking energy: -63.992
Base-Backbone interact. energy: -0.282
local terms energy: -75.276900
where:
bonds (distance) C4'-P energy: -14.901
bonds (distance) P-C4' energy: -13.576
flat angles C4'-P-C4' energy: -15.656
flat angles P-C4'-P energy: -14.993
tors. eta vs tors. theta energy: -16.150
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: 9
=====================================
Write number: 149
Temperature: 1.250000
Total energy: -94.128028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.128028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.128028 (E_RNA)
where:
Base-Base interactions energy: -44.755
where: short stacking energy: -31.254
Base-Backbone interact. energy: 2.267
local terms energy: -51.639760
where:
bonds (distance) C4'-P energy: -12.127
bonds (distance) P-C4' energy: -14.093
flat angles C4'-P-C4' energy: -10.756
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -3.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 149
Temperature: 1.300000
Total energy: -96.015815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.015815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.015815 (E_RNA)
where:
Base-Base interactions energy: -50.404
where: short stacking energy: -22.502
Base-Backbone interact. energy: -0.438
local terms energy: -45.173316
where:
bonds (distance) C4'-P energy: -12.553
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -10.429
flat angles P-C4'-P energy: -8.568
tors. eta vs tors. theta energy: 1.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 149
Temperature: 1.350000
Total energy: -84.138163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.138163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.138163 (E_RNA)
where:
Base-Base interactions energy: -35.974
where: short stacking energy: -23.089
Base-Backbone interact. energy: -0.759
local terms energy: -47.405693
where:
bonds (distance) C4'-P energy: -10.387
bonds (distance) P-C4' energy: -18.554
flat angles C4'-P-C4' energy: -16.660
flat angles P-C4'-P energy: -2.645
tors. eta vs tors. theta energy: 0.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 150
Temperature: 0.900000
Total energy: -279.302043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.302043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.302043 (E_RNA)
where:
Base-Base interactions energy: -196.873
where: short stacking energy: -80.436
Base-Backbone interact. energy: -0.416
local terms energy: -82.013695
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -13.986
flat angles C4'-P-C4' energy: -19.196
flat angles P-C4'-P energy: -14.490
tors. eta vs tors. theta energy: -17.466
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: 7
=====================================
Write number: 150
Temperature: 0.950000
Total energy: -285.979282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.979282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.979282 (E_RNA)
where:
Base-Base interactions energy: -199.508
where: short stacking energy: -79.131
Base-Backbone interact. energy: -0.619
local terms energy: -85.852385
where:
bonds (distance) C4'-P energy: -18.419
bonds (distance) P-C4' energy: -17.530
flat angles C4'-P-C4' energy: -18.906
flat angles P-C4'-P energy: -7.694
tors. eta vs tors. theta energy: -23.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 150
Temperature: 1.000000
Total energy: -273.093736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.093736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.093736 (E_RNA)
where:
Base-Base interactions energy: -186.269
where: short stacking energy: -73.263
Base-Backbone interact. energy: -2.175
local terms energy: -84.649205
where:
bonds (distance) C4'-P energy: -20.841
bonds (distance) P-C4' energy: -16.208
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -11.965
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: 4, replica: 3
=====================================
Write number: 150
Temperature: 1.050000
Total energy: -273.328391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.328391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.328391 (E_RNA)
where:
Base-Base interactions energy: -182.642
where: short stacking energy: -73.191
Base-Backbone interact. energy: -0.074
local terms energy: -90.612278
where:
bonds (distance) C4'-P energy: -16.797
bonds (distance) P-C4' energy: -19.131
flat angles C4'-P-C4' energy: -17.813
flat angles P-C4'-P energy: -13.316
tors. eta vs tors. theta energy: -23.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 150
Temperature: 1.100000
Total energy: -267.428197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.428197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.428197 (E_RNA)
where:
Base-Base interactions energy: -179.740
where: short stacking energy: -73.844
Base-Backbone interact. energy: -0.906
local terms energy: -86.781664
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -15.198
flat angles C4'-P-C4' energy: -18.652
flat angles P-C4'-P energy: -14.316
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: 6, replica: 5
=====================================
Write number: 150
Temperature: 1.150000
Total energy: -262.144701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.144701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.144701 (E_RNA)
where:
Base-Base interactions energy: -178.088
where: short stacking energy: -61.254
Base-Backbone interact. energy: -0.089
local terms energy: -83.967494
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -21.060
flat angles C4'-P-C4' energy: -17.670
flat angles P-C4'-P energy: -11.913
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: 7, replica: 4
=====================================
Write number: 150
Temperature: 1.200000
Total energy: -257.238054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.238054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.238054 (E_RNA)
where:
Base-Base interactions energy: -186.166
where: short stacking energy: -74.101
Base-Backbone interact. energy: -0.106
local terms energy: -70.965894
where:
bonds (distance) C4'-P energy: -15.935
bonds (distance) P-C4' energy: -14.999
flat angles C4'-P-C4' energy: -9.155
flat angles P-C4'-P energy: -12.645
tors. eta vs tors. theta energy: -18.231
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: 9
=====================================
Write number: 150
Temperature: 1.250000
Total energy: -98.534301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.534301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.534301 (E_RNA)
where:
Base-Base interactions energy: -35.497
where: short stacking energy: -32.660
Base-Backbone interact. energy: -0.596
local terms energy: -62.440960
where:
bonds (distance) C4'-P energy: -18.212
bonds (distance) P-C4' energy: -14.175
flat angles C4'-P-C4' energy: -18.954
flat angles P-C4'-P energy: -7.861
tors. eta vs tors. theta energy: -3.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 150
Temperature: 1.300000
Total energy: -103.979485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.979485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.979485 (E_RNA)
where:
Base-Base interactions energy: -47.533
where: short stacking energy: -38.429
Base-Backbone interact. energy: 1.274
local terms energy: -57.720713
where:
bonds (distance) C4'-P energy: -16.233
bonds (distance) P-C4' energy: -11.218
flat angles C4'-P-C4' energy: -14.773
flat angles P-C4'-P energy: -11.373
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: 10, replica: 1
=====================================
Write number: 150
Temperature: 1.350000
Total energy: -90.736800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.736800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.736800 (E_RNA)
where:
Base-Base interactions energy: -36.680
where: short stacking energy: -33.539
Base-Backbone interact. energy: 1.294
local terms energy: -55.351157
where:
bonds (distance) C4'-P energy: -7.682
bonds (distance) P-C4' energy: -18.967
flat angles C4'-P-C4' energy: -15.917
flat angles P-C4'-P energy: -11.467
tors. eta vs tors. theta energy: -1.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 151
Temperature: 0.900000
Total energy: -292.483164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.483164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.483164 (E_RNA)
where:
Base-Base interactions energy: -197.766
where: short stacking energy: -78.365
Base-Backbone interact. energy: -0.675
local terms energy: -94.042091
where:
bonds (distance) C4'-P energy: -18.498
bonds (distance) P-C4' energy: -18.350
flat angles C4'-P-C4' energy: -17.160
flat angles P-C4'-P energy: -12.298
tors. eta vs tors. theta energy: -27.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 151
Temperature: 0.950000
Total energy: -279.879652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.879652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.879652 (E_RNA)
where:
Base-Base interactions energy: -190.408
where: short stacking energy: -72.056
Base-Backbone interact. energy: -0.116
local terms energy: -89.356320
where:
bonds (distance) C4'-P energy: -16.917
bonds (distance) P-C4' energy: -18.449
flat angles C4'-P-C4' energy: -18.541
flat angles P-C4'-P energy: -14.939
tors. eta vs tors. theta energy: -20.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 151
Temperature: 1.000000
Total energy: -276.603393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.603393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.603393 (E_RNA)
where:
Base-Base interactions energy: -191.774
where: short stacking energy: -69.040
Base-Backbone interact. energy: -0.380
local terms energy: -84.449096
where:
bonds (distance) C4'-P energy: -16.557
bonds (distance) P-C4' energy: -16.441
flat angles C4'-P-C4' energy: -19.652
flat angles P-C4'-P energy: -11.433
tors. eta vs tors. theta energy: -20.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 151
Temperature: 1.050000
Total energy: -267.422677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.422677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.422677 (E_RNA)
where:
Base-Base interactions energy: -184.910
where: short stacking energy: -75.215
Base-Backbone interact. energy: -0.530
local terms energy: -81.982162
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -16.017
flat angles P-C4'-P energy: -12.520
tors. eta vs tors. theta energy: -21.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 151
Temperature: 1.100000
Total energy: -267.531757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.531757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.531757 (E_RNA)
where:
Base-Base interactions energy: -183.317
where: short stacking energy: -73.251
Base-Backbone interact. energy: -0.263
local terms energy: -83.951807
where:
bonds (distance) C4'-P energy: -13.602
bonds (distance) P-C4' energy: -15.604
flat angles C4'-P-C4' energy: -18.480
flat angles P-C4'-P energy: -13.427
tors. eta vs tors. theta energy: -22.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 151
Temperature: 1.150000
Total energy: -231.788820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.788820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.788820 (E_RNA)
where:
Base-Base interactions energy: -153.757
where: short stacking energy: -66.519
Base-Backbone interact. energy: -0.690
local terms energy: -77.341814
where:
bonds (distance) C4'-P energy: -16.478
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -15.649
flat angles P-C4'-P energy: -10.679
tors. eta vs tors. theta energy: -17.407
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: 4
=====================================
Write number: 151
Temperature: 1.200000
Total energy: -267.972440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.972440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.972440 (E_RNA)
where:
Base-Base interactions energy: -185.199
where: short stacking energy: -77.366
Base-Backbone interact. energy: 0.731
local terms energy: -83.504376
where:
bonds (distance) C4'-P energy: -8.852
bonds (distance) P-C4' energy: -19.161
flat angles C4'-P-C4' energy: -17.494
flat angles P-C4'-P energy: -12.405
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: 8, replica: 8
=====================================
Write number: 151
Temperature: 1.250000
Total energy: -109.177351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.177351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.177351 (E_RNA)
where:
Base-Base interactions energy: -50.549
where: short stacking energy: -35.981
Base-Backbone interact. energy: -0.111
local terms energy: -58.517871
where:
bonds (distance) C4'-P energy: -12.219
bonds (distance) P-C4' energy: -14.571
flat angles C4'-P-C4' energy: -13.295
flat angles P-C4'-P energy: -8.051
tors. eta vs tors. theta energy: -10.383
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: 9
=====================================
Write number: 151
Temperature: 1.300000
Total energy: -94.529372 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.529372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.529372 (E_RNA)
where:
Base-Base interactions energy: -36.796
where: short stacking energy: -36.796
Base-Backbone interact. energy: -0.109
local terms energy: -57.624278
where:
bonds (distance) C4'-P energy: -16.433
bonds (distance) P-C4' energy: -20.222
flat angles C4'-P-C4' energy: -4.448
flat angles P-C4'-P energy: -8.878
tors. eta vs tors. theta energy: -7.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 151
Temperature: 1.350000
Total energy: -90.597388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.597388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.597388 (E_RNA)
where:
Base-Base interactions energy: -41.880
where: short stacking energy: -24.406
Base-Backbone interact. energy: 0.532
local terms energy: -49.248892
where:
bonds (distance) C4'-P energy: -16.231
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -9.763
flat angles P-C4'-P energy: -9.511
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: 10
=====================================
Write number: 152
Temperature: 0.900000
Total energy: -279.440747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.440747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.440747 (E_RNA)
where:
Base-Base interactions energy: -196.088
where: short stacking energy: -76.786
Base-Backbone interact. energy: -0.791
local terms energy: -82.562478
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -14.763
flat angles C4'-P-C4' energy: -17.764
flat angles P-C4'-P energy: -15.034
tors. eta vs tors. theta energy: -20.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 152
Temperature: 0.950000
Total energy: -285.331948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.331948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.331948 (E_RNA)
where:
Base-Base interactions energy: -193.172
where: short stacking energy: -75.995
Base-Backbone interact. energy: -0.018
local terms energy: -92.141796
where:
bonds (distance) C4'-P energy: -15.169
bonds (distance) P-C4' energy: -19.242
flat angles C4'-P-C4' energy: -17.162
flat angles P-C4'-P energy: -13.560
tors. eta vs tors. theta energy: -27.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 152
Temperature: 1.000000
Total energy: -279.423546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.423546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.423546 (E_RNA)
where:
Base-Base interactions energy: -193.075
where: short stacking energy: -77.877
Base-Backbone interact. energy: -0.044
local terms energy: -86.304682
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -19.741
flat angles C4'-P-C4' energy: -17.801
flat angles P-C4'-P energy: -11.246
tors. eta vs tors. theta energy: -22.987
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: 152
Temperature: 1.050000
Total energy: -273.915281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.915281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.915281 (E_RNA)
where:
Base-Base interactions energy: -191.717
where: short stacking energy: -65.576
Base-Backbone interact. energy: -0.135
local terms energy: -82.063822
where:
bonds (distance) C4'-P energy: -18.631
bonds (distance) P-C4' energy: -13.763
flat angles C4'-P-C4' energy: -19.676
flat angles P-C4'-P energy: -9.466
tors. eta vs tors. theta energy: -20.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 152
Temperature: 1.100000
Total energy: -271.123676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.123676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.123676 (E_RNA)
where:
Base-Base interactions energy: -185.634
where: short stacking energy: -73.605
Base-Backbone interact. energy: -0.431
local terms energy: -85.058595
where:
bonds (distance) C4'-P energy: -15.306
bonds (distance) P-C4' energy: -21.412
flat angles C4'-P-C4' energy: -17.738
flat angles P-C4'-P energy: -9.361
tors. eta vs tors. theta energy: -21.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 152
Temperature: 1.150000
Total energy: -263.742193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.742193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.742193 (E_RNA)
where:
Base-Base interactions energy: -179.858
where: short stacking energy: -73.225
Base-Backbone interact. energy: -0.012
local terms energy: -83.872751
where:
bonds (distance) C4'-P energy: -18.376
bonds (distance) P-C4' energy: -15.732
flat angles C4'-P-C4' energy: -15.113
flat angles P-C4'-P energy: -12.644
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: 7, replica: 4
=====================================
Write number: 152
Temperature: 1.200000
Total energy: -257.680638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.680638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.680638 (E_RNA)
where:
Base-Base interactions energy: -178.093
where: short stacking energy: -78.435
Base-Backbone interact. energy: -0.094
local terms energy: -79.493213
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -11.802
flat angles C4'-P-C4' energy: -18.029
flat angles P-C4'-P energy: -6.279
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: 8, replica: 8
=====================================
Write number: 152
Temperature: 1.250000
Total energy: -134.910473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.910473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.910473 (E_RNA)
where:
Base-Base interactions energy: -72.156
where: short stacking energy: -42.784
Base-Backbone interact. energy: 0.836
local terms energy: -63.589638
where:
bonds (distance) C4'-P energy: -18.841
bonds (distance) P-C4' energy: -9.922
flat angles C4'-P-C4' energy: -18.369
flat angles P-C4'-P energy: -7.331
tors. eta vs tors. theta energy: -9.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 152
Temperature: 1.300000
Total energy: -119.931253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -119.931253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -119.931253 (E_RNA)
where:
Base-Base interactions energy: -69.351
where: short stacking energy: -37.464
Base-Backbone interact. energy: -0.093
local terms energy: -50.487006
where:
bonds (distance) C4'-P energy: -16.175
bonds (distance) P-C4' energy: -13.345
flat angles C4'-P-C4' energy: -12.862
flat angles P-C4'-P energy: -5.683
tors. eta vs tors. theta energy: -2.421
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 152
Temperature: 1.350000
Total energy: -96.385150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.385150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.385150 (E_RNA)
where:
Base-Base interactions energy: -38.973
where: short stacking energy: -34.815
Base-Backbone interact. energy: 0.277
local terms energy: -57.689244
where:
bonds (distance) C4'-P energy: -10.062
bonds (distance) P-C4' energy: -20.777
flat angles C4'-P-C4' energy: -18.513
flat angles P-C4'-P energy: -7.447
tors. eta vs tors. theta energy: -0.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 153
Temperature: 0.900000
Total energy: -289.136012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.136012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.136012 (E_RNA)
where:
Base-Base interactions energy: -199.396
where: short stacking energy: -79.249
Base-Backbone interact. energy: -1.488
local terms energy: -88.251931
where:
bonds (distance) C4'-P energy: -16.950
bonds (distance) P-C4' energy: -19.998
flat angles C4'-P-C4' energy: -17.862
flat angles P-C4'-P energy: -12.471
tors. eta vs tors. theta energy: -20.970
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: 6
=====================================
Write number: 153
Temperature: 0.950000
Total energy: -283.305879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.305879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.305879 (E_RNA)
where:
Base-Base interactions energy: -188.269
where: short stacking energy: -82.269
Base-Backbone interact. energy: -1.541
local terms energy: -93.496356
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -20.302
flat angles C4'-P-C4' energy: -18.763
flat angles P-C4'-P energy: -13.290
tors. eta vs tors. theta energy: -25.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 153
Temperature: 1.000000
Total energy: -283.110036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.110036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.110036 (E_RNA)
where:
Base-Base interactions energy: -183.496
where: short stacking energy: -75.014
Base-Backbone interact. energy: -0.311
local terms energy: -99.302913
where:
bonds (distance) C4'-P energy: -20.813
bonds (distance) P-C4' energy: -18.846
flat angles C4'-P-C4' energy: -20.911
flat angles P-C4'-P energy: -10.652
tors. eta vs tors. theta energy: -28.082
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: 7
=====================================
Write number: 153
Temperature: 1.050000
Total energy: -277.409353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.409353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.409353 (E_RNA)
where:
Base-Base interactions energy: -183.306
where: short stacking energy: -73.200
Base-Backbone interact. energy: -0.129
local terms energy: -93.973915
where:
bonds (distance) C4'-P energy: -18.693
bonds (distance) P-C4' energy: -18.823
flat angles C4'-P-C4' energy: -19.013
flat angles P-C4'-P energy: -13.796
tors. eta vs tors. theta energy: -23.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 153
Temperature: 1.100000
Total energy: -267.742557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.742557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.742557 (E_RNA)
where:
Base-Base interactions energy: -185.106
where: short stacking energy: -70.435
Base-Backbone interact. energy: -0.222
local terms energy: -82.414142
where:
bonds (distance) C4'-P energy: -17.802
bonds (distance) P-C4' energy: -12.458
flat angles C4'-P-C4' energy: -19.091
flat angles P-C4'-P energy: -12.875
tors. eta vs tors. theta energy: -20.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 153
Temperature: 1.150000
Total energy: -258.072383 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.072383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.072383 (E_RNA)
where:
Base-Base interactions energy: -174.401
where: short stacking energy: -72.327
Base-Backbone interact. energy: -0.899
local terms energy: -82.772357
where:
bonds (distance) C4'-P energy: -19.086
bonds (distance) P-C4' energy: -17.522
flat angles C4'-P-C4' energy: -17.187
flat angles P-C4'-P energy: -7.647
tors. eta vs tors. theta energy: -21.332
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: 4
=====================================
Write number: 153
Temperature: 1.200000
Total energy: -245.991324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.991324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.991324 (E_RNA)
where:
Base-Base interactions energy: -169.279
where: short stacking energy: -64.494
Base-Backbone interact. energy: -0.005
local terms energy: -76.706952
where:
bonds (distance) C4'-P energy: -16.896
bonds (distance) P-C4' energy: -17.951
flat angles C4'-P-C4' energy: -16.304
flat angles P-C4'-P energy: -7.226
tors. eta vs tors. theta energy: -18.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 153
Temperature: 1.250000
Total energy: -147.019393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.019393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.019393 (E_RNA)
where:
Base-Base interactions energy: -81.947
where: short stacking energy: -51.332
Base-Backbone interact. energy: -0.081
local terms energy: -64.991319
where:
bonds (distance) C4'-P energy: -11.046
bonds (distance) P-C4' energy: -14.686
flat angles C4'-P-C4' energy: -14.467
flat angles P-C4'-P energy: -12.541
tors. eta vs tors. theta energy: -12.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 153
Temperature: 1.300000
Total energy: -94.553124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.553124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.553124 (E_RNA)
where:
Base-Base interactions energy: -43.458
where: short stacking energy: -33.422
Base-Backbone interact. energy: -0.252
local terms energy: -50.843327
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -15.974
flat angles C4'-P-C4' energy: -16.041
flat angles P-C4'-P energy: -4.330
tors. eta vs tors. theta energy: -2.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 153
Temperature: 1.350000
Total energy: -87.549800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.549800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.549800 (E_RNA)
where:
Base-Base interactions energy: -34.744
where: short stacking energy: -26.055
Base-Backbone interact. energy: -0.174
local terms energy: -52.630906
where:
bonds (distance) C4'-P energy: -7.154
bonds (distance) P-C4' energy: -9.678
flat angles C4'-P-C4' energy: -16.909
flat angles P-C4'-P energy: -13.895
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: 1, replica: 6
=====================================
Write number: 154
Temperature: 0.900000
Total energy: -295.861899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.861899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.861899 (E_RNA)
where:
Base-Base interactions energy: -203.006
where: short stacking energy: -78.406
Base-Backbone interact. energy: -0.168
local terms energy: -92.687801
where:
bonds (distance) C4'-P energy: -16.515
bonds (distance) P-C4' energy: -14.903
flat angles C4'-P-C4' energy: -21.125
flat angles P-C4'-P energy: -15.902
tors. eta vs tors. theta energy: -24.243
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: 10
=====================================
Write number: 154
Temperature: 0.950000
Total energy: -293.170410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.170410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.170410 (E_RNA)
where:
Base-Base interactions energy: -202.554
where: short stacking energy: -76.206
Base-Backbone interact. energy: -0.474
local terms energy: -90.141895
where:
bonds (distance) C4'-P energy: -15.092
bonds (distance) P-C4' energy: -19.231
flat angles C4'-P-C4' energy: -19.923
flat angles P-C4'-P energy: -13.808
tors. eta vs tors. theta energy: -22.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 154
Temperature: 1.000000
Total energy: -273.775885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.775885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.775885 (E_RNA)
where:
Base-Base interactions energy: -187.108
where: short stacking energy: -86.719
Base-Backbone interact. energy: -0.046
local terms energy: -86.621663
where:
bonds (distance) C4'-P energy: -17.881
bonds (distance) P-C4' energy: -15.239
flat angles C4'-P-C4' energy: -17.184
flat angles P-C4'-P energy: -10.832
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: 4, replica: 2
=====================================
Write number: 154
Temperature: 1.050000
Total energy: -275.124167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.124167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.124167 (E_RNA)
where:
Base-Base interactions energy: -184.191
where: short stacking energy: -65.944
Base-Backbone interact. energy: -1.333
local terms energy: -89.599867
where:
bonds (distance) C4'-P energy: -18.486
bonds (distance) P-C4' energy: -18.834
flat angles C4'-P-C4' energy: -18.259
flat angles P-C4'-P energy: -11.442
tors. eta vs tors. theta energy: -22.578
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: 5, replica: 3
=====================================
Write number: 154
Temperature: 1.100000
Total energy: -269.603986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.603986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.603986 (E_RNA)
where:
Base-Base interactions energy: -179.530
where: short stacking energy: -66.992
Base-Backbone interact. energy: -0.863
local terms energy: -89.211661
where:
bonds (distance) C4'-P energy: -16.583
bonds (distance) P-C4' energy: -20.717
flat angles C4'-P-C4' energy: -17.400
flat angles P-C4'-P energy: -13.774
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: 6, replica: 5
=====================================
Write number: 154
Temperature: 1.150000
Total energy: -262.058671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.058671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.058671 (E_RNA)
where:
Base-Base interactions energy: -186.148
where: short stacking energy: -73.207
Base-Backbone interact. energy: -0.445
local terms energy: -75.465986
where:
bonds (distance) C4'-P energy: -15.716
bonds (distance) P-C4' energy: -12.276
flat angles C4'-P-C4' energy: -17.146
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -19.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 154
Temperature: 1.200000
Total energy: -227.905873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.905873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.905873 (E_RNA)
where:
Base-Base interactions energy: -154.022
where: short stacking energy: -67.712
Base-Backbone interact. energy: -0.009
local terms energy: -73.875334
where:
bonds (distance) C4'-P energy: -19.112
bonds (distance) P-C4' energy: -12.346
flat angles C4'-P-C4' energy: -13.540
flat angles P-C4'-P energy: -7.529
tors. eta vs tors. theta energy: -21.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 154
Temperature: 1.250000
Total energy: -130.500289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.500289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.500289 (E_RNA)
where:
Base-Base interactions energy: -73.198
where: short stacking energy: -45.535
Base-Backbone interact. energy: 0.895
local terms energy: -58.197312
where:
bonds (distance) C4'-P energy: -15.982
bonds (distance) P-C4' energy: -10.361
flat angles C4'-P-C4' energy: -16.133
flat angles P-C4'-P energy: -9.282
tors. eta vs tors. theta energy: -6.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 154
Temperature: 1.300000
Total energy: -96.640576 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.640576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.640576 (E_RNA)
where:
Base-Base interactions energy: -32.453
where: short stacking energy: -26.516
Base-Backbone interact. energy: -0.956
local terms energy: -63.230922
where:
bonds (distance) C4'-P energy: -20.278
bonds (distance) P-C4' energy: -13.392
flat angles C4'-P-C4' energy: -14.548
flat angles P-C4'-P energy: -9.713
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: 9
=====================================
Write number: 154
Temperature: 1.350000
Total energy: -82.071933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.071933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.071933 (E_RNA)
where:
Base-Base interactions energy: -22.986
where: short stacking energy: -21.824
Base-Backbone interact. energy: -0.510
local terms energy: -58.575222
where:
bonds (distance) C4'-P energy: -15.209
bonds (distance) P-C4' energy: -20.578
flat angles C4'-P-C4' energy: -12.985
flat angles P-C4'-P energy: -7.854
tors. eta vs tors. theta energy: -1.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 155
Temperature: 0.900000
Total energy: -287.241257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.241257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.241257 (E_RNA)
where:
Base-Base interactions energy: -192.730
where: short stacking energy: -77.983
Base-Backbone interact. energy: -0.436
local terms energy: -94.075012
where:
bonds (distance) C4'-P energy: -17.339
bonds (distance) P-C4' energy: -18.282
flat angles C4'-P-C4' energy: -19.936
flat angles P-C4'-P energy: -12.980
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: 2, replica: 10
=====================================
Write number: 155
Temperature: 0.950000
Total energy: -282.463893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.463893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.463893 (E_RNA)
where:
Base-Base interactions energy: -192.311
where: short stacking energy: -75.501
Base-Backbone interact. energy: -0.059
local terms energy: -90.093825
where:
bonds (distance) C4'-P energy: -17.124
bonds (distance) P-C4' energy: -18.992
flat angles C4'-P-C4' energy: -16.466
flat angles P-C4'-P energy: -11.086
tors. eta vs tors. theta energy: -26.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 155
Temperature: 1.000000
Total energy: -275.998268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.998268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.998268 (E_RNA)
where:
Base-Base interactions energy: -191.439
where: short stacking energy: -75.504
Base-Backbone interact. energy: -0.660
local terms energy: -83.900036
where:
bonds (distance) C4'-P energy: -20.598
bonds (distance) P-C4' energy: -12.653
flat angles C4'-P-C4' energy: -18.985
flat angles P-C4'-P energy: -11.336
tors. eta vs tors. theta energy: -20.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 155
Temperature: 1.050000
Total energy: -271.823018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.823018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.823018 (E_RNA)
where:
Base-Base interactions energy: -194.979
where: short stacking energy: -77.797
Base-Backbone interact. energy: 0.574
local terms energy: -77.417989
where:
bonds (distance) C4'-P energy: -16.399
bonds (distance) P-C4' energy: -18.714
flat angles C4'-P-C4' energy: -15.141
flat angles P-C4'-P energy: -5.779
tors. eta vs tors. theta energy: -21.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 155
Temperature: 1.100000
Total energy: -268.866029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.866029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.866029 (E_RNA)
where:
Base-Base interactions energy: -180.518
where: short stacking energy: -73.841
Base-Backbone interact. energy: -0.041
local terms energy: -88.306185
where:
bonds (distance) C4'-P energy: -10.907
bonds (distance) P-C4' energy: -18.460
flat angles C4'-P-C4' energy: -17.745
flat angles P-C4'-P energy: -14.601
tors. eta vs tors. theta energy: -26.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 155
Temperature: 1.150000
Total energy: -267.883825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.883825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.883825 (E_RNA)
where:
Base-Base interactions energy: -187.446
where: short stacking energy: -73.467
Base-Backbone interact. energy: -0.399
local terms energy: -80.038891
where:
bonds (distance) C4'-P energy: -18.751
bonds (distance) P-C4' energy: -15.153
flat angles C4'-P-C4' energy: -13.616
flat angles P-C4'-P energy: -10.763
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: 7, replica: 5
=====================================
Write number: 155
Temperature: 1.200000
Total energy: -256.452151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.452151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.452151 (E_RNA)
where:
Base-Base interactions energy: -182.664
where: short stacking energy: -69.717
Base-Backbone interact. energy: -0.175
local terms energy: -73.612747
where:
bonds (distance) C4'-P energy: -18.996
bonds (distance) P-C4' energy: -15.808
flat angles C4'-P-C4' energy: -15.956
flat angles P-C4'-P energy: -9.461
tors. eta vs tors. theta energy: -13.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 155
Temperature: 1.250000
Total energy: -134.505578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -134.505578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -134.505578 (E_RNA)
where:
Base-Base interactions energy: -74.109
where: short stacking energy: -46.564
Base-Backbone interact. energy: -0.399
local terms energy: -59.997888
where:
bonds (distance) C4'-P energy: -11.248
bonds (distance) P-C4' energy: -16.293
flat angles C4'-P-C4' energy: -18.549
flat angles P-C4'-P energy: -7.581
tors. eta vs tors. theta energy: -6.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 155
Temperature: 1.300000
Total energy: -86.518051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.518051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.518051 (E_RNA)
where:
Base-Base interactions energy: -32.764
where: short stacking energy: -26.917
Base-Backbone interact. energy: -0.065
local terms energy: -53.688684
where:
bonds (distance) C4'-P energy: -13.816
bonds (distance) P-C4' energy: -16.795
flat angles C4'-P-C4' energy: -15.329
flat angles P-C4'-P energy: -4.608
tors. eta vs tors. theta energy: -3.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 155
Temperature: 1.350000
Total energy: -91.710643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.710643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.710643 (E_RNA)
where:
Base-Base interactions energy: -33.802
where: short stacking energy: -32.971
Base-Backbone interact. energy: -0.091
local terms energy: -57.818268
where:
bonds (distance) C4'-P energy: -16.929
bonds (distance) P-C4' energy: -14.237
flat angles C4'-P-C4' energy: -14.552
flat angles P-C4'-P energy: -5.017
tors. eta vs tors. theta energy: -7.084
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: 6
=====================================
Write number: 156
Temperature: 0.900000
Total energy: -292.931895 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.931895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.931895 (E_RNA)
where:
Base-Base interactions energy: -193.671
where: short stacking energy: -81.195
Base-Backbone interact. energy: -0.001
local terms energy: -99.260208
where:
bonds (distance) C4'-P energy: -18.059
bonds (distance) P-C4' energy: -19.903
flat angles C4'-P-C4' energy: -20.021
flat angles P-C4'-P energy: -15.155
tors. eta vs tors. theta energy: -26.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 156
Temperature: 0.950000
Total energy: -284.843637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.843637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.843637 (E_RNA)
where:
Base-Base interactions energy: -201.210
where: short stacking energy: -81.395
Base-Backbone interact. energy: -0.648
local terms energy: -82.984919
where:
bonds (distance) C4'-P energy: -13.837
bonds (distance) P-C4' energy: -17.098
flat angles C4'-P-C4' energy: -19.804
flat angles P-C4'-P energy: -10.044
tors. eta vs tors. theta energy: -22.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 156
Temperature: 1.000000
Total energy: -278.214262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.214262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.214262 (E_RNA)
where:
Base-Base interactions energy: -192.512
where: short stacking energy: -76.582
Base-Backbone interact. energy: -0.372
local terms energy: -85.329476
where:
bonds (distance) C4'-P energy: -14.736
bonds (distance) P-C4' energy: -20.616
flat angles C4'-P-C4' energy: -16.797
flat angles P-C4'-P energy: -13.656
tors. eta vs tors. theta energy: -19.525
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: 4, replica: 3
=====================================
Write number: 156
Temperature: 1.050000
Total energy: -268.358289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.358289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.358289 (E_RNA)
where:
Base-Base interactions energy: -182.715
where: short stacking energy: -69.146
Base-Backbone interact. energy: -1.224
local terms energy: -84.418709
where:
bonds (distance) C4'-P energy: -15.600
bonds (distance) P-C4' energy: -16.437
flat angles C4'-P-C4' energy: -16.746
flat angles P-C4'-P energy: -14.732
tors. eta vs tors. theta energy: -20.903
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: 156
Temperature: 1.100000
Total energy: -267.077386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.077386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.077386 (E_RNA)
where:
Base-Base interactions energy: -178.333
where: short stacking energy: -70.300
Base-Backbone interact. energy: -0.050
local terms energy: -88.694567
where:
bonds (distance) C4'-P energy: -18.151
bonds (distance) P-C4' energy: -19.513
flat angles C4'-P-C4' energy: -18.555
flat angles P-C4'-P energy: -12.045
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: 6, replica: 4
=====================================
Write number: 156
Temperature: 1.150000
Total energy: -265.943598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.943598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.943598 (E_RNA)
where:
Base-Base interactions energy: -179.510
where: short stacking energy: -76.324
Base-Backbone interact. energy: -0.477
local terms energy: -85.957015
where:
bonds (distance) C4'-P energy: -14.206
bonds (distance) P-C4' energy: -17.840
flat angles C4'-P-C4' energy: -19.082
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -24.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 156
Temperature: 1.200000
Total energy: -221.898937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.898937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.898937 (E_RNA)
where:
Base-Base interactions energy: -157.063
where: short stacking energy: -61.957
Base-Backbone interact. energy: 0.033
local terms energy: -64.868154
where:
bonds (distance) C4'-P energy: -10.881
bonds (distance) P-C4' energy: -11.574
flat angles C4'-P-C4' energy: -12.436
flat angles P-C4'-P energy: -11.720
tors. eta vs tors. theta energy: -18.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 156
Temperature: 1.250000
Total energy: -141.411296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.411296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.411296 (E_RNA)
where:
Base-Base interactions energy: -81.830
where: short stacking energy: -47.204
Base-Backbone interact. energy: -2.530
local terms energy: -57.051010
where:
bonds (distance) C4'-P energy: -14.204
bonds (distance) P-C4' energy: -13.355
flat angles C4'-P-C4' energy: -14.691
flat angles P-C4'-P energy: -12.565
tors. eta vs tors. theta energy: -2.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 156
Temperature: 1.300000
Total energy: -84.683254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.683254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.683254 (E_RNA)
where:
Base-Base interactions energy: -23.085
where: short stacking energy: -21.873
Base-Backbone interact. energy: 0.308
local terms energy: -61.906069
where:
bonds (distance) C4'-P energy: -12.110
bonds (distance) P-C4' energy: -18.121
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -11.151
tors. eta vs tors. theta energy: -5.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 156
Temperature: 1.350000
Total energy: -83.191438 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.191438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.191438 (E_RNA)
where:
Base-Base interactions energy: -30.182
where: short stacking energy: -27.341
Base-Backbone interact. energy: -0.031
local terms energy: -52.978581
where:
bonds (distance) C4'-P energy: -11.262
bonds (distance) P-C4' energy: -16.489
flat angles C4'-P-C4' energy: -14.605
flat angles P-C4'-P energy: -7.641
tors. eta vs tors. theta energy: -2.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 157
Temperature: 0.900000
Total energy: -294.036695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.036695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.036695 (E_RNA)
where:
Base-Base interactions energy: -196.808
where: short stacking energy: -83.310
Base-Backbone interact. energy: -0.536
local terms energy: -96.692334
where:
bonds (distance) C4'-P energy: -18.921
bonds (distance) P-C4' energy: -17.676
flat angles C4'-P-C4' energy: -18.533
flat angles P-C4'-P energy: -15.497
tors. eta vs tors. theta energy: -26.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 157
Temperature: 0.950000
Total energy: -283.572580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.572580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.572580 (E_RNA)
where:
Base-Base interactions energy: -200.596
where: short stacking energy: -73.470
Base-Backbone interact. energy: -0.539
local terms energy: -82.437062
where:
bonds (distance) C4'-P energy: -16.361
bonds (distance) P-C4' energy: -17.188
flat angles C4'-P-C4' energy: -18.858
flat angles P-C4'-P energy: -10.123
tors. eta vs tors. theta energy: -19.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 157
Temperature: 1.000000
Total energy: -275.105501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.105501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.105501 (E_RNA)
where:
Base-Base interactions energy: -189.683
where: short stacking energy: -73.373
Base-Backbone interact. energy: -1.191
local terms energy: -84.231433
where:
bonds (distance) C4'-P energy: -18.594
bonds (distance) P-C4' energy: -16.776
flat angles C4'-P-C4' energy: -17.309
flat angles P-C4'-P energy: -12.167
tors. eta vs tors. theta energy: -19.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 157
Temperature: 1.050000
Total energy: -265.636656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.636656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.636656 (E_RNA)
where:
Base-Base interactions energy: -187.561
where: short stacking energy: -77.690
Base-Backbone interact. energy: -0.118
local terms energy: -77.958320
where:
bonds (distance) C4'-P energy: -12.962
bonds (distance) P-C4' energy: -12.475
flat angles C4'-P-C4' energy: -18.976
flat angles P-C4'-P energy: -13.731
tors. eta vs tors. theta energy: -19.815
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: 3
=====================================
Write number: 157
Temperature: 1.100000
Total energy: -279.365048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.365048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.365048 (E_RNA)
where:
Base-Base interactions energy: -190.766
where: short stacking energy: -73.298
Base-Backbone interact. energy: -1.012
local terms energy: -87.586886
where:
bonds (distance) C4'-P energy: -18.999
bonds (distance) P-C4' energy: -12.095
flat angles C4'-P-C4' energy: -18.729
flat angles P-C4'-P energy: -15.317
tors. eta vs tors. theta energy: -22.447
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: 4
=====================================
Write number: 157
Temperature: 1.150000
Total energy: -245.823177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.823177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.823177 (E_RNA)
where:
Base-Base interactions energy: -168.632
where: short stacking energy: -62.166
Base-Backbone interact. energy: 1.162
local terms energy: -78.352640
where:
bonds (distance) C4'-P energy: -16.398
bonds (distance) P-C4' energy: -16.903
flat angles C4'-P-C4' energy: -20.119
flat angles P-C4'-P energy: -9.462
tors. eta vs tors. theta energy: -15.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 157
Temperature: 1.200000
Total energy: -201.318525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.318525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.318525 (E_RNA)
where:
Base-Base interactions energy: -134.126
where: short stacking energy: -57.488
Base-Backbone interact. energy: 0.076
local terms energy: -67.267739
where:
bonds (distance) C4'-P energy: -11.419
bonds (distance) P-C4' energy: -19.270
flat angles C4'-P-C4' energy: -17.638
flat angles P-C4'-P energy: -9.510
tors. eta vs tors. theta energy: -9.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 157
Temperature: 1.250000
Total energy: -96.782639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.782639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.782639 (E_RNA)
where:
Base-Base interactions energy: -43.913
where: short stacking energy: -29.152
Base-Backbone interact. energy: -0.303
local terms energy: -52.566097
where:
bonds (distance) C4'-P energy: -16.859
bonds (distance) P-C4' energy: -12.153
flat angles C4'-P-C4' energy: -15.282
flat angles P-C4'-P energy: -9.179
tors. eta vs tors. theta energy: 0.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 157
Temperature: 1.300000
Total energy: -95.440437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.440437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.440437 (E_RNA)
where:
Base-Base interactions energy: -34.301
where: short stacking energy: -28.279
Base-Backbone interact. energy: -0.485
local terms energy: -60.654406
where:
bonds (distance) C4'-P energy: -13.823
bonds (distance) P-C4' energy: -18.911
flat angles C4'-P-C4' energy: -14.629
flat angles P-C4'-P energy: -6.453
tors. eta vs tors. theta energy: -6.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 157
Temperature: 1.350000
Total energy: -83.170980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.170980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.170980 (E_RNA)
where:
Base-Base interactions energy: -29.678
where: short stacking energy: -21.846
Base-Backbone interact. energy: -0.163
local terms energy: -53.330214
where:
bonds (distance) C4'-P energy: -17.177
bonds (distance) P-C4' energy: -9.006
flat angles C4'-P-C4' energy: -12.107
flat angles P-C4'-P energy: -10.185
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: 1, replica: 7
=====================================
Write number: 158
Temperature: 0.900000
Total energy: -290.357663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.357663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.357663 (E_RNA)
where:
Base-Base interactions energy: -201.897
where: short stacking energy: -79.107
Base-Backbone interact. energy: -0.042
local terms energy: -88.418586
where:
bonds (distance) C4'-P energy: -13.146
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -20.741
flat angles P-C4'-P energy: -14.136
tors. eta vs tors. theta energy: -22.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 158
Temperature: 0.950000
Total energy: -284.246513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.246513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.246513 (E_RNA)
where:
Base-Base interactions energy: -194.830
where: short stacking energy: -83.302
Base-Backbone interact. energy: 0.214
local terms energy: -89.631010
where:
bonds (distance) C4'-P energy: -16.156
bonds (distance) P-C4' energy: -14.561
flat angles C4'-P-C4' energy: -19.785
flat angles P-C4'-P energy: -11.453
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: 3, replica: 10
=====================================
Write number: 158
Temperature: 1.000000
Total energy: -279.013098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.013098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.013098 (E_RNA)
where:
Base-Base interactions energy: -197.221
where: short stacking energy: -78.890
Base-Backbone interact. energy: -0.029
local terms energy: -81.763377
where:
bonds (distance) C4'-P energy: -9.899
bonds (distance) P-C4' energy: -14.988
flat angles C4'-P-C4' energy: -19.411
flat angles P-C4'-P energy: -16.211
tors. eta vs tors. theta energy: -21.254
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: 2
=====================================
Write number: 158
Temperature: 1.050000
Total energy: -275.362664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.362664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.362664 (E_RNA)
where:
Base-Base interactions energy: -198.745
where: short stacking energy: -73.583
Base-Backbone interact. energy: -0.715
local terms energy: -75.902848
where:
bonds (distance) C4'-P energy: -11.709
bonds (distance) P-C4' energy: -13.442
flat angles C4'-P-C4' energy: -17.669
flat angles P-C4'-P energy: -10.520
tors. eta vs tors. theta energy: -22.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 158
Temperature: 1.100000
Total energy: -261.226670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.226670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.226670 (E_RNA)
where:
Base-Base interactions energy: -174.523
where: short stacking energy: -78.578
Base-Backbone interact. energy: -0.264
local terms energy: -86.438859
where:
bonds (distance) C4'-P energy: -12.513
bonds (distance) P-C4' energy: -18.526
flat angles C4'-P-C4' energy: -18.340
flat angles P-C4'-P energy: -12.290
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: 4
=====================================
Write number: 158
Temperature: 1.150000
Total energy: -261.130282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.130282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.130282 (E_RNA)
where:
Base-Base interactions energy: -177.871
where: short stacking energy: -70.951
Base-Backbone interact. energy: -0.857
local terms energy: -82.401673
where:
bonds (distance) C4'-P energy: -17.558
bonds (distance) P-C4' energy: -15.220
flat angles C4'-P-C4' energy: -15.713
flat angles P-C4'-P energy: -12.543
tors. eta vs tors. theta energy: -21.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 158
Temperature: 1.200000
Total energy: -207.588099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.588099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.588099 (E_RNA)
where:
Base-Base interactions energy: -133.881
where: short stacking energy: -54.149
Base-Backbone interact. energy: 0.368
local terms energy: -74.074501
where:
bonds (distance) C4'-P energy: -7.475
bonds (distance) P-C4' energy: -19.404
flat angles C4'-P-C4' energy: -16.082
flat angles P-C4'-P energy: -11.773
tors. eta vs tors. theta energy: -19.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 158
Temperature: 1.250000
Total energy: -85.437793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.437793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.437793 (E_RNA)
where:
Base-Base interactions energy: -45.965
where: short stacking energy: -35.995
Base-Backbone interact. energy: 0.331
local terms energy: -39.803703
where:
bonds (distance) C4'-P energy: -10.991
bonds (distance) P-C4' energy: -12.188
flat angles C4'-P-C4' energy: -12.878
flat angles P-C4'-P energy: -5.026
tors. eta vs tors. theta energy: 1.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 158
Temperature: 1.300000
Total energy: -86.790888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.790888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.790888 (E_RNA)
where:
Base-Base interactions energy: -29.130
where: short stacking energy: -26.293
Base-Backbone interact. energy: -0.831
local terms energy: -56.829539
where:
bonds (distance) C4'-P energy: -16.245
bonds (distance) P-C4' energy: -13.760
flat angles C4'-P-C4' energy: -15.795
flat angles P-C4'-P energy: -8.987
tors. eta vs tors. theta energy: -2.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 158
Temperature: 1.350000
Total energy: -90.255398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.255398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.255398 (E_RNA)
where:
Base-Base interactions energy: -36.600
where: short stacking energy: -32.775
Base-Backbone interact. energy: -0.129
local terms energy: -53.526005
where:
bonds (distance) C4'-P energy: -12.279
bonds (distance) P-C4' energy: -16.403
flat angles C4'-P-C4' energy: -10.176
flat angles P-C4'-P energy: -12.521
tors. eta vs tors. theta energy: -2.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 159
Temperature: 0.900000
Total energy: -281.395050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.395050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.395050 (E_RNA)
where:
Base-Base interactions energy: -191.663
where: short stacking energy: -71.822
Base-Backbone interact. energy: -0.126
local terms energy: -89.605471
where:
bonds (distance) C4'-P energy: -17.419
bonds (distance) P-C4' energy: -15.434
flat angles C4'-P-C4' energy: -18.718
flat angles P-C4'-P energy: -16.312
tors. eta vs tors. theta energy: -21.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 159
Temperature: 0.950000
Total energy: -276.688104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.688104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.688104 (E_RNA)
where:
Base-Base interactions energy: -188.633
where: short stacking energy: -77.257
Base-Backbone interact. energy: -0.293
local terms energy: -87.762071
where:
bonds (distance) C4'-P energy: -17.541
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -18.305
flat angles P-C4'-P energy: -14.052
tors. eta vs tors. theta energy: -21.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 159
Temperature: 1.000000
Total energy: -281.005615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.005615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.005615 (E_RNA)
where:
Base-Base interactions energy: -191.076
where: short stacking energy: -83.086
Base-Backbone interact. energy: -0.149
local terms energy: -89.780858
where:
bonds (distance) C4'-P energy: -15.903
bonds (distance) P-C4' energy: -17.737
flat angles C4'-P-C4' energy: -18.312
flat angles P-C4'-P energy: -12.398
tors. eta vs tors. theta energy: -25.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 159
Temperature: 1.050000
Total energy: -274.161450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.161450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.161450 (E_RNA)
where:
Base-Base interactions energy: -184.837
where: short stacking energy: -78.372
Base-Backbone interact. energy: -0.698
local terms energy: -88.625943
where:
bonds (distance) C4'-P energy: -13.823
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -17.939
flat angles P-C4'-P energy: -14.530
tors. eta vs tors. theta energy: -23.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 159
Temperature: 1.100000
Total energy: -271.591567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.591567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.591567 (E_RNA)
where:
Base-Base interactions energy: -181.441
where: short stacking energy: -79.456
Base-Backbone interact. energy: -0.146
local terms energy: -90.005157
where:
bonds (distance) C4'-P energy: -15.854
bonds (distance) P-C4' energy: -16.588
flat angles C4'-P-C4' energy: -18.638
flat angles P-C4'-P energy: -13.657
tors. eta vs tors. theta energy: -25.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 159
Temperature: 1.150000
Total energy: -265.781665 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.781665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.781665 (E_RNA)
where:
Base-Base interactions energy: -178.423
where: short stacking energy: -78.355
Base-Backbone interact. energy: -0.007
local terms energy: -87.350774
where:
bonds (distance) C4'-P energy: -15.389
bonds (distance) P-C4' energy: -13.291
flat angles C4'-P-C4' energy: -20.606
flat angles P-C4'-P energy: -12.531
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: 7, replica: 4
=====================================
Write number: 159
Temperature: 1.200000
Total energy: -248.582427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.582427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.582427 (E_RNA)
where:
Base-Base interactions energy: -165.472
where: short stacking energy: -64.353
Base-Backbone interact. energy: 1.207
local terms energy: -84.317810
where:
bonds (distance) C4'-P energy: -15.990
bonds (distance) P-C4' energy: -17.530
flat angles C4'-P-C4' energy: -15.449
flat angles P-C4'-P energy: -13.615
tors. eta vs tors. theta energy: -21.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 159
Temperature: 1.250000
Total energy: -95.975521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.975521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.975521 (E_RNA)
where:
Base-Base interactions energy: -34.411
where: short stacking energy: -24.834
Base-Backbone interact. energy: 1.347
local terms energy: -62.910635
where:
bonds (distance) C4'-P energy: -16.717
bonds (distance) P-C4' energy: -18.725
flat angles C4'-P-C4' energy: -14.691
flat angles P-C4'-P energy: -11.784
tors. eta vs tors. theta energy: -0.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 159
Temperature: 1.300000
Total energy: -101.658806 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.658806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.658806 (E_RNA)
where:
Base-Base interactions energy: -41.960
where: short stacking energy: -27.853
Base-Backbone interact. energy: 0.135
local terms energy: -59.834010
where:
bonds (distance) C4'-P energy: -14.452
bonds (distance) P-C4' energy: -17.861
flat angles C4'-P-C4' energy: -18.163
flat angles P-C4'-P energy: -8.472
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: 10, replica: 9
=====================================
Write number: 159
Temperature: 1.350000
Total energy: -89.471366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.471366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.471366 (E_RNA)
where:
Base-Base interactions energy: -29.606
where: short stacking energy: -26.804
Base-Backbone interact. energy: -0.152
local terms energy: -59.713858
where:
bonds (distance) C4'-P energy: -12.446
bonds (distance) P-C4' energy: -17.782
flat angles C4'-P-C4' energy: -15.825
flat angles P-C4'-P energy: -7.065
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: 1, replica: 7
=====================================
Write number: 160
Temperature: 0.900000
Total energy: -288.406112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.406112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.406112 (E_RNA)
where:
Base-Base interactions energy: -190.673
where: short stacking energy: -74.000
Base-Backbone interact. energy: -0.622
local terms energy: -97.111064
where:
bonds (distance) C4'-P energy: -18.556
bonds (distance) P-C4' energy: -18.918
flat angles C4'-P-C4' energy: -20.035
flat angles P-C4'-P energy: -15.311
tors. eta vs tors. theta energy: -24.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 160
Temperature: 0.950000
Total energy: -280.369271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.369271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.369271 (E_RNA)
where:
Base-Base interactions energy: -194.014
where: short stacking energy: -76.485
Base-Backbone interact. energy: 0.148
local terms energy: -86.502842
where:
bonds (distance) C4'-P energy: -18.710
bonds (distance) P-C4' energy: -14.083
flat angles C4'-P-C4' energy: -16.654
flat angles P-C4'-P energy: -14.658
tors. eta vs tors. theta energy: -22.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 160
Temperature: 1.000000
Total energy: -290.008083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.008083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.008083 (E_RNA)
where:
Base-Base interactions energy: -196.569
where: short stacking energy: -80.559
Base-Backbone interact. energy: -0.621
local terms energy: -92.817856
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -19.427
flat angles C4'-P-C4' energy: -20.493
flat angles P-C4'-P energy: -13.671
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: 4, replica: 2
=====================================
Write number: 160
Temperature: 1.050000
Total energy: -266.692920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.692920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.692920 (E_RNA)
where:
Base-Base interactions energy: -182.797
where: short stacking energy: -73.070
Base-Backbone interact. energy: -1.542
local terms energy: -82.354377
where:
bonds (distance) C4'-P energy: -10.429
bonds (distance) P-C4' energy: -18.931
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -11.555
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: 5, replica: 5
=====================================
Write number: 160
Temperature: 1.100000
Total energy: -268.675519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.675519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.675519 (E_RNA)
where:
Base-Base interactions energy: -181.462
where: short stacking energy: -68.166
Base-Backbone interact. energy: -1.962
local terms energy: -85.251084
where:
bonds (distance) C4'-P energy: -16.035
bonds (distance) P-C4' energy: -19.079
flat angles C4'-P-C4' energy: -14.776
flat angles P-C4'-P energy: -12.474
tors. eta vs tors. theta energy: -22.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 160
Temperature: 1.150000
Total energy: -269.953004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.953004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.953004 (E_RNA)
where:
Base-Base interactions energy: -184.196
where: short stacking energy: -75.161
Base-Backbone interact. energy: -0.700
local terms energy: -85.057018
where:
bonds (distance) C4'-P energy: -16.150
bonds (distance) P-C4' energy: -20.197
flat angles C4'-P-C4' energy: -13.500
flat angles P-C4'-P energy: -11.402
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: 7, replica: 4
=====================================
Write number: 160
Temperature: 1.200000
Total energy: -250.409558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.409558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.409558 (E_RNA)
where:
Base-Base interactions energy: -173.927
where: short stacking energy: -64.524
Base-Backbone interact. energy: -0.513
local terms energy: -75.969723
where:
bonds (distance) C4'-P energy: -17.489
bonds (distance) P-C4' energy: -13.446
flat angles C4'-P-C4' energy: -10.015
flat angles P-C4'-P energy: -13.344
tors. eta vs tors. theta energy: -21.675
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: 160
Temperature: 1.250000
Total energy: -105.222162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.222162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.222162 (E_RNA)
where:
Base-Base interactions energy: -40.712
where: short stacking energy: -32.613
Base-Backbone interact. energy: -0.629
local terms energy: -63.881623
where:
bonds (distance) C4'-P energy: -15.066
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -9.935
flat angles P-C4'-P energy: -10.078
tors. eta vs tors. theta energy: -10.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 160
Temperature: 1.300000
Total energy: -94.168824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.168824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.168824 (E_RNA)
where:
Base-Base interactions energy: -43.754
where: short stacking energy: -30.325
Base-Backbone interact. energy: -0.598
local terms energy: -49.816780
where:
bonds (distance) C4'-P energy: -12.979
bonds (distance) P-C4' energy: -18.541
flat angles C4'-P-C4' energy: -14.168
flat angles P-C4'-P energy: -3.302
tors. eta vs tors. theta energy: -0.827
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: 10, replica: 1
=====================================
Write number: 160
Temperature: 1.350000
Total energy: -81.073977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.073977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.073977 (E_RNA)
where:
Base-Base interactions energy: -24.222
where: short stacking energy: -24.091
Base-Backbone interact. energy: -0.517
local terms energy: -56.334342
where:
bonds (distance) C4'-P energy: -13.456
bonds (distance) P-C4' energy: -16.368
flat angles C4'-P-C4' energy: -12.591
flat angles P-C4'-P energy: -9.098
tors. eta vs tors. theta energy: -4.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 161
Temperature: 0.900000
Total energy: -287.431294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.431294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.431294 (E_RNA)
where:
Base-Base interactions energy: -195.419
where: short stacking energy: -82.492
Base-Backbone interact. energy: -0.753
local terms energy: -91.259567
where:
bonds (distance) C4'-P energy: -16.706
bonds (distance) P-C4' energy: -20.373
flat angles C4'-P-C4' energy: -20.238
flat angles P-C4'-P energy: -10.381
tors. eta vs tors. theta energy: -23.562
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: 2, replica: 6
=====================================
Write number: 161
Temperature: 0.950000
Total energy: -280.721393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.721393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.721393 (E_RNA)
where:
Base-Base interactions energy: -193.144
where: short stacking energy: -79.062
Base-Backbone interact. energy: -0.001
local terms energy: -87.576601
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -15.680
flat angles C4'-P-C4' energy: -16.934
flat angles P-C4'-P energy: -16.177
tors. eta vs tors. theta energy: -24.989
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: 3, replica: 10
=====================================
Write number: 161
Temperature: 1.000000
Total energy: -280.478266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.478266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.478266 (E_RNA)
where:
Base-Base interactions energy: -197.072
where: short stacking energy: -86.072
Base-Backbone interact. energy: -0.521
local terms energy: -82.885444
where:
bonds (distance) C4'-P energy: -14.653
bonds (distance) P-C4' energy: -16.603
flat angles C4'-P-C4' energy: -16.567
flat angles P-C4'-P energy: -11.152
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: 4, replica: 2
=====================================
Write number: 161
Temperature: 1.050000
Total energy: -263.451654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.451654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.451654 (E_RNA)
where:
Base-Base interactions energy: -188.879
where: short stacking energy: -79.226
Base-Backbone interact. energy: -1.441
local terms energy: -73.131652
where:
bonds (distance) C4'-P energy: -9.886
bonds (distance) P-C4' energy: -14.061
flat angles C4'-P-C4' energy: -14.686
flat angles P-C4'-P energy: -12.736
tors. eta vs tors. theta energy: -21.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 161
Temperature: 1.100000
Total energy: -267.744775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.744775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.744775 (E_RNA)
where:
Base-Base interactions energy: -183.215
where: short stacking energy: -69.439
Base-Backbone interact. energy: -0.705
local terms energy: -83.824875
where:
bonds (distance) C4'-P energy: -13.940
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -19.085
flat angles P-C4'-P energy: -9.971
tors. eta vs tors. theta energy: -25.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 161
Temperature: 1.150000
Total energy: -249.464737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.464737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.464737 (E_RNA)
where:
Base-Base interactions energy: -170.354
where: short stacking energy: -68.327
Base-Backbone interact. energy: 1.441
local terms energy: -80.551332
where:
bonds (distance) C4'-P energy: -16.706
bonds (distance) P-C4' energy: -12.592
flat angles C4'-P-C4' energy: -17.412
flat angles P-C4'-P energy: -13.789
tors. eta vs tors. theta energy: -20.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 161
Temperature: 1.200000
Total energy: -263.500052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.500052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.500052 (E_RNA)
where:
Base-Base interactions energy: -182.551
where: short stacking energy: -66.472
Base-Backbone interact. energy: -0.740
local terms energy: -80.208439
where:
bonds (distance) C4'-P energy: -14.905
bonds (distance) P-C4' energy: -15.598
flat angles C4'-P-C4' energy: -16.973
flat angles P-C4'-P energy: -8.153
tors. eta vs tors. theta energy: -24.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 161
Temperature: 1.250000
Total energy: -99.623314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.623314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.623314 (E_RNA)
where:
Base-Base interactions energy: -45.661
where: short stacking energy: -35.565
Base-Backbone interact. energy: -0.170
local terms energy: -53.792528
where:
bonds (distance) C4'-P energy: -9.588
bonds (distance) P-C4' energy: -20.352
flat angles C4'-P-C4' energy: -15.958
flat angles P-C4'-P energy: -3.979
tors. eta vs tors. theta energy: -3.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 161
Temperature: 1.300000
Total energy: -100.062390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.062390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.062390 (E_RNA)
where:
Base-Base interactions energy: -39.850
where: short stacking energy: -28.695
Base-Backbone interact. energy: 0.451
local terms energy: -60.663529
where:
bonds (distance) C4'-P energy: -16.154
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -16.653
flat angles P-C4'-P energy: -7.608
tors. eta vs tors. theta energy: -2.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 161
Temperature: 1.350000
Total energy: -87.963318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.963318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.963318 (E_RNA)
where:
Base-Base interactions energy: -24.869
where: short stacking energy: -17.148
Base-Backbone interact. energy: -0.643
local terms energy: -62.452010
where:
bonds (distance) C4'-P energy: -18.630
bonds (distance) P-C4' energy: -15.018
flat angles C4'-P-C4' energy: -18.901
flat angles P-C4'-P energy: -10.185
tors. eta vs tors. theta energy: 0.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 162
Temperature: 0.900000
Total energy: -288.215216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.215216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.215216 (E_RNA)
where:
Base-Base interactions energy: -196.283
where: short stacking energy: -83.273
Base-Backbone interact. energy: -0.394
local terms energy: -91.538364
where:
bonds (distance) C4'-P energy: -11.676
bonds (distance) P-C4' energy: -21.507
flat angles C4'-P-C4' energy: -18.330
flat angles P-C4'-P energy: -15.101
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: 2, replica: 7
=====================================
Write number: 162
Temperature: 0.950000
Total energy: -282.087327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.087327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.087327 (E_RNA)
where:
Base-Base interactions energy: -192.154
where: short stacking energy: -76.206
Base-Backbone interact. energy: -0.962
local terms energy: -88.970660
where:
bonds (distance) C4'-P energy: -17.666
bonds (distance) P-C4' energy: -16.831
flat angles C4'-P-C4' energy: -20.010
flat angles P-C4'-P energy: -12.608
tors. eta vs tors. theta energy: -21.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 162
Temperature: 1.000000
Total energy: -280.289364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.289364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.289364 (E_RNA)
where:
Base-Base interactions energy: -200.369
where: short stacking energy: -79.923
Base-Backbone interact. energy: -0.921
local terms energy: -78.999102
where:
bonds (distance) C4'-P energy: -14.205
bonds (distance) P-C4' energy: -16.991
flat angles C4'-P-C4' energy: -17.103
flat angles P-C4'-P energy: -9.956
tors. eta vs tors. theta energy: -20.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 162
Temperature: 1.050000
Total energy: -250.241848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.241848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.241848 (E_RNA)
where:
Base-Base interactions energy: -175.113
where: short stacking energy: -60.455
Base-Backbone interact. energy: -0.279
local terms energy: -74.850334
where:
bonds (distance) C4'-P energy: -14.284
bonds (distance) P-C4' energy: -19.179
flat angles C4'-P-C4' energy: -17.584
flat angles P-C4'-P energy: -12.201
tors. eta vs tors. theta energy: -11.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 162
Temperature: 1.100000
Total energy: -265.512367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.512367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.512367 (E_RNA)
where:
Base-Base interactions energy: -182.459
where: short stacking energy: -80.684
Base-Backbone interact. energy: -0.547
local terms energy: -82.505476
where:
bonds (distance) C4'-P energy: -17.803
bonds (distance) P-C4' energy: -9.259
flat angles C4'-P-C4' energy: -18.438
flat angles P-C4'-P energy: -15.458
tors. eta vs tors. theta energy: -21.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 162
Temperature: 1.150000
Total energy: -251.481028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.481028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.481028 (E_RNA)
where:
Base-Base interactions energy: -171.539
where: short stacking energy: -82.727
Base-Backbone interact. energy: -0.340
local terms energy: -79.601866
where:
bonds (distance) C4'-P energy: -12.200
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -16.436
flat angles P-C4'-P energy: -9.818
tors. eta vs tors. theta energy: -25.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 162
Temperature: 1.200000
Total energy: -261.475340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.475340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.475340 (E_RNA)
where:
Base-Base interactions energy: -181.366
where: short stacking energy: -73.062
Base-Backbone interact. energy: -0.047
local terms energy: -80.062740
where:
bonds (distance) C4'-P energy: -15.281
bonds (distance) P-C4' energy: -11.543
flat angles C4'-P-C4' energy: -19.455
flat angles P-C4'-P energy: -11.827
tors. eta vs tors. theta energy: -21.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 162
Temperature: 1.250000
Total energy: -89.293935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.293935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.293935 (E_RNA)
where:
Base-Base interactions energy: -34.967
where: short stacking energy: -34.967
Base-Backbone interact. energy: -0.950
local terms energy: -53.376744
where:
bonds (distance) C4'-P energy: -9.568
bonds (distance) P-C4' energy: -16.472
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -6.611
tors. eta vs tors. theta energy: -6.223
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: 162
Temperature: 1.300000
Total energy: -87.920774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.920774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.920774 (E_RNA)
where:
Base-Base interactions energy: -39.128
where: short stacking energy: -29.265
Base-Backbone interact. energy: -0.258
local terms energy: -48.535027
where:
bonds (distance) C4'-P energy: -12.909
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -8.842
flat angles P-C4'-P energy: -10.368
tors. eta vs tors. theta energy: 0.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 162
Temperature: 1.350000
Total energy: -91.986605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.986605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.986605 (E_RNA)
where:
Base-Base interactions energy: -39.660
where: short stacking energy: -20.131
Base-Backbone interact. energy: -0.308
local terms energy: -52.018998
where:
bonds (distance) C4'-P energy: -12.267
bonds (distance) P-C4' energy: -12.400
flat angles C4'-P-C4' energy: -15.848
flat angles P-C4'-P energy: -13.751
tors. eta vs tors. theta energy: 2.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 163
Temperature: 0.900000
Total energy: -288.819479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.819479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.819479 (E_RNA)
where:
Base-Base interactions energy: -198.247
where: short stacking energy: -82.515
Base-Backbone interact. energy: -1.016
local terms energy: -89.556499
where:
bonds (distance) C4'-P energy: -13.389
bonds (distance) P-C4' energy: -21.068
flat angles C4'-P-C4' energy: -18.322
flat angles P-C4'-P energy: -13.156
tors. eta vs tors. theta energy: -23.622
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: 10
=====================================
Write number: 163
Temperature: 0.950000
Total energy: -284.095158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.095158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.095158 (E_RNA)
where:
Base-Base interactions energy: -191.454
where: short stacking energy: -74.409
Base-Backbone interact. energy: -0.446
local terms energy: -92.195248
where:
bonds (distance) C4'-P energy: -18.333
bonds (distance) P-C4' energy: -18.752
flat angles C4'-P-C4' energy: -20.614
flat angles P-C4'-P energy: -12.011
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: 3, replica: 7
=====================================
Write number: 163
Temperature: 1.000000
Total energy: -285.996048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.996048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.996048 (E_RNA)
where:
Base-Base interactions energy: -195.540
where: short stacking energy: -75.524
Base-Backbone interact. energy: -0.588
local terms energy: -89.868605
where:
bonds (distance) C4'-P energy: -17.004
bonds (distance) P-C4' energy: -19.115
flat angles C4'-P-C4' energy: -18.086
flat angles P-C4'-P energy: -13.860
tors. eta vs tors. theta energy: -21.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 163
Temperature: 1.050000
Total energy: -270.446509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.446509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.446509 (E_RNA)
where:
Base-Base interactions energy: -184.843
where: short stacking energy: -69.450
Base-Backbone interact. energy: -0.480
local terms energy: -85.123528
where:
bonds (distance) C4'-P energy: -16.854
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -18.334
flat angles P-C4'-P energy: -14.642
tors. eta vs tors. theta energy: -17.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 163
Temperature: 1.100000
Total energy: -262.227286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.227286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.227286 (E_RNA)
where:
Base-Base interactions energy: -184.061
where: short stacking energy: -77.546
Base-Backbone interact. energy: 0.722
local terms energy: -78.888353
where:
bonds (distance) C4'-P energy: -16.581
bonds (distance) P-C4' energy: -14.981
flat angles C4'-P-C4' energy: -17.594
flat angles P-C4'-P energy: -12.892
tors. eta vs tors. theta energy: -16.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 163
Temperature: 1.150000
Total energy: -262.793595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.793595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.793595 (E_RNA)
where:
Base-Base interactions energy: -186.076
where: short stacking energy: -78.747
Base-Backbone interact. energy: -0.055
local terms energy: -76.662817
where:
bonds (distance) C4'-P energy: -8.937
bonds (distance) P-C4' energy: -19.106
flat angles C4'-P-C4' energy: -14.395
flat angles P-C4'-P energy: -11.476
tors. eta vs tors. theta energy: -22.749
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: 7, replica: 5
=====================================
Write number: 163
Temperature: 1.200000
Total energy: -239.523214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.523214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.523214 (E_RNA)
where:
Base-Base interactions energy: -160.882
where: short stacking energy: -63.945
Base-Backbone interact. energy: -0.146
local terms energy: -78.494828
where:
bonds (distance) C4'-P energy: -13.973
bonds (distance) P-C4' energy: -15.590
flat angles C4'-P-C4' energy: -15.329
flat angles P-C4'-P energy: -13.154
tors. eta vs tors. theta energy: -20.449
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: 8, replica: 1
=====================================
Write number: 163
Temperature: 1.250000
Total energy: -110.780471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.780471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.780471 (E_RNA)
where:
Base-Base interactions energy: -53.391
where: short stacking energy: -32.275
Base-Backbone interact. energy: 2.002
local terms energy: -59.391053
where:
bonds (distance) C4'-P energy: -16.710
bonds (distance) P-C4' energy: -18.276
flat angles C4'-P-C4' energy: -9.056
flat angles P-C4'-P energy: -11.620
tors. eta vs tors. theta energy: -3.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 163
Temperature: 1.300000
Total energy: -96.541112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.541112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.541112 (E_RNA)
where:
Base-Base interactions energy: -33.468
where: short stacking energy: -30.472
Base-Backbone interact. energy: -0.038
local terms energy: -63.035296
where:
bonds (distance) C4'-P energy: -15.413
bonds (distance) P-C4' energy: -15.362
flat angles C4'-P-C4' energy: -15.975
flat angles P-C4'-P energy: -7.952
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: 10, replica: 8
=====================================
Write number: 163
Temperature: 1.350000
Total energy: -86.749564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.749564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.749564 (E_RNA)
where:
Base-Base interactions energy: -32.588
where: short stacking energy: -19.067
Base-Backbone interact. energy: -1.322
local terms energy: -52.838749
where:
bonds (distance) C4'-P energy: -11.569
bonds (distance) P-C4' energy: -16.160
flat angles C4'-P-C4' energy: -9.606
flat angles P-C4'-P energy: -10.805
tors. eta vs tors. theta energy: -4.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 164
Temperature: 0.900000
Total energy: -293.892392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.892392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.892392 (E_RNA)
where:
Base-Base interactions energy: -203.641
where: short stacking energy: -77.967
Base-Backbone interact. energy: -1.823
local terms energy: -88.428474
where:
bonds (distance) C4'-P energy: -18.737
bonds (distance) P-C4' energy: -17.062
flat angles C4'-P-C4' energy: -18.526
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -23.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 164
Temperature: 0.950000
Total energy: -275.137753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.137753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.137753 (E_RNA)
where:
Base-Base interactions energy: -187.340
where: short stacking energy: -87.015
Base-Backbone interact. energy: -0.008
local terms energy: -87.790257
where:
bonds (distance) C4'-P energy: -16.291
bonds (distance) P-C4' energy: -15.019
flat angles C4'-P-C4' energy: -19.367
flat angles P-C4'-P energy: -9.629
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: 3, replica: 2
=====================================
Write number: 164
Temperature: 1.000000
Total energy: -281.423165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.423165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.423165 (E_RNA)
where:
Base-Base interactions energy: -196.921
where: short stacking energy: -80.326
Base-Backbone interact. energy: -0.621
local terms energy: -83.881584
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -17.607
flat angles C4'-P-C4' energy: -16.757
flat angles P-C4'-P energy: -9.542
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: 4, replica: 7
=====================================
Write number: 164
Temperature: 1.050000
Total energy: -256.019082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.019082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.019082 (E_RNA)
where:
Base-Base interactions energy: -170.843
where: short stacking energy: -71.320
Base-Backbone interact. energy: -0.773
local terms energy: -84.402771
where:
bonds (distance) C4'-P energy: -10.999
bonds (distance) P-C4' energy: -14.964
flat angles C4'-P-C4' energy: -18.839
flat angles P-C4'-P energy: -14.776
tors. eta vs tors. theta energy: -24.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 164
Temperature: 1.100000
Total energy: -272.343228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.343228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.343228 (E_RNA)
where:
Base-Base interactions energy: -180.944
where: short stacking energy: -78.182
Base-Backbone interact. energy: -0.187
local terms energy: -91.212518
where:
bonds (distance) C4'-P energy: -15.813
bonds (distance) P-C4' energy: -18.485
flat angles C4'-P-C4' energy: -18.119
flat angles P-C4'-P energy: -14.198
tors. eta vs tors. theta energy: -24.598
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: 164
Temperature: 1.150000
Total energy: -266.964213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.964213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.964213 (E_RNA)
where:
Base-Base interactions energy: -176.378
where: short stacking energy: -81.288
Base-Backbone interact. energy: -0.031
local terms energy: -90.555486
where:
bonds (distance) C4'-P energy: -16.074
bonds (distance) P-C4' energy: -21.356
flat angles C4'-P-C4' energy: -16.655
flat angles P-C4'-P energy: -11.690
tors. eta vs tors. theta energy: -24.781
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: 5
=====================================
Write number: 164
Temperature: 1.200000
Total energy: -256.799381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.799381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.799381 (E_RNA)
where:
Base-Base interactions energy: -171.510
where: short stacking energy: -72.044
Base-Backbone interact. energy: -0.170
local terms energy: -85.119204
where:
bonds (distance) C4'-P energy: -18.126
bonds (distance) P-C4' energy: -14.430
flat angles C4'-P-C4' energy: -17.562
flat angles P-C4'-P energy: -12.491
tors. eta vs tors. theta energy: -22.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 164
Temperature: 1.250000
Total energy: -101.763862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.763862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.763862 (E_RNA)
where:
Base-Base interactions energy: -46.257
where: short stacking energy: -40.988
Base-Backbone interact. energy: -1.291
local terms energy: -54.216085
where:
bonds (distance) C4'-P energy: -14.479
bonds (distance) P-C4' energy: -14.445
flat angles C4'-P-C4' energy: -14.871
flat angles P-C4'-P energy: -3.647
tors. eta vs tors. theta energy: -6.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 164
Temperature: 1.300000
Total energy: -87.213497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.213497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.213497 (E_RNA)
where:
Base-Base interactions energy: -37.566
where: short stacking energy: -26.268
Base-Backbone interact. energy: -0.589
local terms energy: -49.058703
where:
bonds (distance) C4'-P energy: -9.543
bonds (distance) P-C4' energy: -16.233
flat angles C4'-P-C4' energy: -7.381
flat angles P-C4'-P energy: -13.147
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: 8
=====================================
Write number: 164
Temperature: 1.350000
Total energy: -83.490016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.490016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.490016 (E_RNA)
where:
Base-Base interactions energy: -32.723
where: short stacking energy: -25.870
Base-Backbone interact. energy: 0.482
local terms energy: -51.249212
where:
bonds (distance) C4'-P energy: -15.780
bonds (distance) P-C4' energy: -16.993
flat angles C4'-P-C4' energy: -7.841
flat angles P-C4'-P energy: -8.338
tors. eta vs tors. theta energy: -2.297
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 165
Temperature: 0.900000
Total energy: -294.509534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.509534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.509534 (E_RNA)
where:
Base-Base interactions energy: -200.303
where: short stacking energy: -83.706
Base-Backbone interact. energy: -0.009
local terms energy: -94.197317
where:
bonds (distance) C4'-P energy: -19.359
bonds (distance) P-C4' energy: -19.773
flat angles C4'-P-C4' energy: -19.649
flat angles P-C4'-P energy: -13.114
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: 2, replica: 2
=====================================
Write number: 165
Temperature: 0.950000
Total energy: -287.499328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.499328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.499328 (E_RNA)
where:
Base-Base interactions energy: -199.374
where: short stacking energy: -78.165
Base-Backbone interact. energy: -0.008
local terms energy: -88.116590
where:
bonds (distance) C4'-P energy: -16.451
bonds (distance) P-C4' energy: -15.143
flat angles C4'-P-C4' energy: -16.448
flat angles P-C4'-P energy: -14.598
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: 3, replica: 6
=====================================
Write number: 165
Temperature: 1.000000
Total energy: -275.473551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.473551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.473551 (E_RNA)
where:
Base-Base interactions energy: -187.483
where: short stacking energy: -81.312
Base-Backbone interact. energy: -0.155
local terms energy: -87.835457
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -19.196
flat angles C4'-P-C4' energy: -16.842
flat angles P-C4'-P energy: -16.828
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: 4, replica: 3
=====================================
Write number: 165
Temperature: 1.050000
Total energy: -268.037668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.037668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.037668 (E_RNA)
where:
Base-Base interactions energy: -174.584
where: short stacking energy: -78.687
Base-Backbone interact. energy: -0.346
local terms energy: -93.107936
where:
bonds (distance) C4'-P energy: -13.092
bonds (distance) P-C4' energy: -20.627
flat angles C4'-P-C4' energy: -20.288
flat angles P-C4'-P energy: -12.837
tors. eta vs tors. theta energy: -26.264
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 165
Temperature: 1.100000
Total energy: -258.658626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.658626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.658626 (E_RNA)
where:
Base-Base interactions energy: -173.199
where: short stacking energy: -66.449
Base-Backbone interact. energy: -0.306
local terms energy: -85.153796
where:
bonds (distance) C4'-P energy: -15.901
bonds (distance) P-C4' energy: -13.157
flat angles C4'-P-C4' energy: -18.868
flat angles P-C4'-P energy: -17.354
tors. eta vs tors. theta energy: -19.873
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: 5
=====================================
Write number: 165
Temperature: 1.150000
Total energy: -268.853995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.853995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.853995 (E_RNA)
where:
Base-Base interactions energy: -183.484
where: short stacking energy: -73.106
Base-Backbone interact. energy: -2.087
local terms energy: -83.282514
where:
bonds (distance) C4'-P energy: -10.052
bonds (distance) P-C4' energy: -17.287
flat angles C4'-P-C4' energy: -19.068
flat angles P-C4'-P energy: -10.691
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: 7, replica: 4
=====================================
Write number: 165
Temperature: 1.200000
Total energy: -260.885842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.885842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.885842 (E_RNA)
where:
Base-Base interactions energy: -179.123
where: short stacking energy: -71.823
Base-Backbone interact. energy: -0.179
local terms energy: -81.583521
where:
bonds (distance) C4'-P energy: -17.679
bonds (distance) P-C4' energy: -17.855
flat angles C4'-P-C4' energy: -13.463
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: -22.099
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 165
Temperature: 1.250000
Total energy: -101.130869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.130869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.130869 (E_RNA)
where:
Base-Base interactions energy: -52.352
where: short stacking energy: -41.642
Base-Backbone interact. energy: -0.276
local terms energy: -48.502504
where:
bonds (distance) C4'-P energy: -7.002
bonds (distance) P-C4' energy: -16.791
flat angles C4'-P-C4' energy: -13.875
flat angles P-C4'-P energy: -8.441
tors. eta vs tors. theta energy: -2.393
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 165
Temperature: 1.300000
Total energy: -90.600216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.600216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.600216 (E_RNA)
where:
Base-Base interactions energy: -29.039
where: short stacking energy: -29.039
Base-Backbone interact. energy: -0.112
local terms energy: -61.449517
where:
bonds (distance) C4'-P energy: -15.370
bonds (distance) P-C4' energy: -17.968
flat angles C4'-P-C4' energy: -12.194
flat angles P-C4'-P energy: -11.889
tors. eta vs tors. theta energy: -4.028
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: 8
=====================================
Write number: 165
Temperature: 1.350000
Total energy: -91.141698 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.141698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.141698 (E_RNA)
where:
Base-Base interactions energy: -31.137
where: short stacking energy: -25.991
Base-Backbone interact. energy: -0.041
local terms energy: -59.963687
where:
bonds (distance) C4'-P energy: -12.730
bonds (distance) P-C4' energy: -19.763
flat angles C4'-P-C4' energy: -14.795
flat angles P-C4'-P energy: -9.140
tors. eta vs tors. theta energy: -3.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 166
Temperature: 0.900000
Total energy: -290.479737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.479737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.479737 (E_RNA)
where:
Base-Base interactions energy: -208.131
where: short stacking energy: -82.985
Base-Backbone interact. energy: -0.020
local terms energy: -82.329140
where:
bonds (distance) C4'-P energy: -16.698
bonds (distance) P-C4' energy: -19.955
flat angles C4'-P-C4' energy: -13.332
flat angles P-C4'-P energy: -8.457
tors. eta vs tors. theta energy: -23.887
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 166
Temperature: 0.950000
Total energy: -285.251963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.251963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.251963 (E_RNA)
where:
Base-Base interactions energy: -193.321
where: short stacking energy: -83.898
Base-Backbone interact. energy: -0.072
local terms energy: -91.858998
where:
bonds (distance) C4'-P energy: -19.807
bonds (distance) P-C4' energy: -16.604
flat angles C4'-P-C4' energy: -19.848
flat angles P-C4'-P energy: -8.405
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: 3, replica: 3
=====================================
Write number: 166
Temperature: 1.000000
Total energy: -275.237860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.237860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.237860 (E_RNA)
where:
Base-Base interactions energy: -189.288
where: short stacking energy: -74.220
Base-Backbone interact. energy: -0.466
local terms energy: -85.483236
where:
bonds (distance) C4'-P energy: -15.409
bonds (distance) P-C4' energy: -16.420
flat angles C4'-P-C4' energy: -18.796
flat angles P-C4'-P energy: -12.508
tors. eta vs tors. theta energy: -22.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 166
Temperature: 1.050000
Total energy: -278.895654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.895654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.895654 (E_RNA)
where:
Base-Base interactions energy: -188.771
where: short stacking energy: -80.613
Base-Backbone interact. energy: -0.604
local terms energy: -89.520742
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -21.289
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -12.343
tors. eta vs tors. theta energy: -26.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 166
Temperature: 1.100000
Total energy: -267.715196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.715196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.715196 (E_RNA)
where:
Base-Base interactions energy: -191.613
where: short stacking energy: -77.144
Base-Backbone interact. energy: -0.142
local terms energy: -75.960413
where:
bonds (distance) C4'-P energy: -16.113
bonds (distance) P-C4' energy: -17.911
flat angles C4'-P-C4' energy: -10.423
flat angles P-C4'-P energy: -7.412
tors. eta vs tors. theta energy: -24.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 166
Temperature: 1.150000
Total energy: -236.785519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.785519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.785519 (E_RNA)
where:
Base-Base interactions energy: -160.625
where: short stacking energy: -57.318
Base-Backbone interact. energy: -0.177
local terms energy: -75.983280
where:
bonds (distance) C4'-P energy: -16.317
bonds (distance) P-C4' energy: -19.781
flat angles C4'-P-C4' energy: -13.831
flat angles P-C4'-P energy: -8.897
tors. eta vs tors. theta energy: -17.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 166
Temperature: 1.200000
Total energy: -248.314204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.314204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.314204 (E_RNA)
where:
Base-Base interactions energy: -171.837
where: short stacking energy: -77.826
Base-Backbone interact. energy: -0.069
local terms energy: -76.408232
where:
bonds (distance) C4'-P energy: -15.897
bonds (distance) P-C4' energy: -14.404
flat angles C4'-P-C4' energy: -11.896
flat angles P-C4'-P energy: -9.911
tors. eta vs tors. theta energy: -24.300
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: 9
=====================================
Write number: 166
Temperature: 1.250000
Total energy: -101.386580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.386580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.386580 (E_RNA)
where:
Base-Base interactions energy: -35.917
where: short stacking energy: -33.274
Base-Backbone interact. energy: -0.108
local terms energy: -65.362100
where:
bonds (distance) C4'-P energy: -14.316
bonds (distance) P-C4' energy: -19.279
flat angles C4'-P-C4' energy: -17.156
flat angles P-C4'-P energy: -10.006
tors. eta vs tors. theta energy: -4.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 166
Temperature: 1.300000
Total energy: -96.765825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.765825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.765825 (E_RNA)
where:
Base-Base interactions energy: -36.466
where: short stacking energy: -25.394
Base-Backbone interact. energy: -0.076
local terms energy: -60.224520
where:
bonds (distance) C4'-P energy: -18.229
bonds (distance) P-C4' energy: -14.224
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -9.442
tors. eta vs tors. theta energy: -1.302
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: 1
=====================================
Write number: 166
Temperature: 1.350000
Total energy: -94.363232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.363232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.363232 (E_RNA)
where:
Base-Base interactions energy: -27.972
where: short stacking energy: -21.554
Base-Backbone interact. energy: -0.177
local terms energy: -66.214488
where:
bonds (distance) C4'-P energy: -14.392
bonds (distance) P-C4' energy: -19.380
flat angles C4'-P-C4' energy: -19.364
flat angles P-C4'-P energy: -12.592
tors. eta vs tors. theta energy: -0.488
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 167
Temperature: 0.900000
Total energy: -285.988616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.988616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.988616 (E_RNA)
where:
Base-Base interactions energy: -192.116
where: short stacking energy: -80.153
Base-Backbone interact. energy: -0.999
local terms energy: -92.873118
where:
bonds (distance) C4'-P energy: -16.751
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -19.239
flat angles P-C4'-P energy: -14.713
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: 2, replica: 10
=====================================
Write number: 167
Temperature: 0.950000
Total energy: -281.251813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.251813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.251813 (E_RNA)
where:
Base-Base interactions energy: -194.775
where: short stacking energy: -77.706
Base-Backbone interact. energy: -0.254
local terms energy: -86.222978
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -17.674
flat angles C4'-P-C4' energy: -19.074
flat angles P-C4'-P energy: -9.311
tors. eta vs tors. theta energy: -24.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 167
Temperature: 1.000000
Total energy: -274.874827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.874827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.874827 (E_RNA)
where:
Base-Base interactions energy: -195.111
where: short stacking energy: -79.084
Base-Backbone interact. energy: 0.466
local terms energy: -80.230378
where:
bonds (distance) C4'-P energy: -11.659
bonds (distance) P-C4' energy: -15.910
flat angles C4'-P-C4' energy: -16.695
flat angles P-C4'-P energy: -10.649
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: 4, replica: 6
=====================================
Write number: 167
Temperature: 1.050000
Total energy: -282.707824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.707824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.707824 (E_RNA)
where:
Base-Base interactions energy: -192.611
where: short stacking energy: -74.029
Base-Backbone interact. energy: -0.673
local terms energy: -89.424524
where:
bonds (distance) C4'-P energy: -17.458
bonds (distance) P-C4' energy: -16.533
flat angles C4'-P-C4' energy: -17.694
flat angles P-C4'-P energy: -14.670
tors. eta vs tors. theta energy: -23.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 167
Temperature: 1.100000
Total energy: -274.105037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.105037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.105037 (E_RNA)
where:
Base-Base interactions energy: -180.713
where: short stacking energy: -73.172
Base-Backbone interact. energy: -1.247
local terms energy: -92.145628
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -20.693
flat angles C4'-P-C4' energy: -19.169
flat angles P-C4'-P energy: -13.869
tors. eta vs tors. theta energy: -24.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 167
Temperature: 1.150000
Total energy: -244.744678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.744678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.744678 (E_RNA)
where:
Base-Base interactions energy: -169.494
where: short stacking energy: -60.569
Base-Backbone interact. energy: -0.116
local terms energy: -75.134245
where:
bonds (distance) C4'-P energy: -15.551
bonds (distance) P-C4' energy: -16.686
flat angles C4'-P-C4' energy: -10.270
flat angles P-C4'-P energy: -12.709
tors. eta vs tors. theta energy: -19.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 167
Temperature: 1.200000
Total energy: -252.553658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.553658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.553658 (E_RNA)
where:
Base-Base interactions energy: -170.668
where: short stacking energy: -67.297
Base-Backbone interact. energy: -0.153
local terms energy: -81.733427
where:
bonds (distance) C4'-P energy: -15.907
bonds (distance) P-C4' energy: -17.036
flat angles C4'-P-C4' energy: -17.093
flat angles P-C4'-P energy: -9.345
tors. eta vs tors. theta energy: -22.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 167
Temperature: 1.250000
Total energy: -89.721904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.721904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.721904 (E_RNA)
where:
Base-Base interactions energy: -19.908
where: short stacking energy: -19.279
Base-Backbone interact. energy: -0.729
local terms energy: -69.085288
where:
bonds (distance) C4'-P energy: -19.545
bonds (distance) P-C4' energy: -16.834
flat angles C4'-P-C4' energy: -18.138
flat angles P-C4'-P energy: -11.526
tors. eta vs tors. theta energy: -3.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 167
Temperature: 1.300000
Total energy: -100.165288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.165288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.165288 (E_RNA)
where:
Base-Base interactions energy: -47.181
where: short stacking energy: -26.686
Base-Backbone interact. energy: 1.628
local terms energy: -54.612618
where:
bonds (distance) C4'-P energy: -16.193
bonds (distance) P-C4' energy: -15.605
flat angles C4'-P-C4' energy: -17.663
flat angles P-C4'-P energy: -5.176
tors. eta vs tors. theta energy: 0.025
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: 1
=====================================
Write number: 167
Temperature: 1.350000
Total energy: -103.254175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.254175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.254175 (E_RNA)
where:
Base-Base interactions energy: -46.648
where: short stacking energy: -35.837
Base-Backbone interact. energy: 2.413
local terms energy: -59.019551
where:
bonds (distance) C4'-P energy: -8.322
bonds (distance) P-C4' energy: -14.457
flat angles C4'-P-C4' energy: -13.865
flat angles P-C4'-P energy: -10.144
tors. eta vs tors. theta energy: -12.231
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: 168
Temperature: 0.900000
Total energy: -286.984924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.984924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.984924 (E_RNA)
where:
Base-Base interactions energy: -189.132
where: short stacking energy: -84.795
Base-Backbone interact. energy: -0.582
local terms energy: -97.271379
where:
bonds (distance) C4'-P energy: -19.772
bonds (distance) P-C4' energy: -19.176
flat angles C4'-P-C4' energy: -21.385
flat angles P-C4'-P energy: -12.021
tors. eta vs tors. theta energy: -24.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 168
Temperature: 0.950000
Total energy: -287.460903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.460903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.460903 (E_RNA)
where:
Base-Base interactions energy: -196.744
where: short stacking energy: -80.069
Base-Backbone interact. energy: -0.003
local terms energy: -90.714576
where:
bonds (distance) C4'-P energy: -15.517
bonds (distance) P-C4' energy: -19.573
flat angles C4'-P-C4' energy: -14.468
flat angles P-C4'-P energy: -13.834
tors. eta vs tors. theta energy: -27.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 168
Temperature: 1.000000
Total energy: -270.119914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.119914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.119914 (E_RNA)
where:
Base-Base interactions energy: -192.313
where: short stacking energy: -67.092
Base-Backbone interact. energy: -0.022
local terms energy: -77.785196
where:
bonds (distance) C4'-P energy: -10.748
bonds (distance) P-C4' energy: -17.534
flat angles C4'-P-C4' energy: -16.350
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: -23.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 168
Temperature: 1.050000
Total energy: -273.096976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.096976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.096976 (E_RNA)
where:
Base-Base interactions energy: -178.690
where: short stacking energy: -85.774
Base-Backbone interact. energy: -0.075
local terms energy: -94.332100
where:
bonds (distance) C4'-P energy: -19.429
bonds (distance) P-C4' energy: -15.965
flat angles C4'-P-C4' energy: -17.118
flat angles P-C4'-P energy: -12.982
tors. eta vs tors. theta energy: -28.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 168
Temperature: 1.100000
Total energy: -263.067492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.067492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.067492 (E_RNA)
where:
Base-Base interactions energy: -176.996
where: short stacking energy: -72.288
Base-Backbone interact. energy: -0.081
local terms energy: -85.990560
where:
bonds (distance) C4'-P energy: -14.316
bonds (distance) P-C4' energy: -14.361
flat angles C4'-P-C4' energy: -18.943
flat angles P-C4'-P energy: -14.189
tors. eta vs tors. theta energy: -24.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 168
Temperature: 1.150000
Total energy: -253.169289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.169289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.169289 (E_RNA)
where:
Base-Base interactions energy: -173.046
where: short stacking energy: -67.913
Base-Backbone interact. energy: 2.246
local terms energy: -82.369632
where:
bonds (distance) C4'-P energy: -16.207
bonds (distance) P-C4' energy: -17.871
flat angles C4'-P-C4' energy: -17.290
flat angles P-C4'-P energy: -11.311
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: 7, replica: 4
=====================================
Write number: 168
Temperature: 1.200000
Total energy: -258.051442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.051442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.051442 (E_RNA)
where:
Base-Base interactions energy: -173.279
where: short stacking energy: -75.999
Base-Backbone interact. energy: -0.003
local terms energy: -84.769070
where:
bonds (distance) C4'-P energy: -16.021
bonds (distance) P-C4' energy: -12.675
flat angles C4'-P-C4' energy: -19.142
flat angles P-C4'-P energy: -13.302
tors. eta vs tors. theta energy: -23.629
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: 8
=====================================
Write number: 168
Temperature: 1.250000
Total energy: -100.130366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.130366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.130366 (E_RNA)
where:
Base-Base interactions energy: -41.570
where: short stacking energy: -28.453
Base-Backbone interact. energy: -0.186
local terms energy: -58.374454
where:
bonds (distance) C4'-P energy: -16.862
bonds (distance) P-C4' energy: -16.686
flat angles C4'-P-C4' energy: -16.161
flat angles P-C4'-P energy: -9.007
tors. eta vs tors. theta energy: 0.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 168
Temperature: 1.300000
Total energy: -151.027693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.027693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.027693 (E_RNA)
where:
Base-Base interactions energy: -89.483
where: short stacking energy: -40.223
Base-Backbone interact. energy: -0.355
local terms energy: -61.189811
where:
bonds (distance) C4'-P energy: -12.658
bonds (distance) P-C4' energy: -17.365
flat angles C4'-P-C4' energy: -14.510
flat angles P-C4'-P energy: -9.160
tors. eta vs tors. theta energy: -7.496
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: 1
=====================================
Write number: 168
Temperature: 1.350000
Total energy: -85.287326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.287326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.287326 (E_RNA)
where:
Base-Base interactions energy: -25.002
where: short stacking energy: -24.584
Base-Backbone interact. energy: -0.235
local terms energy: -60.049669
where:
bonds (distance) C4'-P energy: -5.498
bonds (distance) P-C4' energy: -18.045
flat angles C4'-P-C4' energy: -20.603
flat angles P-C4'-P energy: -13.960
tors. eta vs tors. theta energy: -1.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 169
Temperature: 0.900000
Total energy: -287.673304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.673304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.673304 (E_RNA)
where:
Base-Base interactions energy: -197.739
where: short stacking energy: -80.180
Base-Backbone interact. energy: -0.016
local terms energy: -89.918519
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -16.478
flat angles C4'-P-C4' energy: -17.958
flat angles P-C4'-P energy: -13.933
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: 2, replica: 2
=====================================
Write number: 169
Temperature: 0.950000
Total energy: -284.459734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.459734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.459734 (E_RNA)
where:
Base-Base interactions energy: -188.222
where: short stacking energy: -76.730
Base-Backbone interact. energy: -2.158
local terms energy: -94.079889
where:
bonds (distance) C4'-P energy: -18.449
bonds (distance) P-C4' energy: -18.612
flat angles C4'-P-C4' energy: -20.677
flat angles P-C4'-P energy: -12.917
tors. eta vs tors. theta energy: -23.425
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 169
Temperature: 1.000000
Total energy: -290.824472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.824472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.824472 (E_RNA)
where:
Base-Base interactions energy: -194.471
where: short stacking energy: -77.597
Base-Backbone interact. energy: -0.414
local terms energy: -95.939123
where:
bonds (distance) C4'-P energy: -18.701
bonds (distance) P-C4' energy: -15.365
flat angles C4'-P-C4' energy: -21.689
flat angles P-C4'-P energy: -14.535
tors. eta vs tors. theta energy: -25.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 169
Temperature: 1.050000
Total energy: -272.480030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.480030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.480030 (E_RNA)
where:
Base-Base interactions energy: -178.869
where: short stacking energy: -69.688
Base-Backbone interact. energy: -0.532
local terms energy: -93.078876
where:
bonds (distance) C4'-P energy: -15.555
bonds (distance) P-C4' energy: -21.002
flat angles C4'-P-C4' energy: -17.736
flat angles P-C4'-P energy: -10.488
tors. eta vs tors. theta energy: -28.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 169
Temperature: 1.100000
Total energy: -267.333002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.333002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.333002 (E_RNA)
where:
Base-Base interactions energy: -185.923
where: short stacking energy: -81.181
Base-Backbone interact. energy: -0.145
local terms energy: -81.264839
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -10.996
flat angles C4'-P-C4' energy: -18.789
flat angles P-C4'-P energy: -10.529
tors. eta vs tors. theta energy: -24.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 169
Temperature: 1.150000
Total energy: -268.681375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.681375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.681375 (E_RNA)
where:
Base-Base interactions energy: -179.628
where: short stacking energy: -76.051
Base-Backbone interact. energy: -0.035
local terms energy: -89.018125
where:
bonds (distance) C4'-P energy: -15.231
bonds (distance) P-C4' energy: -13.406
flat angles C4'-P-C4' energy: -19.387
flat angles P-C4'-P energy: -15.639
tors. eta vs tors. theta energy: -25.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 169
Temperature: 1.200000
Total energy: -242.030336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.030336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.030336 (E_RNA)
where:
Base-Base interactions energy: -166.274
where: short stacking energy: -64.679
Base-Backbone interact. energy: 0.409
local terms energy: -76.165102
where:
bonds (distance) C4'-P energy: -10.942
bonds (distance) P-C4' energy: -16.162
flat angles C4'-P-C4' energy: -18.052
flat angles P-C4'-P energy: -14.368
tors. eta vs tors. theta energy: -16.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 169
Temperature: 1.250000
Total energy: -166.372126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.372126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.372126 (E_RNA)
where:
Base-Base interactions energy: -99.709
where: short stacking energy: -45.134
Base-Backbone interact. energy: -1.485
local terms energy: -65.178485
where:
bonds (distance) C4'-P energy: -13.528
bonds (distance) P-C4' energy: -15.357
flat angles C4'-P-C4' energy: -15.597
flat angles P-C4'-P energy: -12.103
tors. eta vs tors. theta energy: -8.595
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: 8
=====================================
Write number: 169
Temperature: 1.300000
Total energy: -139.562344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.562344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.562344 (E_RNA)
where:
Base-Base interactions energy: -89.124
where: short stacking energy: -39.080
Base-Backbone interact. energy: -0.299
local terms energy: -50.138782
where:
bonds (distance) C4'-P energy: -16.504
bonds (distance) P-C4' energy: -7.505
flat angles C4'-P-C4' energy: -11.883
flat angles P-C4'-P energy: -11.041
tors. eta vs tors. theta energy: -3.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 169
Temperature: 1.350000
Total energy: -96.960760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.960760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.960760 (E_RNA)
where:
Base-Base interactions energy: -37.460
where: short stacking energy: -32.513
Base-Backbone interact. energy: -2.128
local terms energy: -57.372496
where:
bonds (distance) C4'-P energy: -15.103
bonds (distance) P-C4' energy: -18.591
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -7.953
tors. eta vs tors. theta energy: -1.691
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: 170
Temperature: 0.900000
Total energy: -287.718207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.718207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.718207 (E_RNA)
where:
Base-Base interactions energy: -199.723
where: short stacking energy: -82.219
Base-Backbone interact. energy: -0.439
local terms energy: -87.555963
where:
bonds (distance) C4'-P energy: -16.105
bonds (distance) P-C4' energy: -16.475
flat angles C4'-P-C4' energy: -19.262
flat angles P-C4'-P energy: -13.212
tors. eta vs tors. theta energy: -22.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 170
Temperature: 0.950000
Total energy: -283.729295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.729295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.729295 (E_RNA)
where:
Base-Base interactions energy: -199.192
where: short stacking energy: -84.613
Base-Backbone interact. energy: -0.125
local terms energy: -84.411527
where:
bonds (distance) C4'-P energy: -11.757
bonds (distance) P-C4' energy: -16.248
flat angles C4'-P-C4' energy: -18.040
flat angles P-C4'-P energy: -13.447
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: 7
=====================================
Write number: 170
Temperature: 1.000000
Total energy: -283.536555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.536555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.536555 (E_RNA)
where:
Base-Base interactions energy: -185.443
where: short stacking energy: -71.537
Base-Backbone interact. energy: -1.035
local terms energy: -97.058033
where:
bonds (distance) C4'-P energy: -17.531
bonds (distance) P-C4' energy: -15.726
flat angles C4'-P-C4' energy: -21.248
flat angles P-C4'-P energy: -14.989
tors. eta vs tors. theta energy: -27.563
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: 6
=====================================
Write number: 170
Temperature: 1.050000
Total energy: -266.061249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.061249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.061249 (E_RNA)
where:
Base-Base interactions energy: -180.954
where: short stacking energy: -75.578
Base-Backbone interact. energy: 0.027
local terms energy: -85.134554
where:
bonds (distance) C4'-P energy: -16.954
bonds (distance) P-C4' energy: -15.397
flat angles C4'-P-C4' energy: -17.914
flat angles P-C4'-P energy: -13.997
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: 5, replica: 4
=====================================
Write number: 170
Temperature: 1.100000
Total energy: -275.834784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.834784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.834784 (E_RNA)
where:
Base-Base interactions energy: -182.464
where: short stacking energy: -75.877
Base-Backbone interact. energy: 0.082
local terms energy: -93.452722
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -20.580
flat angles C4'-P-C4' energy: -18.406
flat angles P-C4'-P energy: -13.514
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: 6, replica: 3
=====================================
Write number: 170
Temperature: 1.150000
Total energy: -248.085905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.085905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.085905 (E_RNA)
where:
Base-Base interactions energy: -170.117
where: short stacking energy: -70.138
Base-Backbone interact. energy: -0.637
local terms energy: -77.331756
where:
bonds (distance) C4'-P energy: -13.542
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -17.684
flat angles P-C4'-P energy: -11.160
tors. eta vs tors. theta energy: -17.866
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 170
Temperature: 1.200000
Total energy: -246.964488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.964488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.964488 (E_RNA)
where:
Base-Base interactions energy: -161.724
where: short stacking energy: -67.621
Base-Backbone interact. energy: -0.021
local terms energy: -85.218899
where:
bonds (distance) C4'-P energy: -18.370
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -18.756
flat angles P-C4'-P energy: -10.901
tors. eta vs tors. theta energy: -21.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 170
Temperature: 1.250000
Total energy: -158.015058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.015058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.015058 (E_RNA)
where:
Base-Base interactions energy: -95.146
where: short stacking energy: -44.919
Base-Backbone interact. energy: -0.492
local terms energy: -62.376637
where:
bonds (distance) C4'-P energy: -13.460
bonds (distance) P-C4' energy: -14.965
flat angles C4'-P-C4' energy: -16.469
flat angles P-C4'-P energy: -7.733
tors. eta vs tors. theta energy: -9.750
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: 8
=====================================
Write number: 170
Temperature: 1.300000
Total energy: -155.504021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.504021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.504021 (E_RNA)
where:
Base-Base interactions energy: -96.470
where: short stacking energy: -37.987
Base-Backbone interact. energy: -1.348
local terms energy: -57.686137
where:
bonds (distance) C4'-P energy: -16.885
bonds (distance) P-C4' energy: -15.345
flat angles C4'-P-C4' energy: -19.253
flat angles P-C4'-P energy: -2.764
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: 10, replica: 1
=====================================
Write number: 170
Temperature: 1.350000
Total energy: -86.673480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.673480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.673480 (E_RNA)
where:
Base-Base interactions energy: -27.339
where: short stacking energy: -21.214
Base-Backbone interact. energy: -0.204
local terms energy: -59.129894
where:
bonds (distance) C4'-P energy: -18.672
bonds (distance) P-C4' energy: -16.539
flat angles C4'-P-C4' energy: -8.639
flat angles P-C4'-P energy: -12.509
tors. eta vs tors. theta energy: -2.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 171
Temperature: 0.900000
Total energy: -289.624784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.624784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.624784 (E_RNA)
where:
Base-Base interactions energy: -194.512
where: short stacking energy: -79.528
Base-Backbone interact. energy: -0.371
local terms energy: -94.741882
where:
bonds (distance) C4'-P energy: -18.403
bonds (distance) P-C4' energy: -17.410
flat angles C4'-P-C4' energy: -19.575
flat angles P-C4'-P energy: -13.935
tors. eta vs tors. theta energy: -25.419
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: 7
=====================================
Write number: 171
Temperature: 0.950000
Total energy: -283.795642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.795642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.795642 (E_RNA)
where:
Base-Base interactions energy: -200.886
where: short stacking energy: -79.366
Base-Backbone interact. energy: -0.586
local terms energy: -82.324276
where:
bonds (distance) C4'-P energy: -16.407
bonds (distance) P-C4' energy: -14.039
flat angles C4'-P-C4' energy: -18.632
flat angles P-C4'-P energy: -10.794
tors. eta vs tors. theta energy: -22.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 171
Temperature: 1.000000
Total energy: -283.279334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.279334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.279334 (E_RNA)
where:
Base-Base interactions energy: -186.370
where: short stacking energy: -77.582
Base-Backbone interact. energy: -0.020
local terms energy: -96.889941
where:
bonds (distance) C4'-P energy: -19.926
bonds (distance) P-C4' energy: -18.555
flat angles C4'-P-C4' energy: -18.091
flat angles P-C4'-P energy: -14.258
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: 4, replica: 4
=====================================
Write number: 171
Temperature: 1.050000
Total energy: -270.857190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.857190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.857190 (E_RNA)
where:
Base-Base interactions energy: -184.214
where: short stacking energy: -71.729
Base-Backbone interact. energy: -0.003
local terms energy: -86.640326
where:
bonds (distance) C4'-P energy: -18.212
bonds (distance) P-C4' energy: -17.413
flat angles C4'-P-C4' energy: -15.039
flat angles P-C4'-P energy: -11.433
tors. eta vs tors. theta energy: -24.543
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: 6
=====================================
Write number: 171
Temperature: 1.100000
Total energy: -266.892992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.892992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.892992 (E_RNA)
where:
Base-Base interactions energy: -189.695
where: short stacking energy: -74.516
Base-Backbone interact. energy: -0.134
local terms energy: -77.064210
where:
bonds (distance) C4'-P energy: -14.338
bonds (distance) P-C4' energy: -8.993
flat angles C4'-P-C4' energy: -19.089
flat angles P-C4'-P energy: -10.536
tors. eta vs tors. theta energy: -24.107
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: 5
=====================================
Write number: 171
Temperature: 1.150000
Total energy: -257.165954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.165954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.165954 (E_RNA)
where:
Base-Base interactions energy: -179.478
where: short stacking energy: -61.639
Base-Backbone interact. energy: -0.232
local terms energy: -77.456455
where:
bonds (distance) C4'-P energy: -17.024
bonds (distance) P-C4' energy: -19.222
flat angles C4'-P-C4' energy: -15.107
flat angles P-C4'-P energy: -7.607
tors. eta vs tors. theta energy: -18.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 171
Temperature: 1.200000
Total energy: -246.393175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.393175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.393175 (E_RNA)
where:
Base-Base interactions energy: -176.816
where: short stacking energy: -59.950
Base-Backbone interact. energy: -1.348
local terms energy: -68.229249
where:
bonds (distance) C4'-P energy: -13.397
bonds (distance) P-C4' energy: -13.109
flat angles C4'-P-C4' energy: -13.118
flat angles P-C4'-P energy: -9.568
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: 8, replica: 8
=====================================
Write number: 171
Temperature: 1.250000
Total energy: -151.518422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.518422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.518422 (E_RNA)
where:
Base-Base interactions energy: -93.926
where: short stacking energy: -42.246
Base-Backbone interact. energy: -0.190
local terms energy: -57.402430
where:
bonds (distance) C4'-P energy: -15.030
bonds (distance) P-C4' energy: -14.552
flat angles C4'-P-C4' energy: -15.082
flat angles P-C4'-P energy: -6.114
tors. eta vs tors. theta energy: -6.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 171
Temperature: 1.300000
Total energy: -153.689980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.689980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.689980 (E_RNA)
where:
Base-Base interactions energy: -89.734
where: short stacking energy: -43.036
Base-Backbone interact. energy: -0.219
local terms energy: -63.736715
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -15.361
flat angles C4'-P-C4' energy: -17.376
flat angles P-C4'-P energy: -11.204
tors. eta vs tors. theta energy: -7.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 171
Temperature: 1.350000
Total energy: -86.215803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.215803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.215803 (E_RNA)
where:
Base-Base interactions energy: -34.129
where: short stacking energy: -33.297
Base-Backbone interact. energy: 1.619
local terms energy: -53.705330
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -18.156
flat angles C4'-P-C4' energy: -10.135
flat angles P-C4'-P energy: -8.232
tors. eta vs tors. theta energy: -2.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 172
Temperature: 0.900000
Total energy: -288.146356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.146356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.146356 (E_RNA)
where:
Base-Base interactions energy: -194.854
where: short stacking energy: -80.546
Base-Backbone interact. energy: -1.907
local terms energy: -91.385414
where:
bonds (distance) C4'-P energy: -19.052
bonds (distance) P-C4' energy: -16.937
flat angles C4'-P-C4' energy: -19.318
flat angles P-C4'-P energy: -13.995
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: 2, replica: 7
=====================================
Write number: 172
Temperature: 0.950000
Total energy: -279.256020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.256020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.256020 (E_RNA)
where:
Base-Base interactions energy: -195.848
where: short stacking energy: -84.767
Base-Backbone interact. energy: -2.063
local terms energy: -81.344875
where:
bonds (distance) C4'-P energy: -16.565
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -14.528
flat angles P-C4'-P energy: -9.046
tors. eta vs tors. theta energy: -26.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 172
Temperature: 1.000000
Total energy: -272.123624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.123624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.123624 (E_RNA)
where:
Base-Base interactions energy: -187.420
where: short stacking energy: -77.527
Base-Backbone interact. energy: -0.215
local terms energy: -84.488474
where:
bonds (distance) C4'-P energy: -16.583
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -19.203
flat angles P-C4'-P energy: -9.734
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: 4
=====================================
Write number: 172
Temperature: 1.050000
Total energy: -277.030358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.030358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.030358 (E_RNA)
where:
Base-Base interactions energy: -188.729
where: short stacking energy: -72.752
Base-Backbone interact. energy: -1.562
local terms energy: -86.739234
where:
bonds (distance) C4'-P energy: -14.574
bonds (distance) P-C4' energy: -20.352
flat angles C4'-P-C4' energy: -15.484
flat angles P-C4'-P energy: -12.619
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: 5
=====================================
Write number: 172
Temperature: 1.100000
Total energy: -255.819528 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.819528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.819528 (E_RNA)
where:
Base-Base interactions energy: -171.906
where: short stacking energy: -62.255
Base-Backbone interact. energy: -0.930
local terms energy: -82.983812
where:
bonds (distance) C4'-P energy: -17.963
bonds (distance) P-C4' energy: -17.930
flat angles C4'-P-C4' energy: -17.099
flat angles P-C4'-P energy: -13.755
tors. eta vs tors. theta energy: -16.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 172
Temperature: 1.150000
Total energy: -258.814122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.814122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.814122 (E_RNA)
where:
Base-Base interactions energy: -173.160
where: short stacking energy: -67.551
Base-Backbone interact. energy: -0.887
local terms energy: -84.767709
where:
bonds (distance) C4'-P energy: -11.450
bonds (distance) P-C4' energy: -19.014
flat angles C4'-P-C4' energy: -19.476
flat angles P-C4'-P energy: -13.397
tors. eta vs tors. theta energy: -21.432
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: 7, replica: 3
=====================================
Write number: 172
Temperature: 1.200000
Total energy: -246.563580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.563580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.563580 (E_RNA)
where:
Base-Base interactions energy: -178.679
where: short stacking energy: -74.198
Base-Backbone interact. energy: -0.168
local terms energy: -67.716313
where:
bonds (distance) C4'-P energy: -3.707
bonds (distance) P-C4' energy: -16.889
flat angles C4'-P-C4' energy: -16.715
flat angles P-C4'-P energy: -11.046
tors. eta vs tors. theta energy: -19.361
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 172
Temperature: 1.250000
Total energy: -167.563709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.563709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.563709 (E_RNA)
where:
Base-Base interactions energy: -91.918
where: short stacking energy: -37.286
Base-Backbone interact. energy: -0.391
local terms energy: -75.255012
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -20.014
flat angles C4'-P-C4' energy: -19.968
flat angles P-C4'-P energy: -13.650
tors. eta vs tors. theta energy: -5.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 172
Temperature: 1.300000
Total energy: -93.148793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.148793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.148793 (E_RNA)
where:
Base-Base interactions energy: -44.905
where: short stacking energy: -44.837
Base-Backbone interact. energy: 2.738
local terms energy: -50.981334
where:
bonds (distance) C4'-P energy: -12.367
bonds (distance) P-C4' energy: -12.695
flat angles C4'-P-C4' energy: -15.203
flat angles P-C4'-P energy: -8.566
tors. eta vs tors. theta energy: -2.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 172
Temperature: 1.350000
Total energy: -136.317398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.317398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.317398 (E_RNA)
where:
Base-Base interactions energy: -86.606
where: short stacking energy: -38.074
Base-Backbone interact. energy: -0.047
local terms energy: -49.664222
where:
bonds (distance) C4'-P energy: -13.323
bonds (distance) P-C4' energy: -18.958
flat angles C4'-P-C4' energy: -7.102
flat angles P-C4'-P energy: -5.617
tors. eta vs tors. theta energy: -4.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 173
Temperature: 0.900000
Total energy: -283.904532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.904532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.904532 (E_RNA)
where:
Base-Base interactions energy: -192.369
where: short stacking energy: -79.147
Base-Backbone interact. energy: -1.400
local terms energy: -90.135370
where:
bonds (distance) C4'-P energy: -16.636
bonds (distance) P-C4' energy: -18.710
flat angles C4'-P-C4' energy: -20.321
flat angles P-C4'-P energy: -11.225
tors. eta vs tors. theta energy: -23.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 173
Temperature: 0.950000
Total energy: -273.764361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.764361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.764361 (E_RNA)
where:
Base-Base interactions energy: -186.436
where: short stacking energy: -69.035
Base-Backbone interact. energy: -0.710
local terms energy: -86.618371
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -17.602
flat angles C4'-P-C4' energy: -20.868
flat angles P-C4'-P energy: -13.846
tors. eta vs tors. theta energy: -20.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 173
Temperature: 1.000000
Total energy: -280.057470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.057470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.057470 (E_RNA)
where:
Base-Base interactions energy: -187.925
where: short stacking energy: -78.803
Base-Backbone interact. energy: -1.227
local terms energy: -90.905451
where:
bonds (distance) C4'-P energy: -14.425
bonds (distance) P-C4' energy: -16.023
flat angles C4'-P-C4' energy: -19.676
flat angles P-C4'-P energy: -14.533
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: 4, replica: 5
=====================================
Write number: 173
Temperature: 1.050000
Total energy: -261.638615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.638615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.638615 (E_RNA)
where:
Base-Base interactions energy: -179.657
where: short stacking energy: -61.824
Base-Backbone interact. energy: 0.909
local terms energy: -82.890554
where:
bonds (distance) C4'-P energy: -17.094
bonds (distance) P-C4' energy: -16.094
flat angles C4'-P-C4' energy: -17.527
flat angles P-C4'-P energy: -13.303
tors. eta vs tors. theta energy: -18.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 173
Temperature: 1.100000
Total energy: -269.650358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.650358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.650358 (E_RNA)
where:
Base-Base interactions energy: -181.789
where: short stacking energy: -78.326
Base-Backbone interact. energy: -0.001
local terms energy: -87.860685
where:
bonds (distance) C4'-P energy: -11.970
bonds (distance) P-C4' energy: -20.006
flat angles C4'-P-C4' energy: -19.357
flat angles P-C4'-P energy: -12.730
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: 173
Temperature: 1.150000
Total energy: -260.896863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.896863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.896863 (E_RNA)
where:
Base-Base interactions energy: -180.831
where: short stacking energy: -69.665
Base-Backbone interact. energy: -0.754
local terms energy: -79.312405
where:
bonds (distance) C4'-P energy: -16.320
bonds (distance) P-C4' energy: -12.555
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: -13.007
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: 7, replica: 6
=====================================
Write number: 173
Temperature: 1.200000
Total energy: -254.155614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.155614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.155614 (E_RNA)
where:
Base-Base interactions energy: -166.069
where: short stacking energy: -63.838
Base-Backbone interact. energy: -0.418
local terms energy: -87.668633
where:
bonds (distance) C4'-P energy: -15.411
bonds (distance) P-C4' energy: -19.901
flat angles C4'-P-C4' energy: -18.103
flat angles P-C4'-P energy: -11.611
tors. eta vs tors. theta energy: -22.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 173
Temperature: 1.250000
Total energy: -180.401199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.401199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.401199 (E_RNA)
where:
Base-Base interactions energy: -112.209
where: short stacking energy: -50.268
Base-Backbone interact. energy: -0.209
local terms energy: -67.982845
where:
bonds (distance) C4'-P energy: -18.218
bonds (distance) P-C4' energy: -12.993
flat angles C4'-P-C4' energy: -13.107
flat angles P-C4'-P energy: -8.837
tors. eta vs tors. theta energy: -14.829
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 173
Temperature: 1.300000
Total energy: -96.737794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.737794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.737794 (E_RNA)
where:
Base-Base interactions energy: -42.093
where: short stacking energy: -24.056
Base-Backbone interact. energy: 0.534
local terms energy: -55.178609
where:
bonds (distance) C4'-P energy: -16.139
bonds (distance) P-C4' energy: -16.956
flat angles C4'-P-C4' energy: -9.378
flat angles P-C4'-P energy: -11.115
tors. eta vs tors. theta energy: -1.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 173
Temperature: 1.350000
Total energy: -143.697511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.697511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.697511 (E_RNA)
where:
Base-Base interactions energy: -88.215
where: short stacking energy: -35.729
Base-Backbone interact. energy: -0.186
local terms energy: -55.296939
where:
bonds (distance) C4'-P energy: -8.748
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -16.958
flat angles P-C4'-P energy: -7.688
tors. eta vs tors. theta energy: -4.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 174
Temperature: 0.900000
Total energy: -279.513337 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.513337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.513337 (E_RNA)
where:
Base-Base interactions energy: -193.238
where: short stacking energy: -72.722
Base-Backbone interact. energy: -0.824
local terms energy: -85.451287
where:
bonds (distance) C4'-P energy: -17.191
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -20.116
flat angles P-C4'-P energy: -11.683
tors. eta vs tors. theta energy: -18.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 174
Temperature: 0.950000
Total energy: -275.004616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.004616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.004616 (E_RNA)
where:
Base-Base interactions energy: -180.066
where: short stacking energy: -73.428
Base-Backbone interact. energy: -0.046
local terms energy: -94.893381
where:
bonds (distance) C4'-P energy: -16.504
bonds (distance) P-C4' energy: -16.200
flat angles C4'-P-C4' energy: -21.495
flat angles P-C4'-P energy: -14.500
tors. eta vs tors. theta energy: -26.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 174
Temperature: 1.000000
Total energy: -280.185995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.185995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.185995 (E_RNA)
where:
Base-Base interactions energy: -190.427
where: short stacking energy: -80.098
Base-Backbone interact. energy: -0.605
local terms energy: -89.154293
where:
bonds (distance) C4'-P energy: -16.855
bonds (distance) P-C4' energy: -13.858
flat angles C4'-P-C4' energy: -18.809
flat angles P-C4'-P energy: -15.433
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: 4, replica: 5
=====================================
Write number: 174
Temperature: 1.050000
Total energy: -280.145920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.145920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.145920 (E_RNA)
where:
Base-Base interactions energy: -194.579
where: short stacking energy: -84.164
Base-Backbone interact. energy: -0.393
local terms energy: -85.173845
where:
bonds (distance) C4'-P energy: -13.350
bonds (distance) P-C4' energy: -17.534
flat angles C4'-P-C4' energy: -18.697
flat angles P-C4'-P energy: -12.650
tors. eta vs tors. theta energy: -22.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 174
Temperature: 1.100000
Total energy: -263.444696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.444696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.444696 (E_RNA)
where:
Base-Base interactions energy: -178.914
where: short stacking energy: -70.166
Base-Backbone interact. energy: -1.867
local terms energy: -82.663631
where:
bonds (distance) C4'-P energy: -16.432
bonds (distance) P-C4' energy: -17.590
flat angles C4'-P-C4' energy: -14.439
flat angles P-C4'-P energy: -10.585
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: 6, replica: 4
=====================================
Write number: 174
Temperature: 1.150000
Total energy: -268.085252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.085252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.085252 (E_RNA)
where:
Base-Base interactions energy: -177.511
where: short stacking energy: -72.588
Base-Backbone interact. energy: 0.713
local terms energy: -91.287436
where:
bonds (distance) C4'-P energy: -18.407
bonds (distance) P-C4' energy: -20.318
flat angles C4'-P-C4' energy: -19.845
flat angles P-C4'-P energy: -8.988
tors. eta vs tors. theta energy: -23.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 174
Temperature: 1.200000
Total energy: -246.812310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.812310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.812310 (E_RNA)
where:
Base-Base interactions energy: -173.506
where: short stacking energy: -57.873
Base-Backbone interact. energy: 1.213
local terms energy: -74.518631
where:
bonds (distance) C4'-P energy: -14.976
bonds (distance) P-C4' energy: -17.432
flat angles C4'-P-C4' energy: -14.188
flat angles P-C4'-P energy: -13.437
tors. eta vs tors. theta energy: -14.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 174
Temperature: 1.250000
Total energy: -187.404612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.404612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.404612 (E_RNA)
where:
Base-Base interactions energy: -118.417
where: short stacking energy: -55.442
Base-Backbone interact. energy: -0.819
local terms energy: -68.168700
where:
bonds (distance) C4'-P energy: -12.260
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -17.930
flat angles P-C4'-P energy: -10.718
tors. eta vs tors. theta energy: -12.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 174
Temperature: 1.300000
Total energy: -171.218225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.218225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.218225 (E_RNA)
where:
Base-Base interactions energy: -103.278
where: short stacking energy: -49.894
Base-Backbone interact. energy: 0.108
local terms energy: -68.049053
where:
bonds (distance) C4'-P energy: -11.987
bonds (distance) P-C4' energy: -18.974
flat angles C4'-P-C4' energy: -15.060
flat angles P-C4'-P energy: -11.190
tors. eta vs tors. theta energy: -10.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 174
Temperature: 1.350000
Total energy: -88.225312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.225312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.225312 (E_RNA)
where:
Base-Base interactions energy: -30.388
where: short stacking energy: -30.388
Base-Backbone interact. energy: -0.039
local terms energy: -57.798225
where:
bonds (distance) C4'-P energy: -15.099
bonds (distance) P-C4' energy: -13.613
flat angles C4'-P-C4' energy: -17.383
flat angles P-C4'-P energy: -9.506
tors. eta vs tors. theta energy: -2.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 175
Temperature: 0.900000
Total energy: -283.511095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.511095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.511095 (E_RNA)
where:
Base-Base interactions energy: -200.761
where: short stacking energy: -81.270
Base-Backbone interact. energy: -0.121
local terms energy: -82.629322
where:
bonds (distance) C4'-P energy: -18.928
bonds (distance) P-C4' energy: -14.969
flat angles C4'-P-C4' energy: -20.243
flat angles P-C4'-P energy: -8.659
tors. eta vs tors. theta energy: -19.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 175
Temperature: 0.950000
Total energy: -280.899859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.899859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.899859 (E_RNA)
where:
Base-Base interactions energy: -192.244
where: short stacking energy: -77.257
Base-Backbone interact. energy: -0.494
local terms energy: -88.161051
where:
bonds (distance) C4'-P energy: -16.471
bonds (distance) P-C4' energy: -17.526
flat angles C4'-P-C4' energy: -19.849
flat angles P-C4'-P energy: -12.344
tors. eta vs tors. theta energy: -21.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 175
Temperature: 1.000000
Total energy: -271.781899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.781899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.781899 (E_RNA)
where:
Base-Base interactions energy: -181.638
where: short stacking energy: -81.460
Base-Backbone interact. energy: -0.153
local terms energy: -89.990718
where:
bonds (distance) C4'-P energy: -15.708
bonds (distance) P-C4' energy: -16.458
flat angles C4'-P-C4' energy: -20.330
flat angles P-C4'-P energy: -15.262
tors. eta vs tors. theta energy: -22.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 175
Temperature: 1.050000
Total energy: -268.112752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.112752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.112752 (E_RNA)
where:
Base-Base interactions energy: -184.087
where: short stacking energy: -75.937
Base-Backbone interact. energy: -0.122
local terms energy: -83.903300
where:
bonds (distance) C4'-P energy: -17.810
bonds (distance) P-C4' energy: -17.026
flat angles C4'-P-C4' energy: -16.355
flat angles P-C4'-P energy: -10.910
tors. eta vs tors. theta energy: -21.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 175
Temperature: 1.100000
Total energy: -269.005397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.005397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.005397 (E_RNA)
where:
Base-Base interactions energy: -187.450
where: short stacking energy: -68.260
Base-Backbone interact. energy: -0.028
local terms energy: -81.527713
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -14.015
flat angles C4'-P-C4' energy: -18.340
flat angles P-C4'-P energy: -10.912
tors. eta vs tors. theta energy: -22.615
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 175
Temperature: 1.150000
Total energy: -263.266959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.266959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.266959 (E_RNA)
where:
Base-Base interactions energy: -180.650
where: short stacking energy: -70.260
Base-Backbone interact. energy: 0.536
local terms energy: -83.152916
where:
bonds (distance) C4'-P energy: -18.992
bonds (distance) P-C4' energy: -17.252
flat angles C4'-P-C4' energy: -16.126
flat angles P-C4'-P energy: -8.259
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: 175
Temperature: 1.200000
Total energy: -245.929896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.929896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.929896 (E_RNA)
where:
Base-Base interactions energy: -173.135
where: short stacking energy: -66.962
Base-Backbone interact. energy: -0.083
local terms energy: -72.711957
where:
bonds (distance) C4'-P energy: -11.485
bonds (distance) P-C4' energy: -17.851
flat angles C4'-P-C4' energy: -17.872
flat angles P-C4'-P energy: -10.359
tors. eta vs tors. theta energy: -15.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 175
Temperature: 1.250000
Total energy: -184.103708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.103708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.103708 (E_RNA)
where:
Base-Base interactions energy: -121.932
where: short stacking energy: -51.476
Base-Backbone interact. energy: 0.100
local terms energy: -62.272094
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -13.144
flat angles P-C4'-P energy: -8.936
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: 9
=====================================
Write number: 175
Temperature: 1.300000
Total energy: -139.688669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.688669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.688669 (E_RNA)
where:
Base-Base interactions energy: -76.911
where: short stacking energy: -39.404
Base-Backbone interact. energy: -0.165
local terms energy: -62.612678
where:
bonds (distance) C4'-P energy: -19.012
bonds (distance) P-C4' energy: -16.847
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -2.823
tors. eta vs tors. theta energy: -7.440
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: 1
=====================================
Write number: 175
Temperature: 1.350000
Total energy: -81.104446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.104446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.104446 (E_RNA)
where:
Base-Base interactions energy: -30.346
where: short stacking energy: -25.625
Base-Backbone interact. energy: -0.534
local terms energy: -50.224518
where:
bonds (distance) C4'-P energy: -15.620
bonds (distance) P-C4' energy: -17.240
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -6.252
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: 1, replica: 7
=====================================
Write number: 176
Temperature: 0.900000
Total energy: -281.732463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.732463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.732463 (E_RNA)
where:
Base-Base interactions energy: -198.168
where: short stacking energy: -73.964
Base-Backbone interact. energy: -0.244
local terms energy: -83.320744
where:
bonds (distance) C4'-P energy: -14.861
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -13.160
tors. eta vs tors. theta energy: -20.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 176
Temperature: 0.950000
Total energy: -281.372276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.372276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.372276 (E_RNA)
where:
Base-Base interactions energy: -199.731
where: short stacking energy: -76.723
Base-Backbone interact. energy: -0.839
local terms energy: -80.803163
where:
bonds (distance) C4'-P energy: -11.295
bonds (distance) P-C4' energy: -20.409
flat angles C4'-P-C4' energy: -15.381
flat angles P-C4'-P energy: -10.434
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: 3, replica: 5
=====================================
Write number: 176
Temperature: 1.000000
Total energy: -281.691965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.691965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.691965 (E_RNA)
where:
Base-Base interactions energy: -192.706
where: short stacking energy: -75.536
Base-Backbone interact. energy: -0.696
local terms energy: -88.290226
where:
bonds (distance) C4'-P energy: -15.095
bonds (distance) P-C4' energy: -18.511
flat angles C4'-P-C4' energy: -14.790
flat angles P-C4'-P energy: -16.307
tors. eta vs tors. theta energy: -23.588
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 176
Temperature: 1.050000
Total energy: -270.523957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.523957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.523957 (E_RNA)
where:
Base-Base interactions energy: -189.414
where: short stacking energy: -70.675
Base-Backbone interact. energy: -0.736
local terms energy: -80.373286
where:
bonds (distance) C4'-P energy: -16.063
bonds (distance) P-C4' energy: -19.231
flat angles C4'-P-C4' energy: -18.672
flat angles P-C4'-P energy: -8.830
tors. eta vs tors. theta energy: -17.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 176
Temperature: 1.100000
Total energy: -269.987777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.987777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.987777 (E_RNA)
where:
Base-Base interactions energy: -192.455
where: short stacking energy: -65.992
Base-Backbone interact. energy: -0.513
local terms energy: -77.019867
where:
bonds (distance) C4'-P energy: -16.522
bonds (distance) P-C4' energy: -10.613
flat angles C4'-P-C4' energy: -19.370
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: -19.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 176
Temperature: 1.150000
Total energy: -247.486633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.486633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.486633 (E_RNA)
where:
Base-Base interactions energy: -167.154
where: short stacking energy: -68.754
Base-Backbone interact. energy: -0.499
local terms energy: -79.833240
where:
bonds (distance) C4'-P energy: -14.303
bonds (distance) P-C4' energy: -12.097
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -14.414
tors. eta vs tors. theta energy: -23.891
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 176
Temperature: 1.200000
Total energy: -245.378990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.378990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.378990 (E_RNA)
where:
Base-Base interactions energy: -162.084
where: short stacking energy: -65.483
Base-Backbone interact. energy: -0.203
local terms energy: -83.092003
where:
bonds (distance) C4'-P energy: -16.424
bonds (distance) P-C4' energy: -16.314
flat angles C4'-P-C4' energy: -15.901
flat angles P-C4'-P energy: -12.335
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: 8, replica: 8
=====================================
Write number: 176
Temperature: 1.250000
Total energy: -162.433140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.433140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.433140 (E_RNA)
where:
Base-Base interactions energy: -101.363
where: short stacking energy: -42.313
Base-Backbone interact. energy: 2.242
local terms energy: -63.311804
where:
bonds (distance) C4'-P energy: -12.810
bonds (distance) P-C4' energy: -15.970
flat angles C4'-P-C4' energy: -15.879
flat angles P-C4'-P energy: -11.862
tors. eta vs tors. theta energy: -6.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 176
Temperature: 1.300000
Total energy: -147.683395 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.683395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.683395 (E_RNA)
where:
Base-Base interactions energy: -78.428
where: short stacking energy: -39.382
Base-Backbone interact. energy: -0.717
local terms energy: -68.538396
where:
bonds (distance) C4'-P energy: -11.249
bonds (distance) P-C4' energy: -15.884
flat angles C4'-P-C4' energy: -16.534
flat angles P-C4'-P energy: -13.017
tors. eta vs tors. theta energy: -11.854
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 176
Temperature: 1.350000
Total energy: -75.988281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.988281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.988281 (E_RNA)
where:
Base-Base interactions energy: -25.851
where: short stacking energy: -21.603
Base-Backbone interact. energy: -1.211
local terms energy: -48.926035
where:
bonds (distance) C4'-P energy: -18.751
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -16.163
flat angles P-C4'-P energy: -8.881
tors. eta vs tors. theta energy: 11.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 177
Temperature: 0.900000
Total energy: -282.152262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.152262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.152262 (E_RNA)
where:
Base-Base interactions energy: -192.526
where: short stacking energy: -75.606
Base-Backbone interact. energy: -0.651
local terms energy: -88.975004
where:
bonds (distance) C4'-P energy: -18.018
bonds (distance) P-C4' energy: -19.756
flat angles C4'-P-C4' energy: -16.758
flat angles P-C4'-P energy: -11.990
tors. eta vs tors. theta energy: -22.452
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 177
Temperature: 0.950000
Total energy: -282.701969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.701969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.701969 (E_RNA)
where:
Base-Base interactions energy: -188.508
where: short stacking energy: -78.859
Base-Backbone interact. energy: -0.887
local terms energy: -93.307366
where:
bonds (distance) C4'-P energy: -18.748
bonds (distance) P-C4' energy: -19.023
flat angles C4'-P-C4' energy: -16.654
flat angles P-C4'-P energy: -13.889
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: 3, replica: 10
=====================================
Write number: 177
Temperature: 1.000000
Total energy: -279.672864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.672864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.672864 (E_RNA)
where:
Base-Base interactions energy: -195.649
where: short stacking energy: -78.767
Base-Backbone interact. energy: -0.123
local terms energy: -83.900951
where:
bonds (distance) C4'-P energy: -11.593
bonds (distance) P-C4' energy: -21.007
flat angles C4'-P-C4' energy: -19.157
flat angles P-C4'-P energy: -8.587
tors. eta vs tors. theta energy: -23.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 177
Temperature: 1.050000
Total energy: -276.934318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.934318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.934318 (E_RNA)
where:
Base-Base interactions energy: -194.290
where: short stacking energy: -80.477
Base-Backbone interact. energy: -0.128
local terms energy: -82.515785
where:
bonds (distance) C4'-P energy: -18.039
bonds (distance) P-C4' energy: -17.008
flat angles C4'-P-C4' energy: -15.920
flat angles P-C4'-P energy: -9.459
tors. eta vs tors. theta energy: -22.090
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: 5, replica: 2
=====================================
Write number: 177
Temperature: 1.100000
Total energy: -266.588407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.588407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.588407 (E_RNA)
where:
Base-Base interactions energy: -182.110
where: short stacking energy: -69.837
Base-Backbone interact. energy: -0.443
local terms energy: -84.035485
where:
bonds (distance) C4'-P energy: -13.821
bonds (distance) P-C4' energy: -18.687
flat angles C4'-P-C4' energy: -15.365
flat angles P-C4'-P energy: -17.456
tors. eta vs tors. theta energy: -18.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 177
Temperature: 1.150000
Total energy: -249.400047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.400047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.400047 (E_RNA)
where:
Base-Base interactions energy: -167.131
where: short stacking energy: -69.175
Base-Backbone interact. energy: -0.074
local terms energy: -82.195009
where:
bonds (distance) C4'-P energy: -15.881
bonds (distance) P-C4' energy: -15.637
flat angles C4'-P-C4' energy: -17.486
flat angles P-C4'-P energy: -13.351
tors. eta vs tors. theta energy: -19.840
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 177
Temperature: 1.200000
Total energy: -251.521095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.521095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.521095 (E_RNA)
where:
Base-Base interactions energy: -174.421
where: short stacking energy: -73.904
Base-Backbone interact. energy: -0.164
local terms energy: -76.936083
where:
bonds (distance) C4'-P energy: -14.347
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -15.082
flat angles P-C4'-P energy: -12.911
tors. eta vs tors. theta energy: -18.082
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: 177
Temperature: 1.250000
Total energy: -180.722254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.722254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.722254 (E_RNA)
where:
Base-Base interactions energy: -107.765
where: short stacking energy: -47.716
Base-Backbone interact. energy: -0.333
local terms energy: -72.624316
where:
bonds (distance) C4'-P energy: -18.681
bonds (distance) P-C4' energy: -20.094
flat angles C4'-P-C4' energy: -16.279
flat angles P-C4'-P energy: -7.965
tors. eta vs tors. theta energy: -9.605
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 177
Temperature: 1.300000
Total energy: -165.157117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.157117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.157117 (E_RNA)
where:
Base-Base interactions energy: -98.987
where: short stacking energy: -42.080
Base-Backbone interact. energy: -0.209
local terms energy: -65.961318
where:
bonds (distance) C4'-P energy: -12.854
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -12.167
flat angles P-C4'-P energy: -11.720
tors. eta vs tors. theta energy: -12.882
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: 1
=====================================
Write number: 177
Temperature: 1.350000
Total energy: -94.009604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.009604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.009604 (E_RNA)
where:
Base-Base interactions energy: -48.326
where: short stacking energy: -19.288
Base-Backbone interact. energy: -0.105
local terms energy: -45.578532
where:
bonds (distance) C4'-P energy: -13.679
bonds (distance) P-C4' energy: -10.614
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -5.624
tors. eta vs tors. theta energy: -0.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 178
Temperature: 0.900000
Total energy: -277.899054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.899054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.899054 (E_RNA)
where:
Base-Base interactions energy: -197.340
where: short stacking energy: -72.492
Base-Backbone interact. energy: -0.303
local terms energy: -80.255928
where:
bonds (distance) C4'-P energy: -14.921
bonds (distance) P-C4' energy: -17.378
flat angles C4'-P-C4' energy: -17.706
flat angles P-C4'-P energy: -12.511
tors. eta vs tors. theta energy: -17.740
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 178
Temperature: 0.950000
Total energy: -285.024214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.024214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.024214 (E_RNA)
where:
Base-Base interactions energy: -194.837
where: short stacking energy: -80.720
Base-Backbone interact. energy: -0.303
local terms energy: -89.884275
where:
bonds (distance) C4'-P energy: -16.544
bonds (distance) P-C4' energy: -18.906
flat angles C4'-P-C4' energy: -16.035
flat angles P-C4'-P energy: -14.425
tors. eta vs tors. theta energy: -23.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 178
Temperature: 1.000000
Total energy: -277.710366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.710366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.710366 (E_RNA)
where:
Base-Base interactions energy: -190.301
where: short stacking energy: -82.679
Base-Backbone interact. energy: -0.002
local terms energy: -87.406614
where:
bonds (distance) C4'-P energy: -16.474
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -17.125
flat angles P-C4'-P energy: -11.307
tors. eta vs tors. theta energy: -25.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 178
Temperature: 1.050000
Total energy: -270.227693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.227693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.227693 (E_RNA)
where:
Base-Base interactions energy: -179.686
where: short stacking energy: -73.328
Base-Backbone interact. energy: -0.756
local terms energy: -89.785106
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -18.397
flat angles C4'-P-C4' energy: -17.701
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -25.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 2
=====================================
Write number: 178
Temperature: 1.100000
Total energy: -266.132386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.132386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.132386 (E_RNA)
where:
Base-Base interactions energy: -184.808
where: short stacking energy: -72.154
Base-Backbone interact. energy: -0.043
local terms energy: -81.280992
where:
bonds (distance) C4'-P energy: -14.549
bonds (distance) P-C4' energy: -17.631
flat angles C4'-P-C4' energy: -15.061
flat angles P-C4'-P energy: -13.280
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: 6, replica: 6
=====================================
Write number: 178
Temperature: 1.150000
Total energy: -270.059970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.059970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.059970 (E_RNA)
where:
Base-Base interactions energy: -185.332
where: short stacking energy: -79.324
Base-Backbone interact. energy: -0.039
local terms energy: -84.688957
where:
bonds (distance) C4'-P energy: -14.343
bonds (distance) P-C4' energy: -13.617
flat angles C4'-P-C4' energy: -19.770
flat angles P-C4'-P energy: -14.062
tors. eta vs tors. theta energy: -22.897
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: 4
=====================================
Write number: 178
Temperature: 1.200000
Total energy: -254.252693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.252693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.252693 (E_RNA)
where:
Base-Base interactions energy: -174.815
where: short stacking energy: -59.766
Base-Backbone interact. energy: -0.241
local terms energy: -79.196112
where:
bonds (distance) C4'-P energy: -18.222
bonds (distance) P-C4' energy: -11.114
flat angles C4'-P-C4' energy: -17.000
flat angles P-C4'-P energy: -12.641
tors. eta vs tors. theta energy: -20.219
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 178
Temperature: 1.250000
Total energy: -219.064198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.064198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.064198 (E_RNA)
where:
Base-Base interactions energy: -152.662
where: short stacking energy: -59.494
Base-Backbone interact. energy: -0.272
local terms energy: -66.130307
where:
bonds (distance) C4'-P energy: -7.829
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -16.667
flat angles P-C4'-P energy: -9.755
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: 9, replica: 8
=====================================
Write number: 178
Temperature: 1.300000
Total energy: -143.001772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.001772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.001772 (E_RNA)
where:
Base-Base interactions energy: -94.992
where: short stacking energy: -31.163
Base-Backbone interact. energy: 1.367
local terms energy: -49.376324
where:
bonds (distance) C4'-P energy: -12.727
bonds (distance) P-C4' energy: -18.621
flat angles C4'-P-C4' energy: -11.423
flat angles P-C4'-P energy: -3.151
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: 10, replica: 1
=====================================
Write number: 178
Temperature: 1.350000
Total energy: -81.563664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.563664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.563664 (E_RNA)
where:
Base-Base interactions energy: -21.367
where: short stacking energy: -21.367
Base-Backbone interact. energy: -0.002
local terms energy: -60.194501
where:
bonds (distance) C4'-P energy: -16.113
bonds (distance) P-C4' energy: -17.673
flat angles C4'-P-C4' energy: -16.396
flat angles P-C4'-P energy: -9.373
tors. eta vs tors. theta energy: -0.639
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: 7
=====================================
Write number: 179
Temperature: 0.900000
Total energy: -275.362105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.362105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.362105 (E_RNA)
where:
Base-Base interactions energy: -194.813
where: short stacking energy: -79.325
Base-Backbone interact. energy: -0.899
local terms energy: -79.649953
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -14.085
flat angles C4'-P-C4' energy: -19.724
flat angles P-C4'-P energy: -13.586
tors. eta vs tors. theta energy: -18.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 179
Temperature: 0.950000
Total energy: -274.841245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.841245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.841245 (E_RNA)
where:
Base-Base interactions energy: -195.604
where: short stacking energy: -75.754
Base-Backbone interact. energy: -0.419
local terms energy: -78.818099
where:
bonds (distance) C4'-P energy: -16.507
bonds (distance) P-C4' energy: -15.113
flat angles C4'-P-C4' energy: -14.866
flat angles P-C4'-P energy: -12.325
tors. eta vs tors. theta energy: -20.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 179
Temperature: 1.000000
Total energy: -279.780975 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.780975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.780975 (E_RNA)
where:
Base-Base interactions energy: -192.060
where: short stacking energy: -76.962
Base-Backbone interact. energy: -1.087
local terms energy: -86.633693
where:
bonds (distance) C4'-P energy: -14.818
bonds (distance) P-C4' energy: -18.521
flat angles C4'-P-C4' energy: -15.459
flat angles P-C4'-P energy: -12.943
tors. eta vs tors. theta energy: -24.893
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 179
Temperature: 1.050000
Total energy: -273.004835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.004835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.004835 (E_RNA)
where:
Base-Base interactions energy: -192.830
where: short stacking energy: -76.046
Base-Backbone interact. energy: 0.789
local terms energy: -80.963610
where:
bonds (distance) C4'-P energy: -12.996
bonds (distance) P-C4' energy: -16.013
flat angles C4'-P-C4' energy: -16.146
flat angles P-C4'-P energy: -13.101
tors. eta vs tors. theta energy: -22.708
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: 179
Temperature: 1.100000
Total energy: -268.511328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.511328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.511328 (E_RNA)
where:
Base-Base interactions energy: -187.627
where: short stacking energy: -83.106
Base-Backbone interact. energy: -0.413
local terms energy: -80.471090
where:
bonds (distance) C4'-P energy: -15.558
bonds (distance) P-C4' energy: -13.228
flat angles C4'-P-C4' energy: -16.759
flat angles P-C4'-P energy: -9.158
tors. eta vs tors. theta energy: -25.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 179
Temperature: 1.150000
Total energy: -251.510790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.510790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.510790 (E_RNA)
where:
Base-Base interactions energy: -168.984
where: short stacking energy: -69.855
Base-Backbone interact. energy: -0.097
local terms energy: -82.429256
where:
bonds (distance) C4'-P energy: -15.448
bonds (distance) P-C4' energy: -15.436
flat angles C4'-P-C4' energy: -19.138
flat angles P-C4'-P energy: -12.574
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: 7, replica: 6
=====================================
Write number: 179
Temperature: 1.200000
Total energy: -272.014397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.014397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.014397 (E_RNA)
where:
Base-Base interactions energy: -186.136
where: short stacking energy: -81.670
Base-Backbone interact. energy: -0.027
local terms energy: -85.851471
where:
bonds (distance) C4'-P energy: -14.081
bonds (distance) P-C4' energy: -19.520
flat angles C4'-P-C4' energy: -15.959
flat angles P-C4'-P energy: -12.441
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: 8, replica: 9
=====================================
Write number: 179
Temperature: 1.250000
Total energy: -165.563413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.563413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.563413 (E_RNA)
where:
Base-Base interactions energy: -95.588
where: short stacking energy: -45.493
Base-Backbone interact. energy: -0.366
local terms energy: -69.610155
where:
bonds (distance) C4'-P energy: -19.553
bonds (distance) P-C4' energy: -15.672
flat angles C4'-P-C4' energy: -14.256
flat angles P-C4'-P energy: -12.373
tors. eta vs tors. theta energy: -7.757
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: 8
=====================================
Write number: 179
Temperature: 1.300000
Total energy: -92.964693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.964693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.964693 (E_RNA)
where:
Base-Base interactions energy: -45.989
where: short stacking energy: -30.358
Base-Backbone interact. energy: -0.101
local terms energy: -46.875183
where:
bonds (distance) C4'-P energy: -13.923
bonds (distance) P-C4' energy: -13.697
flat angles C4'-P-C4' energy: -11.254
flat angles P-C4'-P energy: -8.783
tors. eta vs tors. theta energy: 0.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 179
Temperature: 1.350000
Total energy: -85.182696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.182696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.182696 (E_RNA)
where:
Base-Base interactions energy: -28.055
where: short stacking energy: -25.252
Base-Backbone interact. energy: -0.285
local terms energy: -56.842511
where:
bonds (distance) C4'-P energy: -11.295
bonds (distance) P-C4' energy: -21.339
flat angles C4'-P-C4' energy: -13.687
flat angles P-C4'-P energy: -8.741
tors. eta vs tors. theta energy: -1.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 180
Temperature: 0.900000
Total energy: -275.439151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.439151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.439151 (E_RNA)
where:
Base-Base interactions energy: -194.275
where: short stacking energy: -76.603
Base-Backbone interact. energy: -0.003
local terms energy: -81.161442
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -18.918
flat angles C4'-P-C4' energy: -15.636
flat angles P-C4'-P energy: -6.924
tors. eta vs tors. theta energy: -24.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 180
Temperature: 0.950000
Total energy: -283.292979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.292979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.292979 (E_RNA)
where:
Base-Base interactions energy: -186.032
where: short stacking energy: -76.609
Base-Backbone interact. energy: -0.272
local terms energy: -96.988399
where:
bonds (distance) C4'-P energy: -20.342
bonds (distance) P-C4' energy: -19.413
flat angles C4'-P-C4' energy: -21.067
flat angles P-C4'-P energy: -15.110
tors. eta vs tors. theta energy: -21.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 180
Temperature: 1.000000
Total energy: -288.745175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.745175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.745175 (E_RNA)
where:
Base-Base interactions energy: -196.499
where: short stacking energy: -76.124
Base-Backbone interact. energy: -2.252
local terms energy: -89.994204
where:
bonds (distance) C4'-P energy: -17.160
bonds (distance) P-C4' energy: -19.458
flat angles C4'-P-C4' energy: -14.987
flat angles P-C4'-P energy: -12.980
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: 4, replica: 5
=====================================
Write number: 180
Temperature: 1.050000
Total energy: -279.795144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.795144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.795144 (E_RNA)
where:
Base-Base interactions energy: -187.125
where: short stacking energy: -79.827
Base-Backbone interact. energy: -0.093
local terms energy: -92.577987
where:
bonds (distance) C4'-P energy: -19.331
bonds (distance) P-C4' energy: -20.792
flat angles C4'-P-C4' energy: -17.328
flat angles P-C4'-P energy: -13.727
tors. eta vs tors. theta energy: -21.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 180
Temperature: 1.100000
Total energy: -258.216490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.216490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.216490 (E_RNA)
where:
Base-Base interactions energy: -175.884
where: short stacking energy: -62.097
Base-Backbone interact. energy: -0.213
local terms energy: -82.119662
where:
bonds (distance) C4'-P energy: -14.703
bonds (distance) P-C4' energy: -20.857
flat angles C4'-P-C4' energy: -13.988
flat angles P-C4'-P energy: -7.305
tors. eta vs tors. theta energy: -25.267
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: 3
=====================================
Write number: 180
Temperature: 1.150000
Total energy: -254.768179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.768179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.768179 (E_RNA)
where:
Base-Base interactions energy: -175.371
where: short stacking energy: -72.016
Base-Backbone interact. energy: 0.362
local terms energy: -79.758587
where:
bonds (distance) C4'-P energy: -16.955
bonds (distance) P-C4' energy: -14.684
flat angles C4'-P-C4' energy: -16.199
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -21.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 180
Temperature: 1.200000
Total energy: -260.407256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.407256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.407256 (E_RNA)
where:
Base-Base interactions energy: -179.577
where: short stacking energy: -67.744
Base-Backbone interact. energy: -0.654
local terms energy: -80.176446
where:
bonds (distance) C4'-P energy: -15.972
bonds (distance) P-C4' energy: -15.548
flat angles C4'-P-C4' energy: -16.403
flat angles P-C4'-P energy: -11.380
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: 8, replica: 9
=====================================
Write number: 180
Temperature: 1.250000
Total energy: -170.583936 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.583936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.583936 (E_RNA)
where:
Base-Base interactions energy: -94.717
where: short stacking energy: -35.360
Base-Backbone interact. energy: -0.067
local terms energy: -75.799189
where:
bonds (distance) C4'-P energy: -17.128
bonds (distance) P-C4' energy: -19.026
flat angles C4'-P-C4' energy: -17.751
flat angles P-C4'-P energy: -10.550
tors. eta vs tors. theta energy: -11.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 180
Temperature: 1.300000
Total energy: -105.374679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.374679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.374679 (E_RNA)
where:
Base-Base interactions energy: -53.328
where: short stacking energy: -32.068
Base-Backbone interact. energy: 1.822
local terms energy: -53.868012
where:
bonds (distance) C4'-P energy: -12.272
bonds (distance) P-C4' energy: -18.363
flat angles C4'-P-C4' energy: -12.804
flat angles P-C4'-P energy: -8.235
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: 10, replica: 8
=====================================
Write number: 180
Temperature: 1.350000
Total energy: -88.162162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.162162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.162162 (E_RNA)
where:
Base-Base interactions energy: -32.611
where: short stacking energy: -27.989
Base-Backbone interact. energy: -0.207
local terms energy: -55.344278
where:
bonds (distance) C4'-P energy: -14.024
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -13.731
flat angles P-C4'-P energy: -10.417
tors. eta vs tors. theta energy: -1.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 181
Temperature: 0.900000
Total energy: -289.656232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.656232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.656232 (E_RNA)
where:
Base-Base interactions energy: -198.624
where: short stacking energy: -76.907
Base-Backbone interact. energy: -0.200
local terms energy: -90.832271
where:
bonds (distance) C4'-P energy: -9.842
bonds (distance) P-C4' energy: -21.980
flat angles C4'-P-C4' energy: -19.802
flat angles P-C4'-P energy: -12.250
tors. eta vs tors. theta energy: -26.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 181
Temperature: 0.950000
Total energy: -280.546022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.546022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.546022 (E_RNA)
where:
Base-Base interactions energy: -190.508
where: short stacking energy: -68.645
Base-Backbone interact. energy: -1.349
local terms energy: -88.689275
where:
bonds (distance) C4'-P energy: -16.392
bonds (distance) P-C4' energy: -21.001
flat angles C4'-P-C4' energy: -14.730
flat angles P-C4'-P energy: -11.906
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: 7
=====================================
Write number: 181
Temperature: 1.000000
Total energy: -271.724161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.724161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.724161 (E_RNA)
where:
Base-Base interactions energy: -190.749
where: short stacking energy: -78.298
Base-Backbone interact. energy: -1.691
local terms energy: -79.283601
where:
bonds (distance) C4'-P energy: -14.046
bonds (distance) P-C4' energy: -17.361
flat angles C4'-P-C4' energy: -17.854
flat angles P-C4'-P energy: -8.002
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: 4, replica: 4
=====================================
Write number: 181
Temperature: 1.050000
Total energy: -289.534701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.534701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.534701 (E_RNA)
where:
Base-Base interactions energy: -200.373
where: short stacking energy: -76.170
Base-Backbone interact. energy: -0.925
local terms energy: -88.236671
where:
bonds (distance) C4'-P energy: -16.640
bonds (distance) P-C4' energy: -18.146
flat angles C4'-P-C4' energy: -16.083
flat angles P-C4'-P energy: -13.818
tors. eta vs tors. theta energy: -23.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 181
Temperature: 1.100000
Total energy: -263.743489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.743489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.743489 (E_RNA)
where:
Base-Base interactions energy: -182.244
where: short stacking energy: -79.667
Base-Backbone interact. energy: -0.973
local terms energy: -80.526775
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -13.800
flat angles C4'-P-C4' energy: -17.704
flat angles P-C4'-P energy: -13.106
tors. eta vs tors. theta energy: -22.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 181
Temperature: 1.150000
Total energy: -257.628685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.628685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.628685 (E_RNA)
where:
Base-Base interactions energy: -174.993
where: short stacking energy: -64.789
Base-Backbone interact. energy: -0.362
local terms energy: -82.274117
where:
bonds (distance) C4'-P energy: -18.046
bonds (distance) P-C4' energy: -17.299
flat angles C4'-P-C4' energy: -16.360
flat angles P-C4'-P energy: -12.611
tors. eta vs tors. theta energy: -17.959
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: 3
=====================================
Write number: 181
Temperature: 1.200000
Total energy: -243.191268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.191268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.191268 (E_RNA)
where:
Base-Base interactions energy: -156.665
where: short stacking energy: -71.146
Base-Backbone interact. energy: -0.466
local terms energy: -86.060468
where:
bonds (distance) C4'-P energy: -16.693
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -18.814
flat angles P-C4'-P energy: -12.588
tors. eta vs tors. theta energy: -20.702
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: 9
=====================================
Write number: 181
Temperature: 1.250000
Total energy: -159.758207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.758207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.758207 (E_RNA)
where:
Base-Base interactions energy: -98.566
where: short stacking energy: -37.462
Base-Backbone interact. energy: -0.625
local terms energy: -60.566962
where:
bonds (distance) C4'-P energy: -13.418
bonds (distance) P-C4' energy: -15.156
flat angles C4'-P-C4' energy: -15.218
flat angles P-C4'-P energy: -7.013
tors. eta vs tors. theta energy: -9.763
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: 9, replica: 1
=====================================
Write number: 181
Temperature: 1.300000
Total energy: -96.649523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.649523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.649523 (E_RNA)
where:
Base-Base interactions energy: -42.870
where: short stacking energy: -26.335
Base-Backbone interact. energy: 0.376
local terms energy: -54.155664
where:
bonds (distance) C4'-P energy: -11.548
bonds (distance) P-C4' energy: -15.893
flat angles C4'-P-C4' energy: -17.913
flat angles P-C4'-P energy: -11.109
tors. eta vs tors. theta energy: 2.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 181
Temperature: 1.350000
Total energy: -87.493049 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.493049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.493049 (E_RNA)
where:
Base-Base interactions energy: -37.926
where: short stacking energy: -28.557
Base-Backbone interact. energy: 1.279
local terms energy: -50.846558
where:
bonds (distance) C4'-P energy: -15.360
bonds (distance) P-C4' energy: -11.446
flat angles C4'-P-C4' energy: -12.452
flat angles P-C4'-P energy: -14.527
tors. eta vs tors. theta energy: 2.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 182
Temperature: 0.900000
Total energy: -279.738305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.738305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.738305 (E_RNA)
where:
Base-Base interactions energy: -192.545
where: short stacking energy: -76.188
Base-Backbone interact. energy: -0.088
local terms energy: -87.105101
where:
bonds (distance) C4'-P energy: -16.080
bonds (distance) P-C4' energy: -16.704
flat angles C4'-P-C4' energy: -17.757
flat angles P-C4'-P energy: -13.326
tors. eta vs tors. theta energy: -23.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 182
Temperature: 0.950000
Total energy: -283.939059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.939059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.939059 (E_RNA)
where:
Base-Base interactions energy: -192.357
where: short stacking energy: -78.024
Base-Backbone interact. energy: -0.004
local terms energy: -91.578317
where:
bonds (distance) C4'-P energy: -19.492
bonds (distance) P-C4' energy: -19.517
flat angles C4'-P-C4' energy: -20.171
flat angles P-C4'-P energy: -7.765
tors. eta vs tors. theta energy: -24.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 182
Temperature: 1.000000
Total energy: -275.595631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.595631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.595631 (E_RNA)
where:
Base-Base interactions energy: -198.280
where: short stacking energy: -79.442
Base-Backbone interact. energy: -0.038
local terms energy: -77.277679
where:
bonds (distance) C4'-P energy: -10.651
bonds (distance) P-C4' energy: -15.793
flat angles C4'-P-C4' energy: -14.566
flat angles P-C4'-P energy: -10.983
tors. eta vs tors. theta energy: -25.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 182
Temperature: 1.050000
Total energy: -273.229836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.229836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.229836 (E_RNA)
where:
Base-Base interactions energy: -184.884
where: short stacking energy: -76.934
Base-Backbone interact. energy: -0.275
local terms energy: -88.070322
where:
bonds (distance) C4'-P energy: -15.947
bonds (distance) P-C4' energy: -19.961
flat angles C4'-P-C4' energy: -16.323
flat angles P-C4'-P energy: -9.710
tors. eta vs tors. theta energy: -26.129
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 182
Temperature: 1.100000
Total energy: -263.650558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.650558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.650558 (E_RNA)
where:
Base-Base interactions energy: -185.667
where: short stacking energy: -70.320
Base-Backbone interact. energy: -0.100
local terms energy: -77.883816
where:
bonds (distance) C4'-P energy: -11.611
bonds (distance) P-C4' energy: -18.875
flat angles C4'-P-C4' energy: -13.726
flat angles P-C4'-P energy: -11.803
tors. eta vs tors. theta energy: -21.869
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: 6, replica: 5
=====================================
Write number: 182
Temperature: 1.150000
Total energy: -263.728752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.728752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.728752 (E_RNA)
where:
Base-Base interactions energy: -182.606
where: short stacking energy: -68.542
Base-Backbone interact. energy: -0.490
local terms energy: -80.633048
where:
bonds (distance) C4'-P energy: -13.513
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -15.255
flat angles P-C4'-P energy: -13.600
tors. eta vs tors. theta energy: -20.104
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 182
Temperature: 1.200000
Total energy: -255.521881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.521881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.521881 (E_RNA)
where:
Base-Base interactions energy: -173.270
where: short stacking energy: -68.118
Base-Backbone interact. energy: -0.016
local terms energy: -82.236438
where:
bonds (distance) C4'-P energy: -18.436
bonds (distance) P-C4' energy: -14.132
flat angles C4'-P-C4' energy: -16.547
flat angles P-C4'-P energy: -13.549
tors. eta vs tors. theta energy: -19.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 182
Temperature: 1.250000
Total energy: -169.541246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.541246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.541246 (E_RNA)
where:
Base-Base interactions energy: -99.380
where: short stacking energy: -46.868
Base-Backbone interact. energy: -0.705
local terms energy: -69.456490
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -17.197
flat angles C4'-P-C4' energy: -13.997
flat angles P-C4'-P energy: -13.657
tors. eta vs tors. theta energy: -10.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 182
Temperature: 1.300000
Total energy: -91.767630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.767630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.767630 (E_RNA)
where:
Base-Base interactions energy: -34.068
where: short stacking energy: -32.400
Base-Backbone interact. energy: -1.042
local terms energy: -56.656896
where:
bonds (distance) C4'-P energy: -14.507
bonds (distance) P-C4' energy: -19.196
flat angles C4'-P-C4' energy: -13.203
flat angles P-C4'-P energy: -4.129
tors. eta vs tors. theta energy: -5.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 182
Temperature: 1.350000
Total energy: -136.315661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.315661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.315661 (E_RNA)
where:
Base-Base interactions energy: -79.655
where: short stacking energy: -39.238
Base-Backbone interact. energy: -0.158
local terms energy: -56.503119
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -2.435
tors. eta vs tors. theta energy: -5.586
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: 2
=====================================
Write number: 183
Temperature: 0.900000
Total energy: -287.540310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.540310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.540310 (E_RNA)
where:
Base-Base interactions energy: -198.726
where: short stacking energy: -86.445
Base-Backbone interact. energy: -0.013
local terms energy: -88.801767
where:
bonds (distance) C4'-P energy: -18.593
bonds (distance) P-C4' energy: -19.374
flat angles C4'-P-C4' energy: -15.761
flat angles P-C4'-P energy: -10.733
tors. eta vs tors. theta energy: -24.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 183
Temperature: 0.950000
Total energy: -281.521419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.521419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.521419 (E_RNA)
where:
Base-Base interactions energy: -191.368
where: short stacking energy: -80.460
Base-Backbone interact. energy: -0.050
local terms energy: -90.103660
where:
bonds (distance) C4'-P energy: -17.923
bonds (distance) P-C4' energy: -17.296
flat angles C4'-P-C4' energy: -19.343
flat angles P-C4'-P energy: -12.472
tors. eta vs tors. theta energy: -23.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 183
Temperature: 1.000000
Total energy: -272.722692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.722692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.722692 (E_RNA)
where:
Base-Base interactions energy: -187.507
where: short stacking energy: -81.426
Base-Backbone interact. energy: -0.019
local terms energy: -85.196727
where:
bonds (distance) C4'-P energy: -14.739
bonds (distance) P-C4' energy: -17.361
flat angles C4'-P-C4' energy: -16.763
flat angles P-C4'-P energy: -11.749
tors. eta vs tors. theta energy: -24.585
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: 7
=====================================
Write number: 183
Temperature: 1.050000
Total energy: -272.280413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.280413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.280413 (E_RNA)
where:
Base-Base interactions energy: -185.560
where: short stacking energy: -75.195
Base-Backbone interact. energy: -0.523
local terms energy: -86.197407
where:
bonds (distance) C4'-P energy: -17.310
bonds (distance) P-C4' energy: -19.090
flat angles C4'-P-C4' energy: -18.524
flat angles P-C4'-P energy: -11.547
tors. eta vs tors. theta energy: -19.726
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 183
Temperature: 1.100000
Total energy: -263.577327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.577327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.577327 (E_RNA)
where:
Base-Base interactions energy: -180.835
where: short stacking energy: -70.168
Base-Backbone interact. energy: -0.401
local terms energy: -82.341213
where:
bonds (distance) C4'-P energy: -18.155
bonds (distance) P-C4' energy: -16.276
flat angles C4'-P-C4' energy: -18.551
flat angles P-C4'-P energy: -5.668
tors. eta vs tors. theta energy: -23.692
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: 3
=====================================
Write number: 183
Temperature: 1.150000
Total energy: -251.552525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.552525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.552525 (E_RNA)
where:
Base-Base interactions energy: -173.734
where: short stacking energy: -58.016
Base-Backbone interact. energy: -1.109
local terms energy: -76.708916
where:
bonds (distance) C4'-P energy: -17.520
bonds (distance) P-C4' energy: -18.328
flat angles C4'-P-C4' energy: -16.665
flat angles P-C4'-P energy: -9.083
tors. eta vs tors. theta energy: -15.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 183
Temperature: 1.200000
Total energy: -270.440625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.440625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.440625 (E_RNA)
where:
Base-Base interactions energy: -182.970
where: short stacking energy: -78.249
Base-Backbone interact. energy: -0.078
local terms energy: -87.392650
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -19.006
flat angles C4'-P-C4' energy: -13.353
flat angles P-C4'-P energy: -12.642
tors. eta vs tors. theta energy: -26.464
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: 9
=====================================
Write number: 183
Temperature: 1.250000
Total energy: -158.277701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.277701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.277701 (E_RNA)
where:
Base-Base interactions energy: -99.336
where: short stacking energy: -46.449
Base-Backbone interact. energy: -1.407
local terms energy: -57.534660
where:
bonds (distance) C4'-P energy: -17.601
bonds (distance) P-C4' energy: -11.183
flat angles C4'-P-C4' energy: -13.418
flat angles P-C4'-P energy: -5.071
tors. eta vs tors. theta energy: -10.261
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: 183
Temperature: 1.300000
Total energy: -89.208488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.208488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.208488 (E_RNA)
where:
Base-Base interactions energy: -27.189
where: short stacking energy: -24.019
Base-Backbone interact. energy: -1.028
local terms energy: -60.992365
where:
bonds (distance) C4'-P energy: -16.412
bonds (distance) P-C4' energy: -17.743
flat angles C4'-P-C4' energy: -18.468
flat angles P-C4'-P energy: -9.224
tors. eta vs tors. theta energy: 0.855
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 183
Temperature: 1.350000
Total energy: -110.633956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.633956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.633956 (E_RNA)
where:
Base-Base interactions energy: -55.894
where: short stacking energy: -37.204
Base-Backbone interact. energy: 0.366
local terms energy: -55.106041
where:
bonds (distance) C4'-P energy: -18.875
bonds (distance) P-C4' energy: -4.928
flat angles C4'-P-C4' energy: -11.988
flat angles P-C4'-P energy: -13.378
tors. eta vs tors. theta energy: -5.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 184
Temperature: 0.900000
Total energy: -285.597054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.597054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.597054 (E_RNA)
where:
Base-Base interactions energy: -195.977
where: short stacking energy: -78.808
Base-Backbone interact. energy: -0.200
local terms energy: -89.419551
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -17.336
flat angles C4'-P-C4' energy: -20.699
flat angles P-C4'-P energy: -10.767
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: 2, replica: 2
=====================================
Write number: 184
Temperature: 0.950000
Total energy: -284.394047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.394047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.394047 (E_RNA)
where:
Base-Base interactions energy: -198.174
where: short stacking energy: -76.021
Base-Backbone interact. energy: 0.094
local terms energy: -86.314292
where:
bonds (distance) C4'-P energy: -13.344
bonds (distance) P-C4' energy: -18.703
flat angles C4'-P-C4' energy: -20.170
flat angles P-C4'-P energy: -11.730
tors. eta vs tors. theta energy: -22.368
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: 7
=====================================
Write number: 184
Temperature: 1.000000
Total energy: -279.776202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.776202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.776202 (E_RNA)
where:
Base-Base interactions energy: -196.775
where: short stacking energy: -79.790
Base-Backbone interact. energy: -0.050
local terms energy: -82.951477
where:
bonds (distance) C4'-P energy: -14.251
bonds (distance) P-C4' energy: -18.918
flat angles C4'-P-C4' energy: -18.031
flat angles P-C4'-P energy: -9.437
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: 4, replica: 10
=====================================
Write number: 184
Temperature: 1.050000
Total energy: -271.887432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.887432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.887432 (E_RNA)
where:
Base-Base interactions energy: -190.493
where: short stacking energy: -76.028
Base-Backbone interact. energy: -0.215
local terms energy: -81.179291
where:
bonds (distance) C4'-P energy: -15.264
bonds (distance) P-C4' energy: -14.174
flat angles C4'-P-C4' energy: -16.554
flat angles P-C4'-P energy: -14.081
tors. eta vs tors. theta energy: -21.106
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 184
Temperature: 1.100000
Total energy: -274.721137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.721137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.721137 (E_RNA)
where:
Base-Base interactions energy: -182.464
where: short stacking energy: -79.803
Base-Backbone interact. energy: -0.895
local terms energy: -91.361708
where:
bonds (distance) C4'-P energy: -15.764
bonds (distance) P-C4' energy: -17.640
flat angles C4'-P-C4' energy: -18.692
flat angles P-C4'-P energy: -13.976
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: 6
=====================================
Write number: 184
Temperature: 1.150000
Total energy: -255.597017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.597017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.597017 (E_RNA)
where:
Base-Base interactions energy: -174.392
where: short stacking energy: -70.998
Base-Backbone interact. energy: -0.427
local terms energy: -80.777451
where:
bonds (distance) C4'-P energy: -17.006
bonds (distance) P-C4' energy: -16.054
flat angles C4'-P-C4' energy: -18.793
flat angles P-C4'-P energy: -8.771
tors. eta vs tors. theta energy: -20.153
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: 5
=====================================
Write number: 184
Temperature: 1.200000
Total energy: -249.451131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.451131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.451131 (E_RNA)
where:
Base-Base interactions energy: -172.522
where: short stacking energy: -65.643
Base-Backbone interact. energy: -1.116
local terms energy: -75.813540
where:
bonds (distance) C4'-P energy: -17.733
bonds (distance) P-C4' energy: -18.300
flat angles C4'-P-C4' energy: -9.785
flat angles P-C4'-P energy: -7.536
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: 8, replica: 9
=====================================
Write number: 184
Temperature: 1.250000
Total energy: -135.244795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.244795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.244795 (E_RNA)
where:
Base-Base interactions energy: -82.014
where: short stacking energy: -41.481
Base-Backbone interact. energy: -0.183
local terms energy: -53.047880
where:
bonds (distance) C4'-P energy: -15.203
bonds (distance) P-C4' energy: -11.705
flat angles C4'-P-C4' energy: -8.876
flat angles P-C4'-P energy: -8.613
tors. eta vs tors. theta energy: -8.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 184
Temperature: 1.300000
Total energy: -92.044742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.044742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.044742 (E_RNA)
where:
Base-Base interactions energy: -39.414
where: short stacking energy: -20.686
Base-Backbone interact. energy: 0.609
local terms energy: -53.239575
where:
bonds (distance) C4'-P energy: -17.227
bonds (distance) P-C4' energy: -11.151
flat angles C4'-P-C4' energy: -11.524
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -2.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 184
Temperature: 1.350000
Total energy: -85.695531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.695531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.695531 (E_RNA)
where:
Base-Base interactions energy: -32.223
where: short stacking energy: -32.112
Base-Backbone interact. energy: -0.204
local terms energy: -53.267832
where:
bonds (distance) C4'-P energy: -9.114
bonds (distance) P-C4' energy: -19.518
flat angles C4'-P-C4' energy: -17.393
flat angles P-C4'-P energy: -7.260
tors. eta vs tors. theta energy: 0.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 185
Temperature: 0.900000
Total energy: -283.424189 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.424189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.424189 (E_RNA)
where:
Base-Base interactions energy: -192.410
where: short stacking energy: -78.206
Base-Backbone interact. energy: -0.157
local terms energy: -90.857686
where:
bonds (distance) C4'-P energy: -15.084
bonds (distance) P-C4' energy: -19.951
flat angles C4'-P-C4' energy: -16.715
flat angles P-C4'-P energy: -14.810
tors. eta vs tors. theta energy: -24.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 185
Temperature: 0.950000
Total energy: -283.297460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.297460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.297460 (E_RNA)
where:
Base-Base interactions energy: -191.393
where: short stacking energy: -78.537
Base-Backbone interact. energy: -0.169
local terms energy: -91.735723
where:
bonds (distance) C4'-P energy: -18.700
bonds (distance) P-C4' energy: -18.802
flat angles C4'-P-C4' energy: -18.400
flat angles P-C4'-P energy: -15.287
tors. eta vs tors. theta energy: -20.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 185
Temperature: 1.000000
Total energy: -285.986977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.986977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.986977 (E_RNA)
where:
Base-Base interactions energy: -203.155
where: short stacking energy: -79.425
Base-Backbone interact. energy: -0.115
local terms energy: -82.716744
where:
bonds (distance) C4'-P energy: -14.774
bonds (distance) P-C4' energy: -18.343
flat angles C4'-P-C4' energy: -20.953
flat angles P-C4'-P energy: -8.191
tors. eta vs tors. theta energy: -20.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 185
Temperature: 1.050000
Total energy: -280.480508 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.480508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.480508 (E_RNA)
where:
Base-Base interactions energy: -192.317
where: short stacking energy: -82.065
Base-Backbone interact. energy: -0.912
local terms energy: -87.251931
where:
bonds (distance) C4'-P energy: -15.422
bonds (distance) P-C4' energy: -16.824
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -12.972
tors. eta vs tors. theta energy: -25.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 185
Temperature: 1.100000
Total energy: -260.671707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.671707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.671707 (E_RNA)
where:
Base-Base interactions energy: -176.170
where: short stacking energy: -81.598
Base-Backbone interact. energy: -0.024
local terms energy: -84.478162
where:
bonds (distance) C4'-P energy: -10.395
bonds (distance) P-C4' energy: -18.151
flat angles C4'-P-C4' energy: -20.759
flat angles P-C4'-P energy: -10.220
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: 5
=====================================
Write number: 185
Temperature: 1.150000
Total energy: -267.124240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.124240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.124240 (E_RNA)
where:
Base-Base interactions energy: -180.814
where: short stacking energy: -68.497
Base-Backbone interact. energy: -0.437
local terms energy: -85.873873
where:
bonds (distance) C4'-P energy: -19.256
bonds (distance) P-C4' energy: -14.925
flat angles C4'-P-C4' energy: -16.524
flat angles P-C4'-P energy: -12.640
tors. eta vs tors. theta energy: -22.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 185
Temperature: 1.200000
Total energy: -244.764227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.764227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.764227 (E_RNA)
where:
Base-Base interactions energy: -164.328
where: short stacking energy: -63.930
Base-Backbone interact. energy: -1.271
local terms energy: -79.164556
where:
bonds (distance) C4'-P energy: -15.972
bonds (distance) P-C4' energy: -14.439
flat angles C4'-P-C4' energy: -18.048
flat angles P-C4'-P energy: -9.937
tors. eta vs tors. theta energy: -20.768
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 185
Temperature: 1.250000
Total energy: -140.503608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.503608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.503608 (E_RNA)
where:
Base-Base interactions energy: -78.922
where: short stacking energy: -39.118
Base-Backbone interact. energy: 2.877
local terms energy: -64.458525
where:
bonds (distance) C4'-P energy: -14.507
bonds (distance) P-C4' energy: -18.605
flat angles C4'-P-C4' energy: -13.297
flat angles P-C4'-P energy: -8.711
tors. eta vs tors. theta energy: -9.339
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 185
Temperature: 1.300000
Total energy: -89.840968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.840968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.840968 (E_RNA)
where:
Base-Base interactions energy: -39.281
where: short stacking energy: -35.205
Base-Backbone interact. energy: -0.347
local terms energy: -50.212888
where:
bonds (distance) C4'-P energy: -10.757
bonds (distance) P-C4' energy: -19.535
flat angles C4'-P-C4' energy: -11.996
flat angles P-C4'-P energy: -6.201
tors. eta vs tors. theta energy: -1.723
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 185
Temperature: 1.350000
Total energy: -92.194204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.194204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.194204 (E_RNA)
where:
Base-Base interactions energy: -40.169
where: short stacking energy: -35.917
Base-Backbone interact. energy: -0.194
local terms energy: -51.831346
where:
bonds (distance) C4'-P energy: -12.102
bonds (distance) P-C4' energy: -12.763
flat angles C4'-P-C4' energy: -11.528
flat angles P-C4'-P energy: -8.891
tors. eta vs tors. theta energy: -6.547
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 186
Temperature: 0.900000
Total energy: -288.235044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.235044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.235044 (E_RNA)
where:
Base-Base interactions energy: -198.821
where: short stacking energy: -80.942
Base-Backbone interact. energy: -0.441
local terms energy: -88.972816
where:
bonds (distance) C4'-P energy: -16.904
bonds (distance) P-C4' energy: -18.247
flat angles C4'-P-C4' energy: -16.465
flat angles P-C4'-P energy: -14.837
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: 2, replica: 4
=====================================
Write number: 186
Temperature: 0.950000
Total energy: -271.301357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.301357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.301357 (E_RNA)
where:
Base-Base interactions energy: -184.995
where: short stacking energy: -77.715
Base-Backbone interact. energy: -0.136
local terms energy: -86.170018
where:
bonds (distance) C4'-P energy: -14.149
bonds (distance) P-C4' energy: -17.739
flat angles C4'-P-C4' energy: -20.914
flat angles P-C4'-P energy: -12.470
tors. eta vs tors. theta energy: -20.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 186
Temperature: 1.000000
Total energy: -276.744831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.744831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.744831 (E_RNA)
where:
Base-Base interactions energy: -191.097
where: short stacking energy: -78.797
Base-Backbone interact. energy: -0.011
local terms energy: -85.637351
where:
bonds (distance) C4'-P energy: -16.959
bonds (distance) P-C4' energy: -15.860
flat angles C4'-P-C4' energy: -19.719
flat angles P-C4'-P energy: -11.081
tors. eta vs tors. theta energy: -22.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 186
Temperature: 1.050000
Total energy: -277.834784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.834784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.834784 (E_RNA)
where:
Base-Base interactions energy: -187.793
where: short stacking energy: -79.423
Base-Backbone interact. energy: -0.165
local terms energy: -89.876789
where:
bonds (distance) C4'-P energy: -16.073
bonds (distance) P-C4' energy: -18.904
flat angles C4'-P-C4' energy: -18.522
flat angles P-C4'-P energy: -13.426
tors. eta vs tors. theta energy: -22.952
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 186
Temperature: 1.100000
Total energy: -265.072979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.072979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.072979 (E_RNA)
where:
Base-Base interactions energy: -175.441
where: short stacking energy: -73.796
Base-Backbone interact. energy: -1.903
local terms energy: -87.728370
where:
bonds (distance) C4'-P energy: -11.229
bonds (distance) P-C4' energy: -19.125
flat angles C4'-P-C4' energy: -18.786
flat angles P-C4'-P energy: -13.979
tors. eta vs tors. theta energy: -24.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 186
Temperature: 1.150000
Total energy: -268.258791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.258791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.258791 (E_RNA)
where:
Base-Base interactions energy: -185.693
where: short stacking energy: -65.351
Base-Backbone interact. energy: -1.058
local terms energy: -81.508448
where:
bonds (distance) C4'-P energy: -10.602
bonds (distance) P-C4' energy: -16.767
flat angles C4'-P-C4' energy: -18.899
flat angles P-C4'-P energy: -12.969
tors. eta vs tors. theta energy: -22.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 186
Temperature: 1.200000
Total energy: -187.813770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.813770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.813770 (E_RNA)
where:
Base-Base interactions energy: -129.178
where: short stacking energy: -43.702
Base-Backbone interact. energy: -0.777
local terms energy: -57.859100
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -13.335
flat angles C4'-P-C4' energy: -10.058
flat angles P-C4'-P energy: -11.769
tors. eta vs tors. theta energy: -8.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 186
Temperature: 1.250000
Total energy: -109.264461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.264461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.264461 (E_RNA)
where:
Base-Base interactions energy: -43.762
where: short stacking energy: -28.158
Base-Backbone interact. energy: -0.159
local terms energy: -65.343105
where:
bonds (distance) C4'-P energy: -19.079
bonds (distance) P-C4' energy: -16.962
flat angles C4'-P-C4' energy: -14.373
flat angles P-C4'-P energy: -14.727
tors. eta vs tors. theta energy: -0.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 186
Temperature: 1.300000
Total energy: -91.944855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.944855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.944855 (E_RNA)
where:
Base-Base interactions energy: -32.194
where: short stacking energy: -30.832
Base-Backbone interact. energy: 0.441
local terms energy: -60.191480
where:
bonds (distance) C4'-P energy: -17.740
bonds (distance) P-C4' energy: -15.945
flat angles C4'-P-C4' energy: -8.713
flat angles P-C4'-P energy: -10.066
tors. eta vs tors. theta energy: -7.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 186
Temperature: 1.350000
Total energy: -81.198183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.198183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.198183 (E_RNA)
where:
Base-Base interactions energy: -22.673
where: short stacking energy: -18.111
Base-Backbone interact. energy: 0.734
local terms energy: -59.259278
where:
bonds (distance) C4'-P energy: -17.105
bonds (distance) P-C4' energy: -19.690
flat angles C4'-P-C4' energy: -11.788
flat angles P-C4'-P energy: -9.657
tors. eta vs tors. theta energy: -1.019
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: 187
Temperature: 0.900000
Total energy: -290.402911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.402911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.402911 (E_RNA)
where:
Base-Base interactions energy: -190.821
where: short stacking energy: -79.154
Base-Backbone interact. energy: -0.002
local terms energy: -99.580408
where:
bonds (distance) C4'-P energy: -19.774
bonds (distance) P-C4' energy: -16.357
flat angles C4'-P-C4' energy: -21.956
flat angles P-C4'-P energy: -15.357
tors. eta vs tors. theta energy: -26.136
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 187
Temperature: 0.950000
Total energy: -284.375515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.375515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.375515 (E_RNA)
where:
Base-Base interactions energy: -194.544
where: short stacking energy: -77.371
Base-Backbone interact. energy: -0.370
local terms energy: -89.461810
where:
bonds (distance) C4'-P energy: -16.263
bonds (distance) P-C4' energy: -18.203
flat angles C4'-P-C4' energy: -17.207
flat angles P-C4'-P energy: -15.281
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: 187
Temperature: 1.000000
Total energy: -273.616957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.616957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.616957 (E_RNA)
where:
Base-Base interactions energy: -193.042
where: short stacking energy: -76.682
Base-Backbone interact. energy: -0.118
local terms energy: -80.456449
where:
bonds (distance) C4'-P energy: -16.416
bonds (distance) P-C4' energy: -19.584
flat angles C4'-P-C4' energy: -17.234
flat angles P-C4'-P energy: -8.167
tors. eta vs tors. theta energy: -19.056
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: 10
=====================================
Write number: 187
Temperature: 1.050000
Total energy: -270.340672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.340672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.340672 (E_RNA)
where:
Base-Base interactions energy: -194.543
where: short stacking energy: -76.414
Base-Backbone interact. energy: -0.182
local terms energy: -75.616019
where:
bonds (distance) C4'-P energy: -12.724
bonds (distance) P-C4' energy: -16.104
flat angles C4'-P-C4' energy: -17.826
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: -18.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 187
Temperature: 1.100000
Total energy: -276.093343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.093343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.093343 (E_RNA)
where:
Base-Base interactions energy: -179.337
where: short stacking energy: -77.394
Base-Backbone interact. energy: -0.002
local terms energy: -96.754418
where:
bonds (distance) C4'-P energy: -20.890
bonds (distance) P-C4' energy: -18.381
flat angles C4'-P-C4' energy: -16.663
flat angles P-C4'-P energy: -13.837
tors. eta vs tors. theta energy: -26.984
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 187
Temperature: 1.150000
Total energy: -261.094949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.094949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.094949 (E_RNA)
where:
Base-Base interactions energy: -183.793
where: short stacking energy: -71.536
Base-Backbone interact. energy: -0.127
local terms energy: -77.174859
where:
bonds (distance) C4'-P energy: -14.502
bonds (distance) P-C4' energy: -18.194
flat angles C4'-P-C4' energy: -15.693
flat angles P-C4'-P energy: -9.994
tors. eta vs tors. theta energy: -18.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 187
Temperature: 1.200000
Total energy: -197.794140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.794140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.794140 (E_RNA)
where:
Base-Base interactions energy: -121.101
where: short stacking energy: -54.380
Base-Backbone interact. energy: -0.846
local terms energy: -75.847367
where:
bonds (distance) C4'-P energy: -13.211
bonds (distance) P-C4' energy: -15.461
flat angles C4'-P-C4' energy: -20.080
flat angles P-C4'-P energy: -11.778
tors. eta vs tors. theta energy: -15.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 187
Temperature: 1.250000
Total energy: -91.949107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.949107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.949107 (E_RNA)
where:
Base-Base interactions energy: -25.493
where: short stacking energy: -23.706
Base-Backbone interact. energy: -0.203
local terms energy: -66.252924
where:
bonds (distance) C4'-P energy: -20.474
bonds (distance) P-C4' energy: -19.567
flat angles C4'-P-C4' energy: -14.250
flat angles P-C4'-P energy: -11.212
tors. eta vs tors. theta energy: -0.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 187
Temperature: 1.300000
Total energy: -101.880036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.880036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.880036 (E_RNA)
where:
Base-Base interactions energy: -49.860
where: short stacking energy: -26.609
Base-Backbone interact. energy: -0.340
local terms energy: -51.680299
where:
bonds (distance) C4'-P energy: -13.541
bonds (distance) P-C4' energy: -8.451
flat angles C4'-P-C4' energy: -15.130
flat angles P-C4'-P energy: -8.977
tors. eta vs tors. theta energy: -5.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 187
Temperature: 1.350000
Total energy: -84.850056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.850056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.850056 (E_RNA)
where:
Base-Base interactions energy: -33.633
where: short stacking energy: -29.218
Base-Backbone interact. energy: -0.220
local terms energy: -50.997410
where:
bonds (distance) C4'-P energy: -11.248
bonds (distance) P-C4' energy: -8.589
flat angles C4'-P-C4' energy: -13.493
flat angles P-C4'-P energy: -9.333
tors. eta vs tors. theta energy: -8.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 188
Temperature: 0.900000
Total energy: -287.015544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.015544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.015544 (E_RNA)
where:
Base-Base interactions energy: -197.816
where: short stacking energy: -73.639
Base-Backbone interact. energy: -0.727
local terms energy: -88.472540
where:
bonds (distance) C4'-P energy: -20.080
bonds (distance) P-C4' energy: -16.290
flat angles C4'-P-C4' energy: -21.056
flat angles P-C4'-P energy: -13.081
tors. eta vs tors. theta energy: -17.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 188
Temperature: 0.950000
Total energy: -287.725356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.725356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.725356 (E_RNA)
where:
Base-Base interactions energy: -193.681
where: short stacking energy: -82.654
Base-Backbone interact. energy: -1.251
local terms energy: -92.793809
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -19.097
flat angles C4'-P-C4' energy: -20.275
flat angles P-C4'-P energy: -12.457
tors. eta vs tors. theta energy: -24.188
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: 10
=====================================
Write number: 188
Temperature: 1.000000
Total energy: -272.975760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.975760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.975760 (E_RNA)
where:
Base-Base interactions energy: -188.655
where: short stacking energy: -74.444
Base-Backbone interact. energy: -0.992
local terms energy: -83.329533
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -17.244
flat angles C4'-P-C4' energy: -14.455
flat angles P-C4'-P energy: -13.728
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: 4
=====================================
Write number: 188
Temperature: 1.050000
Total energy: -265.723735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.723735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.723735 (E_RNA)
where:
Base-Base interactions energy: -184.199
where: short stacking energy: -82.088
Base-Backbone interact. energy: -0.087
local terms energy: -81.437876
where:
bonds (distance) C4'-P energy: -13.571
bonds (distance) P-C4' energy: -14.658
flat angles C4'-P-C4' energy: -16.598
flat angles P-C4'-P energy: -10.850
tors. eta vs tors. theta energy: -25.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 188
Temperature: 1.100000
Total energy: -267.321462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.321462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.321462 (E_RNA)
where:
Base-Base interactions energy: -182.925
where: short stacking energy: -73.452
Base-Backbone interact. energy: -1.807
local terms energy: -82.590177
where:
bonds (distance) C4'-P energy: -15.579
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -17.476
flat angles P-C4'-P energy: -11.403
tors. eta vs tors. theta energy: -21.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 188
Temperature: 1.150000
Total energy: -264.103475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.103475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.103475 (E_RNA)
where:
Base-Base interactions energy: -188.893
where: short stacking energy: -67.722
Base-Backbone interact. energy: 2.886
local terms energy: -78.096562
where:
bonds (distance) C4'-P energy: -15.691
bonds (distance) P-C4' energy: -17.215
flat angles C4'-P-C4' energy: -13.501
flat angles P-C4'-P energy: -11.262
tors. eta vs tors. theta energy: -20.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 188
Temperature: 1.200000
Total energy: -177.385236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.385236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.385236 (E_RNA)
where:
Base-Base interactions energy: -112.660
where: short stacking energy: -63.506
Base-Backbone interact. energy: -0.121
local terms energy: -64.603886
where:
bonds (distance) C4'-P energy: -14.590
bonds (distance) P-C4' energy: -15.921
flat angles C4'-P-C4' energy: -14.463
flat angles P-C4'-P energy: -6.378
tors. eta vs tors. theta energy: -13.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 188
Temperature: 1.250000
Total energy: -87.445475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.445475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.445475 (E_RNA)
where:
Base-Base interactions energy: -33.272
where: short stacking energy: -23.201
Base-Backbone interact. energy: 2.046
local terms energy: -56.219589
where:
bonds (distance) C4'-P energy: -17.646
bonds (distance) P-C4' energy: -10.243
flat angles C4'-P-C4' energy: -13.767
flat angles P-C4'-P energy: -11.197
tors. eta vs tors. theta energy: -3.367
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 188
Temperature: 1.300000
Total energy: -90.458755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.458755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.458755 (E_RNA)
where:
Base-Base interactions energy: -33.210
where: short stacking energy: -31.457
Base-Backbone interact. energy: -0.649
local terms energy: -56.600371
where:
bonds (distance) C4'-P energy: -13.286
bonds (distance) P-C4' energy: -16.143
flat angles C4'-P-C4' energy: -15.826
flat angles P-C4'-P energy: -8.032
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: 10, replica: 8
=====================================
Write number: 188
Temperature: 1.350000
Total energy: -91.041950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.041950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.041950 (E_RNA)
where:
Base-Base interactions energy: -40.090
where: short stacking energy: -19.841
Base-Backbone interact. energy: -0.347
local terms energy: -50.604710
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -19.091
flat angles C4'-P-C4' energy: -14.292
flat angles P-C4'-P energy: -9.570
tors. eta vs tors. theta energy: 7.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 189
Temperature: 0.900000
Total energy: -283.533204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.533204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.533204 (E_RNA)
where:
Base-Base interactions energy: -191.679
where: short stacking energy: -80.799
Base-Backbone interact. energy: -0.653
local terms energy: -91.201089
where:
bonds (distance) C4'-P energy: -17.267
bonds (distance) P-C4' energy: -20.122
flat angles C4'-P-C4' energy: -19.754
flat angles P-C4'-P energy: -12.608
tors. eta vs tors. theta energy: -21.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 189
Temperature: 0.950000
Total energy: -283.537100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.537100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.537100 (E_RNA)
where:
Base-Base interactions energy: -192.013
where: short stacking energy: -70.074
Base-Backbone interact. energy: -1.258
local terms energy: -90.265721
where:
bonds (distance) C4'-P energy: -14.444
bonds (distance) P-C4' energy: -18.502
flat angles C4'-P-C4' energy: -17.982
flat angles P-C4'-P energy: -15.119
tors. eta vs tors. theta energy: -24.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 189
Temperature: 1.000000
Total energy: -284.303005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.303005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.303005 (E_RNA)
where:
Base-Base interactions energy: -192.989
where: short stacking energy: -82.552
Base-Backbone interact. energy: -0.987
local terms energy: -90.326594
where:
bonds (distance) C4'-P energy: -20.766
bonds (distance) P-C4' energy: -16.720
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -10.541
tors. eta vs tors. theta energy: -25.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 189
Temperature: 1.050000
Total energy: -284.329381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.329381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.329381 (E_RNA)
where:
Base-Base interactions energy: -194.150
where: short stacking energy: -82.725
Base-Backbone interact. energy: -0.091
local terms energy: -90.087805
where:
bonds (distance) C4'-P energy: -14.739
bonds (distance) P-C4' energy: -18.228
flat angles C4'-P-C4' energy: -18.878
flat angles P-C4'-P energy: -13.155
tors. eta vs tors. theta energy: -25.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 189
Temperature: 1.100000
Total energy: -244.974889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.974889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.974889 (E_RNA)
where:
Base-Base interactions energy: -170.976
where: short stacking energy: -70.902
Base-Backbone interact. energy: -0.353
local terms energy: -73.645408
where:
bonds (distance) C4'-P energy: -12.520
bonds (distance) P-C4' energy: -17.167
flat angles C4'-P-C4' energy: -12.912
flat angles P-C4'-P energy: -12.759
tors. eta vs tors. theta energy: -18.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 189
Temperature: 1.150000
Total energy: -263.570003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.570003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.570003 (E_RNA)
where:
Base-Base interactions energy: -184.414
where: short stacking energy: -69.251
Base-Backbone interact. energy: -0.051
local terms energy: -79.104315
where:
bonds (distance) C4'-P energy: -13.105
bonds (distance) P-C4' energy: -16.134
flat angles C4'-P-C4' energy: -18.451
flat angles P-C4'-P energy: -11.706
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: 7, replica: 6
=====================================
Write number: 189
Temperature: 1.200000
Total energy: -185.784428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.784428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.784428 (E_RNA)
where:
Base-Base interactions energy: -124.106
where: short stacking energy: -54.984
Base-Backbone interact. energy: -0.214
local terms energy: -61.464247
where:
bonds (distance) C4'-P energy: -11.382
bonds (distance) P-C4' energy: -8.908
flat angles C4'-P-C4' energy: -15.758
flat angles P-C4'-P energy: -10.744
tors. eta vs tors. theta energy: -14.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 189
Temperature: 1.250000
Total energy: -102.059751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.059751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.059751 (E_RNA)
where:
Base-Base interactions energy: -48.876
where: short stacking energy: -22.181
Base-Backbone interact. energy: -0.665
local terms energy: -52.518970
where:
bonds (distance) C4'-P energy: -16.892
bonds (distance) P-C4' energy: -12.712
flat angles C4'-P-C4' energy: -16.452
flat angles P-C4'-P energy: -7.583
tors. eta vs tors. theta energy: 1.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 189
Temperature: 1.300000
Total energy: -90.982813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.982813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.982813 (E_RNA)
where:
Base-Base interactions energy: -30.753
where: short stacking energy: -26.931
Base-Backbone interact. energy: -0.402
local terms energy: -59.827626
where:
bonds (distance) C4'-P energy: -16.230
bonds (distance) P-C4' energy: -19.151
flat angles C4'-P-C4' energy: -17.271
flat angles P-C4'-P energy: -8.154
tors. eta vs tors. theta energy: 0.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 189
Temperature: 1.350000
Total energy: -81.409773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.409773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.409773 (E_RNA)
where:
Base-Base interactions energy: -32.118
where: short stacking energy: -20.868
Base-Backbone interact. energy: 3.701
local terms energy: -52.992516
where:
bonds (distance) C4'-P energy: -17.100
bonds (distance) P-C4' energy: -12.241
flat angles C4'-P-C4' energy: -12.086
flat angles P-C4'-P energy: -8.806
tors. eta vs tors. theta energy: -2.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 190
Temperature: 0.900000
Total energy: -284.436211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.436211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.436211 (E_RNA)
where:
Base-Base interactions energy: -192.683
where: short stacking energy: -76.097
Base-Backbone interact. energy: -0.251
local terms energy: -91.502844
where:
bonds (distance) C4'-P energy: -19.212
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -17.956
flat angles P-C4'-P energy: -12.148
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: 2, replica: 2
=====================================
Write number: 190
Temperature: 0.950000
Total energy: -287.340642 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.340642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.340642 (E_RNA)
where:
Base-Base interactions energy: -196.496
where: short stacking energy: -74.274
Base-Backbone interact. energy: -0.709
local terms energy: -90.136346
where:
bonds (distance) C4'-P energy: -18.230
bonds (distance) P-C4' energy: -16.822
flat angles C4'-P-C4' energy: -20.017
flat angles P-C4'-P energy: -12.695
tors. eta vs tors. theta energy: -22.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 190
Temperature: 1.000000
Total energy: -282.867952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.867952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.867952 (E_RNA)
where:
Base-Base interactions energy: -192.626
where: short stacking energy: -70.249
Base-Backbone interact. energy: -0.110
local terms energy: -90.131891
where:
bonds (distance) C4'-P energy: -19.285
bonds (distance) P-C4' energy: -16.674
flat angles C4'-P-C4' energy: -19.628
flat angles P-C4'-P energy: -13.826
tors. eta vs tors. theta energy: -20.719
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 190
Temperature: 1.050000
Total energy: -277.644420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.644420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.644420 (E_RNA)
where:
Base-Base interactions energy: -188.226
where: short stacking energy: -77.405
Base-Backbone interact. energy: 0.521
local terms energy: -89.939378
where:
bonds (distance) C4'-P energy: -18.466
bonds (distance) P-C4' energy: -15.784
flat angles C4'-P-C4' energy: -18.881
flat angles P-C4'-P energy: -11.809
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: 5, replica: 5
=====================================
Write number: 190
Temperature: 1.100000
Total energy: -265.055457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.055457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.055457 (E_RNA)
where:
Base-Base interactions energy: -174.971
where: short stacking energy: -76.297
Base-Backbone interact. energy: -1.036
local terms energy: -89.047517
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -19.419
flat angles P-C4'-P energy: -12.517
tors. eta vs tors. theta energy: -25.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 190
Temperature: 1.150000
Total energy: -259.934533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.934533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.934533 (E_RNA)
where:
Base-Base interactions energy: -175.220
where: short stacking energy: -63.729
Base-Backbone interact. energy: -0.216
local terms energy: -84.498595
where:
bonds (distance) C4'-P energy: -19.707
bonds (distance) P-C4' energy: -15.205
flat angles C4'-P-C4' energy: -19.164
flat angles P-C4'-P energy: -9.925
tors. eta vs tors. theta energy: -20.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 190
Temperature: 1.200000
Total energy: -181.317543 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.317543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.317543 (E_RNA)
where:
Base-Base interactions energy: -117.993
where: short stacking energy: -56.356
Base-Backbone interact. energy: -0.096
local terms energy: -63.229065
where:
bonds (distance) C4'-P energy: -17.903
bonds (distance) P-C4' energy: -13.016
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -12.144
tors. eta vs tors. theta energy: -3.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 190
Temperature: 1.250000
Total energy: -136.930696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.930696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.930696 (E_RNA)
where:
Base-Base interactions energy: -72.983
where: short stacking energy: -37.120
Base-Backbone interact. energy: -0.271
local terms energy: -63.676349
where:
bonds (distance) C4'-P energy: -16.122
bonds (distance) P-C4' energy: -15.335
flat angles C4'-P-C4' energy: -14.636
flat angles P-C4'-P energy: -8.503
tors. eta vs tors. theta energy: -9.080
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: 8
=====================================
Write number: 190
Temperature: 1.300000
Total energy: -105.202828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.202828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.202828 (E_RNA)
where:
Base-Base interactions energy: -48.765
where: short stacking energy: -35.364
Base-Backbone interact. energy: -0.572
local terms energy: -55.865190
where:
bonds (distance) C4'-P energy: -16.436
bonds (distance) P-C4' energy: -15.432
flat angles C4'-P-C4' energy: -13.986
flat angles P-C4'-P energy: -7.371
tors. eta vs tors. theta energy: -2.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 190
Temperature: 1.350000
Total energy: -88.819539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.819539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.819539 (E_RNA)
where:
Base-Base interactions energy: -41.237
where: short stacking energy: -24.817
Base-Backbone interact. energy: 0.678
local terms energy: -48.260688
where:
bonds (distance) C4'-P energy: -17.069
bonds (distance) P-C4' energy: -12.822
flat angles C4'-P-C4' energy: -12.163
flat angles P-C4'-P energy: -5.312
tors. eta vs tors. theta energy: -0.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 191
Temperature: 0.900000
Total energy: -290.456296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.456296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.456296 (E_RNA)
where:
Base-Base interactions energy: -195.123
where: short stacking energy: -80.486
Base-Backbone interact. energy: -0.766
local terms energy: -94.567511
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -19.981
flat angles C4'-P-C4' energy: -21.031
flat angles P-C4'-P energy: -13.586
tors. eta vs tors. theta energy: -23.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 191
Temperature: 0.950000
Total energy: -285.935034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.935034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.935034 (E_RNA)
where:
Base-Base interactions energy: -196.033
where: short stacking energy: -75.687
Base-Backbone interact. energy: -0.331
local terms energy: -89.570932
where:
bonds (distance) C4'-P energy: -15.389
bonds (distance) P-C4' energy: -19.048
flat angles C4'-P-C4' energy: -20.655
flat angles P-C4'-P energy: -12.677
tors. eta vs tors. theta energy: -21.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 191
Temperature: 1.000000
Total energy: -280.063259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.063259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.063259 (E_RNA)
where:
Base-Base interactions energy: -185.095
where: short stacking energy: -76.627
Base-Backbone interact. energy: -1.351
local terms energy: -93.617066
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -19.567
flat angles C4'-P-C4' energy: -18.810
flat angles P-C4'-P energy: -16.525
tors. eta vs tors. theta energy: -25.122
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: 7
=====================================
Write number: 191
Temperature: 1.050000
Total energy: -261.162241 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.162241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.162241 (E_RNA)
where:
Base-Base interactions energy: -164.875
where: short stacking energy: -74.860
Base-Backbone interact. energy: -0.064
local terms energy: -96.222474
where:
bonds (distance) C4'-P energy: -19.399
bonds (distance) P-C4' energy: -21.221
flat angles C4'-P-C4' energy: -15.927
flat angles P-C4'-P energy: -13.683
tors. eta vs tors. theta energy: -25.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 191
Temperature: 1.100000
Total energy: -255.644321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.644321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.644321 (E_RNA)
where:
Base-Base interactions energy: -175.743
where: short stacking energy: -70.737
Base-Backbone interact. energy: -0.161
local terms energy: -79.740679
where:
bonds (distance) C4'-P energy: -17.125
bonds (distance) P-C4' energy: -14.964
flat angles C4'-P-C4' energy: -17.977
flat angles P-C4'-P energy: -3.839
tors. eta vs tors. theta energy: -25.836
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: 191
Temperature: 1.150000
Total energy: -261.297769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.297769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.297769 (E_RNA)
where:
Base-Base interactions energy: -176.942
where: short stacking energy: -70.676
Base-Backbone interact. energy: -0.486
local terms energy: -83.869959
where:
bonds (distance) C4'-P energy: -17.463
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -18.086
flat angles P-C4'-P energy: -13.476
tors. eta vs tors. theta energy: -18.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 191
Temperature: 1.200000
Total energy: -172.522661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.522661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.522661 (E_RNA)
where:
Base-Base interactions energy: -104.537
where: short stacking energy: -48.687
Base-Backbone interact. energy: -0.117
local terms energy: -67.868801
where:
bonds (distance) C4'-P energy: -16.681
bonds (distance) P-C4' energy: -12.023
flat angles C4'-P-C4' energy: -13.469
flat angles P-C4'-P energy: -15.460
tors. eta vs tors. theta energy: -10.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 191
Temperature: 1.250000
Total energy: -169.821388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.821388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.821388 (E_RNA)
where:
Base-Base interactions energy: -106.644
where: short stacking energy: -52.322
Base-Backbone interact. energy: -1.108
local terms energy: -62.069089
where:
bonds (distance) C4'-P energy: -17.075
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -15.077
flat angles P-C4'-P energy: -3.282
tors. eta vs tors. theta energy: -11.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 191
Temperature: 1.300000
Total energy: -97.782970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.782970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.782970 (E_RNA)
where:
Base-Base interactions energy: -52.888
where: short stacking energy: -29.387
Base-Backbone interact. energy: -0.358
local terms energy: -44.537257
where:
bonds (distance) C4'-P energy: -7.377
bonds (distance) P-C4' energy: -13.591
flat angles C4'-P-C4' energy: -12.910
flat angles P-C4'-P energy: -15.919
tors. eta vs tors. theta energy: 5.260
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: 1
=====================================
Write number: 191
Temperature: 1.350000
Total energy: -84.078464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.078464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.078464 (E_RNA)
where:
Base-Base interactions energy: -33.828
where: short stacking energy: -30.679
Base-Backbone interact. energy: -0.180
local terms energy: -50.070423
where:
bonds (distance) C4'-P energy: -11.165
bonds (distance) P-C4' energy: -19.314
flat angles C4'-P-C4' energy: -8.430
flat angles P-C4'-P energy: -12.305
tors. eta vs tors. theta energy: 1.144
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: 2
=====================================
Write number: 192
Temperature: 0.900000
Total energy: -290.909108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.909108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.909108 (E_RNA)
where:
Base-Base interactions energy: -196.259
where: short stacking energy: -72.800
Base-Backbone interact. energy: 1.117
local terms energy: -95.767003
where:
bonds (distance) C4'-P energy: -18.776
bonds (distance) P-C4' energy: -20.566
flat angles C4'-P-C4' energy: -19.210
flat angles P-C4'-P energy: -16.029
tors. eta vs tors. theta energy: -21.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 192
Temperature: 0.950000
Total energy: -281.621990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.621990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.621990 (E_RNA)
where:
Base-Base interactions energy: -191.159
where: short stacking energy: -80.305
Base-Backbone interact. energy: -0.283
local terms energy: -90.180373
where:
bonds (distance) C4'-P energy: -15.426
bonds (distance) P-C4' energy: -20.373
flat angles C4'-P-C4' energy: -17.853
flat angles P-C4'-P energy: -14.286
tors. eta vs tors. theta energy: -22.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 192
Temperature: 1.000000
Total energy: -279.431349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.431349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.431349 (E_RNA)
where:
Base-Base interactions energy: -187.778
where: short stacking energy: -73.776
Base-Backbone interact. energy: -1.538
local terms energy: -90.115933
where:
bonds (distance) C4'-P energy: -19.426
bonds (distance) P-C4' energy: -14.431
flat angles C4'-P-C4' energy: -20.068
flat angles P-C4'-P energy: -13.714
tors. eta vs tors. theta energy: -22.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 192
Temperature: 1.050000
Total energy: -256.384873 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.384873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.384873 (E_RNA)
where:
Base-Base interactions energy: -166.070
where: short stacking energy: -70.861
Base-Backbone interact. energy: -0.893
local terms energy: -89.421781
where:
bonds (distance) C4'-P energy: -17.551
bonds (distance) P-C4' energy: -19.119
flat angles C4'-P-C4' energy: -18.928
flat angles P-C4'-P energy: -14.551
tors. eta vs tors. theta energy: -19.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 192
Temperature: 1.100000
Total energy: -267.200791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.200791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.200791 (E_RNA)
where:
Base-Base interactions energy: -185.810
where: short stacking energy: -80.154
Base-Backbone interact. energy: 0.626
local terms energy: -82.016739
where:
bonds (distance) C4'-P energy: -16.022
bonds (distance) P-C4' energy: -13.253
flat angles C4'-P-C4' energy: -18.857
flat angles P-C4'-P energy: -9.916
tors. eta vs tors. theta energy: -23.970
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: 192
Temperature: 1.150000
Total energy: -239.944656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.944656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.944656 (E_RNA)
where:
Base-Base interactions energy: -167.833
where: short stacking energy: -57.444
Base-Backbone interact. energy: -1.263
local terms energy: -70.848438
where:
bonds (distance) C4'-P energy: -17.600
bonds (distance) P-C4' energy: -15.222
flat angles C4'-P-C4' energy: -9.813
flat angles P-C4'-P energy: -11.466
tors. eta vs tors. theta energy: -16.748
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: 7, replica: 8
=====================================
Write number: 192
Temperature: 1.200000
Total energy: -170.136442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.136442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.136442 (E_RNA)
where:
Base-Base interactions energy: -108.164
where: short stacking energy: -38.337
Base-Backbone interact. energy: -1.040
local terms energy: -60.932110
where:
bonds (distance) C4'-P energy: -17.050
bonds (distance) P-C4' energy: -13.502
flat angles C4'-P-C4' energy: -12.952
flat angles P-C4'-P energy: -7.636
tors. eta vs tors. theta energy: -9.792
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: 6
=====================================
Write number: 192
Temperature: 1.250000
Total energy: -164.159453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.159453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.159453 (E_RNA)
where:
Base-Base interactions energy: -93.433
where: short stacking energy: -37.465
Base-Backbone interact. energy: 0.447
local terms energy: -71.173670
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -18.600
flat angles C4'-P-C4' energy: -20.033
flat angles P-C4'-P energy: -10.517
tors. eta vs tors. theta energy: -8.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 192
Temperature: 1.300000
Total energy: -92.557297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.557297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.557297 (E_RNA)
where:
Base-Base interactions energy: -29.087
where: short stacking energy: -29.087
Base-Backbone interact. energy: -0.128
local terms energy: -63.342048
where:
bonds (distance) C4'-P energy: -20.366
bonds (distance) P-C4' energy: -15.225
flat angles C4'-P-C4' energy: -16.316
flat angles P-C4'-P energy: -7.170
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: 10, replica: 9
=====================================
Write number: 192
Temperature: 1.350000
Total energy: -87.120641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.120641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.120641 (E_RNA)
where:
Base-Base interactions energy: -29.363
where: short stacking energy: -26.820
Base-Backbone interact. energy: -0.763
local terms energy: -56.994663
where:
bonds (distance) C4'-P energy: -14.835
bonds (distance) P-C4' energy: -12.875
flat angles C4'-P-C4' energy: -14.880
flat angles P-C4'-P energy: -10.725
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: 1, replica: 2
=====================================
Write number: 193
Temperature: 0.900000
Total energy: -287.081020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.081020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.081020 (E_RNA)
where:
Base-Base interactions energy: -199.122
where: short stacking energy: -75.003
Base-Backbone interact. energy: -0.301
local terms energy: -87.658398
where:
bonds (distance) C4'-P energy: -19.400
bonds (distance) P-C4' energy: -15.257
flat angles C4'-P-C4' energy: -20.383
flat angles P-C4'-P energy: -10.443
tors. eta vs tors. theta energy: -22.175
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: 3
=====================================
Write number: 193
Temperature: 0.950000
Total energy: -285.860106 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.860106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.860106 (E_RNA)
where:
Base-Base interactions energy: -197.734
where: short stacking energy: -80.027
Base-Backbone interact. energy: -0.749
local terms energy: -87.376500
where:
bonds (distance) C4'-P energy: -17.931
bonds (distance) P-C4' energy: -16.458
flat angles C4'-P-C4' energy: -16.751
flat angles P-C4'-P energy: -12.316
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: 10
=====================================
Write number: 193
Temperature: 1.000000
Total energy: -274.757177 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.757177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.757177 (E_RNA)
where:
Base-Base interactions energy: -182.820
where: short stacking energy: -70.398
Base-Backbone interact. energy: -0.130
local terms energy: -91.807063
where:
bonds (distance) C4'-P energy: -20.196
bonds (distance) P-C4' energy: -22.237
flat angles C4'-P-C4' energy: -12.563
flat angles P-C4'-P energy: -12.470
tors. eta vs tors. theta energy: -24.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 193
Temperature: 1.050000
Total energy: -275.499951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.499951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.499951 (E_RNA)
where:
Base-Base interactions energy: -194.132
where: short stacking energy: -80.835
Base-Backbone interact. energy: -0.102
local terms energy: -81.265640
where:
bonds (distance) C4'-P energy: -12.486
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -18.156
flat angles P-C4'-P energy: -11.820
tors. eta vs tors. theta energy: -23.142
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: 7
=====================================
Write number: 193
Temperature: 1.100000
Total energy: -274.098116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.098116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.098116 (E_RNA)
where:
Base-Base interactions energy: -196.489
where: short stacking energy: -78.773
Base-Backbone interact. energy: -0.224
local terms energy: -77.385176
where:
bonds (distance) C4'-P energy: -12.142
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -16.570
flat angles P-C4'-P energy: -11.024
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: 6, replica: 4
=====================================
Write number: 193
Temperature: 1.150000
Total energy: -226.375736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.375736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.375736 (E_RNA)
where:
Base-Base interactions energy: -153.327
where: short stacking energy: -61.275
Base-Backbone interact. energy: -0.547
local terms energy: -72.501626
where:
bonds (distance) C4'-P energy: -11.584
bonds (distance) P-C4' energy: -14.810
flat angles C4'-P-C4' energy: -17.023
flat angles P-C4'-P energy: -8.170
tors. eta vs tors. theta energy: -20.914
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: 7, replica: 8
=====================================
Write number: 193
Temperature: 1.200000
Total energy: -158.874541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.874541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.874541 (E_RNA)
where:
Base-Base interactions energy: -94.719
where: short stacking energy: -45.622
Base-Backbone interact. energy: 1.767
local terms energy: -65.923309
where:
bonds (distance) C4'-P energy: -16.428
bonds (distance) P-C4' energy: -18.153
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -10.035
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: 8, replica: 6
=====================================
Write number: 193
Temperature: 1.250000
Total energy: -147.499696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.499696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.499696 (E_RNA)
where:
Base-Base interactions energy: -85.974
where: short stacking energy: -47.516
Base-Backbone interact. energy: 1.844
local terms energy: -63.370033
where:
bonds (distance) C4'-P energy: -9.403
bonds (distance) P-C4' energy: -18.486
flat angles C4'-P-C4' energy: -12.405
flat angles P-C4'-P energy: -12.730
tors. eta vs tors. theta energy: -10.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 193
Temperature: 1.300000
Total energy: -109.020052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.020052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.020052 (E_RNA)
where:
Base-Base interactions energy: -46.900
where: short stacking energy: -38.288
Base-Backbone interact. energy: -0.600
local terms energy: -61.520410
where:
bonds (distance) C4'-P energy: -10.418
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -14.557
flat angles P-C4'-P energy: -11.455
tors. eta vs tors. theta energy: -8.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 193
Temperature: 1.350000
Total energy: -80.404164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.404164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.404164 (E_RNA)
where:
Base-Base interactions energy: -32.525
where: short stacking energy: -18.232
Base-Backbone interact. energy: -0.192
local terms energy: -47.687398
where:
bonds (distance) C4'-P energy: -15.609
bonds (distance) P-C4' energy: -10.377
flat angles C4'-P-C4' energy: -19.508
flat angles P-C4'-P energy: -8.514
tors. eta vs tors. theta energy: 6.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 194
Temperature: 0.900000
Total energy: -298.131336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -298.131336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -298.131336 (E_RNA)
where:
Base-Base interactions energy: -205.579
where: short stacking energy: -79.888
Base-Backbone interact. energy: -2.519
local terms energy: -90.032819
where:
bonds (distance) C4'-P energy: -18.135
bonds (distance) P-C4' energy: -18.085
flat angles C4'-P-C4' energy: -19.629
flat angles P-C4'-P energy: -10.834
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: 2, replica: 2
=====================================
Write number: 194
Temperature: 0.950000
Total energy: -287.909586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.909586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.909586 (E_RNA)
where:
Base-Base interactions energy: -194.737
where: short stacking energy: -76.997
Base-Backbone interact. energy: -0.047
local terms energy: -93.125090
where:
bonds (distance) C4'-P energy: -18.946
bonds (distance) P-C4' energy: -19.213
flat angles C4'-P-C4' energy: -19.346
flat angles P-C4'-P energy: -13.249
tors. eta vs tors. theta energy: -22.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 194
Temperature: 1.000000
Total energy: -282.011399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.011399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.011399 (E_RNA)
where:
Base-Base interactions energy: -192.477
where: short stacking energy: -77.823
Base-Backbone interact. energy: -0.006
local terms energy: -89.528658
where:
bonds (distance) C4'-P energy: -14.926
bonds (distance) P-C4' energy: -16.685
flat angles C4'-P-C4' energy: -19.780
flat angles P-C4'-P energy: -13.953
tors. eta vs tors. theta energy: -24.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 194
Temperature: 1.050000
Total energy: -278.124531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.124531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.124531 (E_RNA)
where:
Base-Base interactions energy: -189.337
where: short stacking energy: -72.889
Base-Backbone interact. energy: -0.058
local terms energy: -88.729619
where:
bonds (distance) C4'-P energy: -19.774
bonds (distance) P-C4' energy: -18.055
flat angles C4'-P-C4' energy: -16.606
flat angles P-C4'-P energy: -12.449
tors. eta vs tors. theta energy: -21.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 194
Temperature: 1.100000
Total energy: -264.571991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.571991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.571991 (E_RNA)
where:
Base-Base interactions energy: -189.093
where: short stacking energy: -74.923
Base-Backbone interact. energy: -0.372
local terms energy: -75.107336
where:
bonds (distance) C4'-P energy: -10.977
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -14.179
flat angles P-C4'-P energy: -12.656
tors. eta vs tors. theta energy: -20.372
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: 194
Temperature: 1.150000
Total energy: -248.090583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.090583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.090583 (E_RNA)
where:
Base-Base interactions energy: -171.769
where: short stacking energy: -61.909
Base-Backbone interact. energy: -0.670
local terms energy: -75.651207
where:
bonds (distance) C4'-P energy: -8.937
bonds (distance) P-C4' energy: -18.928
flat angles C4'-P-C4' energy: -18.216
flat angles P-C4'-P energy: -9.500
tors. eta vs tors. theta energy: -20.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 194
Temperature: 1.200000
Total energy: -162.827723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.827723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.827723 (E_RNA)
where:
Base-Base interactions energy: -100.954
where: short stacking energy: -43.012
Base-Backbone interact. energy: -0.127
local terms energy: -61.746665
where:
bonds (distance) C4'-P energy: -13.808
bonds (distance) P-C4' energy: -14.438
flat angles C4'-P-C4' energy: -14.888
flat angles P-C4'-P energy: -8.723
tors. eta vs tors. theta energy: -9.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 194
Temperature: 1.250000
Total energy: -169.209751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.209751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.209751 (E_RNA)
where:
Base-Base interactions energy: -111.027
where: short stacking energy: -40.020
Base-Backbone interact. energy: -0.677
local terms energy: -57.506039
where:
bonds (distance) C4'-P energy: -12.909
bonds (distance) P-C4' energy: -13.812
flat angles C4'-P-C4' energy: -12.214
flat angles P-C4'-P energy: -12.183
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: 9, replica: 9
=====================================
Write number: 194
Temperature: 1.300000
Total energy: -88.093200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.093200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.093200 (E_RNA)
where:
Base-Base interactions energy: -32.141
where: short stacking energy: -32.141
Base-Backbone interact. energy: -0.030
local terms energy: -55.922057
where:
bonds (distance) C4'-P energy: -12.217
bonds (distance) P-C4' energy: -18.069
flat angles C4'-P-C4' energy: -12.664
flat angles P-C4'-P energy: -12.700
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: 10, replica: 1
=====================================
Write number: 194
Temperature: 1.350000
Total energy: -83.171310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.171310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.171310 (E_RNA)
where:
Base-Base interactions energy: -30.827
where: short stacking energy: -13.921
Base-Backbone interact. energy: -0.203
local terms energy: -52.141599
where:
bonds (distance) C4'-P energy: -16.243
bonds (distance) P-C4' energy: -19.420
flat angles C4'-P-C4' energy: -12.235
flat angles P-C4'-P energy: -5.992
tors. eta vs tors. theta energy: 1.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 195
Temperature: 0.900000
Total energy: -287.550077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.550077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.550077 (E_RNA)
where:
Base-Base interactions energy: -198.724
where: short stacking energy: -75.064
Base-Backbone interact. energy: -0.399
local terms energy: -88.426446
where:
bonds (distance) C4'-P energy: -14.491
bonds (distance) P-C4' energy: -18.646
flat angles C4'-P-C4' energy: -19.737
flat angles P-C4'-P energy: -13.532
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: 5
=====================================
Write number: 195
Temperature: 0.950000
Total energy: -286.431432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.431432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.431432 (E_RNA)
where:
Base-Base interactions energy: -196.379
where: short stacking energy: -82.910
Base-Backbone interact. energy: -0.084
local terms energy: -89.968487
where:
bonds (distance) C4'-P energy: -14.433
bonds (distance) P-C4' energy: -17.156
flat angles C4'-P-C4' energy: -16.990
flat angles P-C4'-P energy: -13.232
tors. eta vs tors. theta energy: -28.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 195
Temperature: 1.000000
Total energy: -278.248263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.248263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.248263 (E_RNA)
where:
Base-Base interactions energy: -192.072
where: short stacking energy: -78.237
Base-Backbone interact. energy: -0.423
local terms energy: -85.753134
where:
bonds (distance) C4'-P energy: -11.853
bonds (distance) P-C4' energy: -20.042
flat angles C4'-P-C4' energy: -19.014
flat angles P-C4'-P energy: -9.828
tors. eta vs tors. theta energy: -25.015
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: 7
=====================================
Write number: 195
Temperature: 1.050000
Total energy: -270.752996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.752996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.752996 (E_RNA)
where:
Base-Base interactions energy: -189.853
where: short stacking energy: -73.340
Base-Backbone interact. energy: 0.060
local terms energy: -80.959739
where:
bonds (distance) C4'-P energy: -18.051
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -15.001
flat angles P-C4'-P energy: -10.386
tors. eta vs tors. theta energy: -19.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 195
Temperature: 1.100000
Total energy: -273.549099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.549099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.549099 (E_RNA)
where:
Base-Base interactions energy: -179.952
where: short stacking energy: -72.781
Base-Backbone interact. energy: -0.493
local terms energy: -93.103796
where:
bonds (distance) C4'-P energy: -16.176
bonds (distance) P-C4' energy: -17.531
flat angles C4'-P-C4' energy: -21.369
flat angles P-C4'-P energy: -13.332
tors. eta vs tors. theta energy: -24.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 195
Temperature: 1.150000
Total energy: -257.215173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.215173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.215173 (E_RNA)
where:
Base-Base interactions energy: -167.206
where: short stacking energy: -64.860
Base-Backbone interact. energy: -1.161
local terms energy: -88.848218
where:
bonds (distance) C4'-P energy: -17.545
bonds (distance) P-C4' energy: -20.725
flat angles C4'-P-C4' energy: -16.588
flat angles P-C4'-P energy: -12.341
tors. eta vs tors. theta energy: -21.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 195
Temperature: 1.200000
Total energy: -180.067510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.067510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.067510 (E_RNA)
where:
Base-Base interactions energy: -103.303
where: short stacking energy: -46.557
Base-Backbone interact. energy: -0.388
local terms energy: -76.375680
where:
bonds (distance) C4'-P energy: -17.140
bonds (distance) P-C4' energy: -20.137
flat angles C4'-P-C4' energy: -15.332
flat angles P-C4'-P energy: -12.440
tors. eta vs tors. theta energy: -11.327
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: 8
=====================================
Write number: 195
Temperature: 1.250000
Total energy: -165.995400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.995400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.995400 (E_RNA)
where:
Base-Base interactions energy: -96.698
where: short stacking energy: -44.757
Base-Backbone interact. energy: -0.264
local terms energy: -69.033421
where:
bonds (distance) C4'-P energy: -11.055
bonds (distance) P-C4' energy: -19.416
flat angles C4'-P-C4' energy: -13.658
flat angles P-C4'-P energy: -10.255
tors. eta vs tors. theta energy: -14.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 195
Temperature: 1.300000
Total energy: -104.947906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.947906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.947906 (E_RNA)
where:
Base-Base interactions energy: -47.482
where: short stacking energy: -39.877
Base-Backbone interact. energy: -0.091
local terms energy: -57.374388
where:
bonds (distance) C4'-P energy: -11.668
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -14.345
flat angles P-C4'-P energy: -12.106
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: 1
=====================================
Write number: 195
Temperature: 1.350000
Total energy: -85.214464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.214464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.214464 (E_RNA)
where:
Base-Base interactions energy: -38.044
where: short stacking energy: -26.298
Base-Backbone interact. energy: 1.177
local terms energy: -48.347345
where:
bonds (distance) C4'-P energy: -16.763
bonds (distance) P-C4' energy: -17.133
flat angles C4'-P-C4' energy: -10.015
flat angles P-C4'-P energy: -7.336
tors. eta vs tors. theta energy: 2.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 196
Temperature: 0.900000
Total energy: -292.192300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.192300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.192300 (E_RNA)
where:
Base-Base interactions energy: -202.460
where: short stacking energy: -89.476
Base-Backbone interact. energy: -0.104
local terms energy: -89.627995
where:
bonds (distance) C4'-P energy: -18.126
bonds (distance) P-C4' energy: -19.170
flat angles C4'-P-C4' energy: -17.427
flat angles P-C4'-P energy: -9.171
tors. eta vs tors. theta energy: -25.734
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: 196
Temperature: 0.950000
Total energy: -292.466227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.466227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.466227 (E_RNA)
where:
Base-Base interactions energy: -200.600
where: short stacking energy: -79.819
Base-Backbone interact. energy: 0.241
local terms energy: -92.107127
where:
bonds (distance) C4'-P energy: -18.707
bonds (distance) P-C4' energy: -17.186
flat angles C4'-P-C4' energy: -20.464
flat angles P-C4'-P energy: -12.561
tors. eta vs tors. theta energy: -23.190
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 196
Temperature: 1.000000
Total energy: -267.853352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.853352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.853352 (E_RNA)
where:
Base-Base interactions energy: -180.044
where: short stacking energy: -77.576
Base-Backbone interact. energy: -0.211
local terms energy: -87.599042
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -16.551
flat angles C4'-P-C4' energy: -19.683
flat angles P-C4'-P energy: -12.123
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: 4, replica: 7
=====================================
Write number: 196
Temperature: 1.050000
Total energy: -271.279701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.279701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.279701 (E_RNA)
where:
Base-Base interactions energy: -188.686
where: short stacking energy: -75.747
Base-Backbone interact. energy: -0.030
local terms energy: -82.563929
where:
bonds (distance) C4'-P energy: -10.771
bonds (distance) P-C4' energy: -15.000
flat angles C4'-P-C4' energy: -19.519
flat angles P-C4'-P energy: -13.163
tors. eta vs tors. theta energy: -24.111
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: 4
=====================================
Write number: 196
Temperature: 1.100000
Total energy: -277.345649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.345649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.345649 (E_RNA)
where:
Base-Base interactions energy: -188.106
where: short stacking energy: -76.280
Base-Backbone interact. energy: -0.368
local terms energy: -88.871957
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -17.590
flat angles C4'-P-C4' energy: -17.568
flat angles P-C4'-P energy: -14.087
tors. eta vs tors. theta energy: -22.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 196
Temperature: 1.150000
Total energy: -265.476919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.476919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.476919 (E_RNA)
where:
Base-Base interactions energy: -185.259
where: short stacking energy: -75.329
Base-Backbone interact. energy: -0.242
local terms energy: -79.975492
where:
bonds (distance) C4'-P energy: -17.736
bonds (distance) P-C4' energy: -11.710
flat angles C4'-P-C4' energy: -17.535
flat angles P-C4'-P energy: -9.501
tors. eta vs tors. theta energy: -23.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 196
Temperature: 1.200000
Total energy: -167.820076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.820076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.820076 (E_RNA)
where:
Base-Base interactions energy: -112.194
where: short stacking energy: -55.134
Base-Backbone interact. energy: -0.165
local terms energy: -55.461312
where:
bonds (distance) C4'-P energy: -12.946
bonds (distance) P-C4' energy: -11.000
flat angles C4'-P-C4' energy: -15.276
flat angles P-C4'-P energy: -7.233
tors. eta vs tors. theta energy: -9.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 196
Temperature: 1.250000
Total energy: -158.024958 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.024958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.024958 (E_RNA)
where:
Base-Base interactions energy: -100.001
where: short stacking energy: -42.805
Base-Backbone interact. energy: 1.064
local terms energy: -59.087693
where:
bonds (distance) C4'-P energy: -16.487
bonds (distance) P-C4' energy: -18.178
flat angles C4'-P-C4' energy: -10.650
flat angles P-C4'-P energy: -5.390
tors. eta vs tors. theta energy: -8.384
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: 9
=====================================
Write number: 196
Temperature: 1.300000
Total energy: -80.414658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.414658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.414658 (E_RNA)
where:
Base-Base interactions energy: -28.244
where: short stacking energy: -27.760
Base-Backbone interact. energy: -0.511
local terms energy: -51.659518
where:
bonds (distance) C4'-P energy: -10.984
bonds (distance) P-C4' energy: -18.760
flat angles C4'-P-C4' energy: -12.467
flat angles P-C4'-P energy: -3.029
tors. eta vs tors. theta energy: -6.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 196
Temperature: 1.350000
Total energy: -80.347621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.347621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.347621 (E_RNA)
where:
Base-Base interactions energy: -24.824
where: short stacking energy: -19.711
Base-Backbone interact. energy: -1.823
local terms energy: -53.700720
where:
bonds (distance) C4'-P energy: -18.841
bonds (distance) P-C4' energy: -17.195
flat angles C4'-P-C4' energy: -14.177
flat angles P-C4'-P energy: -7.651
tors. eta vs tors. theta energy: 4.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 197
Temperature: 0.900000
Total energy: -285.312233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.312233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.312233 (E_RNA)
where:
Base-Base interactions energy: -198.267
where: short stacking energy: -81.009
Base-Backbone interact. energy: -0.089
local terms energy: -86.956336
where:
bonds (distance) C4'-P energy: -10.707
bonds (distance) P-C4' energy: -20.343
flat angles C4'-P-C4' energy: -19.442
flat angles P-C4'-P energy: -8.816
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: 3
=====================================
Write number: 197
Temperature: 0.950000
Total energy: -279.399334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.399334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.399334 (E_RNA)
where:
Base-Base interactions energy: -194.594
where: short stacking energy: -77.330
Base-Backbone interact. energy: -0.012
local terms energy: -84.792667
where:
bonds (distance) C4'-P energy: -16.150
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -18.303
flat angles P-C4'-P energy: -12.903
tors. eta vs tors. theta energy: -22.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 197
Temperature: 1.000000
Total energy: -264.571142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.571142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.571142 (E_RNA)
where:
Base-Base interactions energy: -177.020
where: short stacking energy: -80.096
Base-Backbone interact. energy: -0.060
local terms energy: -87.490597
where:
bonds (distance) C4'-P energy: -18.141
bonds (distance) P-C4' energy: -17.226
flat angles C4'-P-C4' energy: -17.330
flat angles P-C4'-P energy: -13.119
tors. eta vs tors. theta energy: -21.675
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: 4
=====================================
Write number: 197
Temperature: 1.050000
Total energy: -253.645907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.645907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.645907 (E_RNA)
where:
Base-Base interactions energy: -166.923
where: short stacking energy: -74.755
Base-Backbone interact. energy: -0.263
local terms energy: -86.460856
where:
bonds (distance) C4'-P energy: -14.430
bonds (distance) P-C4' energy: -15.561
flat angles C4'-P-C4' energy: -17.107
flat angles P-C4'-P energy: -15.920
tors. eta vs tors. theta energy: -23.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 197
Temperature: 1.100000
Total energy: -268.878627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.878627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.878627 (E_RNA)
where:
Base-Base interactions energy: -179.781
where: short stacking energy: -76.360
Base-Backbone interact. energy: -0.317
local terms energy: -88.780209
where:
bonds (distance) C4'-P energy: -15.091
bonds (distance) P-C4' energy: -17.227
flat angles C4'-P-C4' energy: -18.445
flat angles P-C4'-P energy: -13.448
tors. eta vs tors. theta energy: -24.570
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: 10
=====================================
Write number: 197
Temperature: 1.150000
Total energy: -260.022947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.022947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.022947 (E_RNA)
where:
Base-Base interactions energy: -176.661
where: short stacking energy: -73.282
Base-Backbone interact. energy: -0.178
local terms energy: -83.183548
where:
bonds (distance) C4'-P energy: -17.018
bonds (distance) P-C4' energy: -18.889
flat angles C4'-P-C4' energy: -16.915
flat angles P-C4'-P energy: -8.723
tors. eta vs tors. theta energy: -21.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 197
Temperature: 1.200000
Total energy: -174.236874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.236874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.236874 (E_RNA)
where:
Base-Base interactions energy: -112.119
where: short stacking energy: -42.722
Base-Backbone interact. energy: -0.118
local terms energy: -61.999926
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -10.293
flat angles C4'-P-C4' energy: -14.578
flat angles P-C4'-P energy: -9.919
tors. eta vs tors. theta energy: -10.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 197
Temperature: 1.250000
Total energy: -159.675217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.675217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.675217 (E_RNA)
where:
Base-Base interactions energy: -97.288
where: short stacking energy: -41.801
Base-Backbone interact. energy: 0.258
local terms energy: -62.645770
where:
bonds (distance) C4'-P energy: -16.792
bonds (distance) P-C4' energy: -16.970
flat angles C4'-P-C4' energy: -12.226
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: -7.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 197
Temperature: 1.300000
Total energy: -112.543781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.543781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.543781 (E_RNA)
where:
Base-Base interactions energy: -42.727
where: short stacking energy: -30.220
Base-Backbone interact. energy: 0.175
local terms energy: -69.992504
where:
bonds (distance) C4'-P energy: -18.171
bonds (distance) P-C4' energy: -19.308
flat angles C4'-P-C4' energy: -13.490
flat angles P-C4'-P energy: -13.367
tors. eta vs tors. theta energy: -5.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 197
Temperature: 1.350000
Total energy: -96.604599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.604599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.604599 (E_RNA)
where:
Base-Base interactions energy: -36.342
where: short stacking energy: -36.342
Base-Backbone interact. energy: 0.566
local terms energy: -60.828543
where:
bonds (distance) C4'-P energy: -13.886
bonds (distance) P-C4' energy: -15.387
flat angles C4'-P-C4' energy: -11.482
flat angles P-C4'-P energy: -8.272
tors. eta vs tors. theta energy: -11.802
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 198
Temperature: 0.900000
Total energy: -293.449555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.449555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.449555 (E_RNA)
where:
Base-Base interactions energy: -202.296
where: short stacking energy: -86.625
Base-Backbone interact. energy: -0.004
local terms energy: -91.149396
where:
bonds (distance) C4'-P energy: -20.030
bonds (distance) P-C4' energy: -16.696
flat angles C4'-P-C4' energy: -18.190
flat angles P-C4'-P energy: -12.481
tors. eta vs tors. theta energy: -23.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 198
Temperature: 0.950000
Total energy: -280.736291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.736291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.736291 (E_RNA)
where:
Base-Base interactions energy: -186.962
where: short stacking energy: -85.321
Base-Backbone interact. energy: -0.246
local terms energy: -93.528330
where:
bonds (distance) C4'-P energy: -21.765
bonds (distance) P-C4' energy: -16.202
flat angles C4'-P-C4' energy: -17.238
flat angles P-C4'-P energy: -14.258
tors. eta vs tors. theta energy: -24.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 198
Temperature: 1.000000
Total energy: -279.188855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.188855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.188855 (E_RNA)
where:
Base-Base interactions energy: -196.426
where: short stacking energy: -80.223
Base-Backbone interact. energy: -0.707
local terms energy: -82.055065
where:
bonds (distance) C4'-P energy: -11.211
bonds (distance) P-C4' energy: -16.419
flat angles C4'-P-C4' energy: -15.843
flat angles P-C4'-P energy: -13.271
tors. eta vs tors. theta energy: -25.310
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: 4
=====================================
Write number: 198
Temperature: 1.050000
Total energy: -253.333649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.333649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.333649 (E_RNA)
where:
Base-Base interactions energy: -170.460
where: short stacking energy: -75.448
Base-Backbone interact. energy: -0.069
local terms energy: -82.804496
where:
bonds (distance) C4'-P energy: -14.854
bonds (distance) P-C4' energy: -20.238
flat angles C4'-P-C4' energy: -20.872
flat angles P-C4'-P energy: -8.697
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: 5, replica: 10
=====================================
Write number: 198
Temperature: 1.100000
Total energy: -256.372073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.372073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.372073 (E_RNA)
where:
Base-Base interactions energy: -184.398
where: short stacking energy: -68.493
Base-Backbone interact. energy: 0.091
local terms energy: -72.065528
where:
bonds (distance) C4'-P energy: -14.561
bonds (distance) P-C4' energy: -16.217
flat angles C4'-P-C4' energy: -13.793
flat angles P-C4'-P energy: -6.005
tors. eta vs tors. theta energy: -21.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 198
Temperature: 1.150000
Total energy: -256.073779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.073779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.073779 (E_RNA)
where:
Base-Base interactions energy: -177.950
where: short stacking energy: -66.974
Base-Backbone interact. energy: -0.057
local terms energy: -78.067261
where:
bonds (distance) C4'-P energy: -15.513
bonds (distance) P-C4' energy: -13.688
flat angles C4'-P-C4' energy: -17.574
flat angles P-C4'-P energy: -12.315
tors. eta vs tors. theta energy: -18.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 198
Temperature: 1.200000
Total energy: -189.287420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.287420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.287420 (E_RNA)
where:
Base-Base interactions energy: -113.619
where: short stacking energy: -54.015
Base-Backbone interact. energy: -0.655
local terms energy: -75.013241
where:
bonds (distance) C4'-P energy: -17.828
bonds (distance) P-C4' energy: -15.579
flat angles C4'-P-C4' energy: -18.674
flat angles P-C4'-P energy: -9.588
tors. eta vs tors. theta energy: -13.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 198
Temperature: 1.250000
Total energy: -147.477584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.477584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.477584 (E_RNA)
where:
Base-Base interactions energy: -78.394
where: short stacking energy: -40.867
Base-Backbone interact. energy: -0.799
local terms energy: -68.284826
where:
bonds (distance) C4'-P energy: -12.648
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -13.129
flat angles P-C4'-P energy: -14.385
tors. eta vs tors. theta energy: -11.046
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: 9, replica: 1
=====================================
Write number: 198
Temperature: 1.300000
Total energy: -85.733306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.733306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.733306 (E_RNA)
where:
Base-Base interactions energy: -29.964
where: short stacking energy: -29.761
Base-Backbone interact. energy: -0.017
local terms energy: -55.752362
where:
bonds (distance) C4'-P energy: -12.649
bonds (distance) P-C4' energy: -20.563
flat angles C4'-P-C4' energy: -9.612
flat angles P-C4'-P energy: -9.555
tors. eta vs tors. theta energy: -3.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 198
Temperature: 1.350000
Total energy: -86.242963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.242963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.242963 (E_RNA)
where:
Base-Base interactions energy: -34.842
where: short stacking energy: -28.865
Base-Backbone interact. energy: -0.589
local terms energy: -50.812351
where:
bonds (distance) C4'-P energy: -11.535
bonds (distance) P-C4' energy: -15.838
flat angles C4'-P-C4' energy: -13.921
flat angles P-C4'-P energy: -11.026
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: 5
=====================================
Write number: 199
Temperature: 0.900000
Total energy: -288.333387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.333387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.333387 (E_RNA)
where:
Base-Base interactions energy: -199.095
where: short stacking energy: -81.302
Base-Backbone interact. energy: -0.630
local terms energy: -88.609024
where:
bonds (distance) C4'-P energy: -17.215
bonds (distance) P-C4' energy: -18.600
flat angles C4'-P-C4' energy: -15.305
flat angles P-C4'-P energy: -13.138
tors. eta vs tors. theta energy: -24.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 199
Temperature: 0.950000
Total energy: -280.470398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.470398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.470398 (E_RNA)
where:
Base-Base interactions energy: -195.831
where: short stacking energy: -77.401
Base-Backbone interact. energy: -2.558
local terms energy: -82.081291
where:
bonds (distance) C4'-P energy: -18.599
bonds (distance) P-C4' energy: -17.165
flat angles C4'-P-C4' energy: -14.783
flat angles P-C4'-P energy: -9.088
tors. eta vs tors. theta energy: -22.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 199
Temperature: 1.000000
Total energy: -285.179608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.179608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.179608 (E_RNA)
where:
Base-Base interactions energy: -196.152
where: short stacking energy: -81.335
Base-Backbone interact. energy: -0.599
local terms energy: -88.428610
where:
bonds (distance) C4'-P energy: -14.847
bonds (distance) P-C4' energy: -19.024
flat angles C4'-P-C4' energy: -17.439
flat angles P-C4'-P energy: -14.049
tors. eta vs tors. theta energy: -23.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 199
Temperature: 1.050000
Total energy: -276.403429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.403429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.403429 (E_RNA)
where:
Base-Base interactions energy: -194.670
where: short stacking energy: -80.670
Base-Backbone interact. energy: 0.287
local terms energy: -82.019938
where:
bonds (distance) C4'-P energy: -16.764
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -16.886
flat angles P-C4'-P energy: -10.916
tors. eta vs tors. theta energy: -22.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 199
Temperature: 1.100000
Total energy: -268.383011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.383011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.383011 (E_RNA)
where:
Base-Base interactions energy: -184.970
where: short stacking energy: -72.517
Base-Backbone interact. energy: -0.105
local terms energy: -83.308035
where:
bonds (distance) C4'-P energy: -16.490
bonds (distance) P-C4' energy: -13.236
flat angles C4'-P-C4' energy: -18.462
flat angles P-C4'-P energy: -14.587
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: 6, replica: 7
=====================================
Write number: 199
Temperature: 1.150000
Total energy: -264.457317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.457317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.457317 (E_RNA)
where:
Base-Base interactions energy: -183.954
where: short stacking energy: -73.159
Base-Backbone interact. energy: -0.452
local terms energy: -80.051572
where:
bonds (distance) C4'-P energy: -15.994
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -11.873
flat angles P-C4'-P energy: -12.183
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: 7, replica: 8
=====================================
Write number: 199
Temperature: 1.200000
Total energy: -203.394400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.394400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.394400 (E_RNA)
where:
Base-Base interactions energy: -133.871
where: short stacking energy: -57.443
Base-Backbone interact. energy: 1.209
local terms energy: -70.731753
where:
bonds (distance) C4'-P energy: -13.137
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -13.342
flat angles P-C4'-P energy: -11.397
tors. eta vs tors. theta energy: -16.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 199
Temperature: 1.250000
Total energy: -152.381295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.381295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.381295 (E_RNA)
where:
Base-Base interactions energy: -90.509
where: short stacking energy: -33.762
Base-Backbone interact. energy: -0.113
local terms energy: -61.759155
where:
bonds (distance) C4'-P energy: -13.354
bonds (distance) P-C4' energy: -17.275
flat angles C4'-P-C4' energy: -14.800
flat angles P-C4'-P energy: -7.308
tors. eta vs tors. theta energy: -9.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 199
Temperature: 1.300000
Total energy: -85.136179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.136179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.136179 (E_RNA)
where:
Base-Base interactions energy: -22.571
where: short stacking energy: -22.374
Base-Backbone interact. energy: -0.155
local terms energy: -62.410594
where:
bonds (distance) C4'-P energy: -10.826
bonds (distance) P-C4' energy: -17.843
flat angles C4'-P-C4' energy: -17.363
flat angles P-C4'-P energy: -10.268
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: 10, replica: 9
=====================================
Write number: 199
Temperature: 1.350000
Total energy: -82.588498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.588498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.588498 (E_RNA)
where:
Base-Base interactions energy: -26.292
where: short stacking energy: -22.892
Base-Backbone interact. energy: -0.222
local terms energy: -56.073809
where:
bonds (distance) C4'-P energy: -15.034
bonds (distance) P-C4' energy: -17.753
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -10.655
tors. eta vs tors. theta energy: 2.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 2
=====================================
Write number: 200
Temperature: 0.900000
Total energy: -288.595904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.595904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.595904 (E_RNA)
where:
Base-Base interactions energy: -191.469
where: short stacking energy: -84.706
Base-Backbone interact. energy: -0.001
local terms energy: -97.126190
where:
bonds (distance) C4'-P energy: -18.709
bonds (distance) P-C4' energy: -19.978
flat angles C4'-P-C4' energy: -19.058
flat angles P-C4'-P energy: -14.447
tors. eta vs tors. theta energy: -24.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 200
Temperature: 0.950000
Total energy: -276.941217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.941217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.941217 (E_RNA)
where:
Base-Base interactions energy: -186.981
where: short stacking energy: -82.538
Base-Backbone interact. energy: -0.165
local terms energy: -89.794646
where:
bonds (distance) C4'-P energy: -18.266
bonds (distance) P-C4' energy: -17.048
flat angles C4'-P-C4' energy: -15.233
flat angles P-C4'-P energy: -16.209
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: 3, replica: 10
=====================================
Write number: 200
Temperature: 1.000000
Total energy: -273.176185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.176185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.176185 (E_RNA)
where:
Base-Base interactions energy: -187.644
where: short stacking energy: -70.718
Base-Backbone interact. energy: -0.166
local terms energy: -85.366261
where:
bonds (distance) C4'-P energy: -11.539
bonds (distance) P-C4' energy: -17.708
flat angles C4'-P-C4' energy: -22.409
flat angles P-C4'-P energy: -9.355
tors. eta vs tors. theta energy: -24.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 200
Temperature: 1.050000
Total energy: -271.653475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.653475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.653475 (E_RNA)
where:
Base-Base interactions energy: -189.902
where: short stacking energy: -72.212
Base-Backbone interact. energy: 0.582
local terms energy: -82.333580
where:
bonds (distance) C4'-P energy: -12.747
bonds (distance) P-C4' energy: -16.619
flat angles C4'-P-C4' energy: -19.235
flat angles P-C4'-P energy: -12.401
tors. eta vs tors. theta energy: -21.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 200
Temperature: 1.100000
Total energy: -273.046736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.046736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.046736 (E_RNA)
where:
Base-Base interactions energy: -184.593
where: short stacking energy: -65.823
Base-Backbone interact. energy: -0.087
local terms energy: -88.367046
where:
bonds (distance) C4'-P energy: -21.371
bonds (distance) P-C4' energy: -19.365
flat angles C4'-P-C4' energy: -15.550
flat angles P-C4'-P energy: -14.332
tors. eta vs tors. theta energy: -17.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 200
Temperature: 1.150000
Total energy: -260.726245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.726245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.726245 (E_RNA)
where:
Base-Base interactions energy: -174.665
where: short stacking energy: -67.113
Base-Backbone interact. energy: -1.242
local terms energy: -84.819257
where:
bonds (distance) C4'-P energy: -12.401
bonds (distance) P-C4' energy: -19.862
flat angles C4'-P-C4' energy: -18.118
flat angles P-C4'-P energy: -10.561
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: 7, replica: 8
=====================================
Write number: 200
Temperature: 1.200000
Total energy: -161.392882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.392882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.392882 (E_RNA)
where:
Base-Base interactions energy: -97.358
where: short stacking energy: -42.377
Base-Backbone interact. energy: -0.555
local terms energy: -63.479710
where:
bonds (distance) C4'-P energy: -13.107
bonds (distance) P-C4' energy: -20.824
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: -8.120
tors. eta vs tors. theta energy: -5.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 200
Temperature: 1.250000
Total energy: -173.817307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.817307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.817307 (E_RNA)
where:
Base-Base interactions energy: -105.807
where: short stacking energy: -46.481
Base-Backbone interact. energy: -0.698
local terms energy: -67.312698
where:
bonds (distance) C4'-P energy: -16.713
bonds (distance) P-C4' energy: -19.992
flat angles C4'-P-C4' energy: -11.666
flat angles P-C4'-P energy: -8.416
tors. eta vs tors. theta energy: -10.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 200
Temperature: 1.300000
Total energy: -85.659627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.659627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.659627 (E_RNA)
where:
Base-Base interactions energy: -22.498
where: short stacking energy: -22.498
Base-Backbone interact. energy: -0.654
local terms energy: -62.507557
where:
bonds (distance) C4'-P energy: -16.689
bonds (distance) P-C4' energy: -19.489
flat angles C4'-P-C4' energy: -15.782
flat angles P-C4'-P energy: -7.869
tors. eta vs tors. theta energy: -2.678
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 200
Temperature: 1.350000
Total energy: -90.408252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.408252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.408252 (E_RNA)
where:
Base-Base interactions energy: -46.367
where: short stacking energy: -29.258
Base-Backbone interact. energy: -0.140
local terms energy: -43.901928
where:
bonds (distance) C4'-P energy: -10.265
bonds (distance) P-C4' energy: -18.130
flat angles C4'-P-C4' energy: -8.179
flat angles P-C4'-P energy: -0.772
tors. eta vs tors. theta energy: -6.556
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: 201
Temperature: 0.900000
Total energy: -289.237148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.237148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.237148 (E_RNA)
where:
Base-Base interactions energy: -198.219
where: short stacking energy: -69.958
Base-Backbone interact. energy: -0.076
local terms energy: -90.942423
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -19.127
flat angles C4'-P-C4' energy: -19.899
flat angles P-C4'-P energy: -13.782
tors. eta vs tors. theta energy: -23.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 201
Temperature: 0.950000
Total energy: -280.573224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.573224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.573224 (E_RNA)
where:
Base-Base interactions energy: -187.959
where: short stacking energy: -85.372
Base-Backbone interact. energy: -0.001
local terms energy: -92.612804
where:
bonds (distance) C4'-P energy: -19.285
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -17.620
flat angles P-C4'-P energy: -14.505
tors. eta vs tors. theta energy: -24.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 201
Temperature: 1.000000
Total energy: -268.957686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.957686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.957686 (E_RNA)
where:
Base-Base interactions energy: -182.357
where: short stacking energy: -73.848
Base-Backbone interact. energy: -1.387
local terms energy: -85.213991
where:
bonds (distance) C4'-P energy: -16.809
bonds (distance) P-C4' energy: -16.138
flat angles C4'-P-C4' energy: -15.471
flat angles P-C4'-P energy: -12.798
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: 4
=====================================
Write number: 201
Temperature: 1.050000
Total energy: -273.175538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.175538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.175538 (E_RNA)
where:
Base-Base interactions energy: -184.882
where: short stacking energy: -71.439
Base-Backbone interact. energy: -0.363
local terms energy: -87.930438
where:
bonds (distance) C4'-P energy: -17.248
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -17.354
flat angles P-C4'-P energy: -14.918
tors. eta vs tors. theta energy: -19.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 201
Temperature: 1.100000
Total energy: -260.875398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.875398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.875398 (E_RNA)
where:
Base-Base interactions energy: -178.380
where: short stacking energy: -71.191
Base-Backbone interact. energy: -2.489
local terms energy: -80.006075
where:
bonds (distance) C4'-P energy: -16.081
bonds (distance) P-C4' energy: -15.096
flat angles C4'-P-C4' energy: -17.293
flat angles P-C4'-P energy: -8.509
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: 6, replica: 7
=====================================
Write number: 201
Temperature: 1.150000
Total energy: -266.319737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.319737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.319737 (E_RNA)
where:
Base-Base interactions energy: -179.762
where: short stacking energy: -73.473
Base-Backbone interact. energy: -0.779
local terms energy: -85.779090
where:
bonds (distance) C4'-P energy: -19.621
bonds (distance) P-C4' energy: -13.340
flat angles C4'-P-C4' energy: -20.320
flat angles P-C4'-P energy: -10.477
tors. eta vs tors. theta energy: -22.022
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: 8
=====================================
Write number: 201
Temperature: 1.200000
Total energy: -161.783112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.783112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.783112 (E_RNA)
where:
Base-Base interactions energy: -107.249
where: short stacking energy: -40.093
Base-Backbone interact. energy: -0.837
local terms energy: -53.696989
where:
bonds (distance) C4'-P energy: -14.891
bonds (distance) P-C4' energy: -16.327
flat angles C4'-P-C4' energy: -12.199
flat angles P-C4'-P energy: -4.805
tors. eta vs tors. theta energy: -5.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 201
Temperature: 1.250000
Total energy: -166.432134 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.432134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.432134 (E_RNA)
where:
Base-Base interactions energy: -100.620
where: short stacking energy: -41.973
Base-Backbone interact. energy: -1.280
local terms energy: -64.531861
where:
bonds (distance) C4'-P energy: -14.455
bonds (distance) P-C4' energy: -13.332
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: -12.421
tors. eta vs tors. theta energy: -9.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 201
Temperature: 1.300000
Total energy: -85.041738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.041738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.041738 (E_RNA)
where:
Base-Base interactions energy: -30.568
where: short stacking energy: -19.648
Base-Backbone interact. energy: 0.892
local terms energy: -55.365857
where:
bonds (distance) C4'-P energy: -17.430
bonds (distance) P-C4' energy: -17.833
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -8.437
tors. eta vs tors. theta energy: 1.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 201
Temperature: 1.350000
Total energy: -94.008996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.008996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.008996 (E_RNA)
where:
Base-Base interactions energy: -37.526
where: short stacking energy: -30.162
Base-Backbone interact. energy: -0.094
local terms energy: -56.389022
where:
bonds (distance) C4'-P energy: -14.230
bonds (distance) P-C4' energy: -13.827
flat angles C4'-P-C4' energy: -16.680
flat angles P-C4'-P energy: -7.679
tors. eta vs tors. theta energy: -3.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 202
Temperature: 0.900000
Total energy: -291.314451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.314451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.314451 (E_RNA)
where:
Base-Base interactions energy: -199.760
where: short stacking energy: -82.553
Base-Backbone interact. energy: -1.091
local terms energy: -90.462850
where:
bonds (distance) C4'-P energy: -21.234
bonds (distance) P-C4' energy: -19.770
flat angles C4'-P-C4' energy: -16.710
flat angles P-C4'-P energy: -8.348
tors. eta vs tors. theta energy: -24.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 2
=====================================
Write number: 202
Temperature: 0.950000
Total energy: -284.887039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.887039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.887039 (E_RNA)
where:
Base-Base interactions energy: -191.434
where: short stacking energy: -79.382
Base-Backbone interact. energy: -1.587
local terms energy: -91.866627
where:
bonds (distance) C4'-P energy: -16.005
bonds (distance) P-C4' energy: -18.600
flat angles C4'-P-C4' energy: -17.952
flat angles P-C4'-P energy: -15.886
tors. eta vs tors. theta energy: -23.423
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: 4
=====================================
Write number: 202
Temperature: 1.000000
Total energy: -285.045799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.045799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.045799 (E_RNA)
where:
Base-Base interactions energy: -196.596
where: short stacking energy: -72.414
Base-Backbone interact. energy: 0.422
local terms energy: -88.872109
where:
bonds (distance) C4'-P energy: -18.490
bonds (distance) P-C4' energy: -17.913
flat angles C4'-P-C4' energy: -18.353
flat angles P-C4'-P energy: -12.193
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: 4, replica: 10
=====================================
Write number: 202
Temperature: 1.050000
Total energy: -280.105084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.105084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.105084 (E_RNA)
where:
Base-Base interactions energy: -189.811
where: short stacking energy: -82.427
Base-Backbone interact. energy: -0.346
local terms energy: -89.948465
where:
bonds (distance) C4'-P energy: -18.431
bonds (distance) P-C4' energy: -15.013
flat angles C4'-P-C4' energy: -18.210
flat angles P-C4'-P energy: -14.176
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: 3
=====================================
Write number: 202
Temperature: 1.100000
Total energy: -256.729637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.729637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.729637 (E_RNA)
where:
Base-Base interactions energy: -177.147
where: short stacking energy: -71.693
Base-Backbone interact. energy: -0.945
local terms energy: -78.638430
where:
bonds (distance) C4'-P energy: -11.452
bonds (distance) P-C4' energy: -18.922
flat angles C4'-P-C4' energy: -14.835
flat angles P-C4'-P energy: -13.364
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: 6, replica: 7
=====================================
Write number: 202
Temperature: 1.150000
Total energy: -262.139655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.139655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.139655 (E_RNA)
where:
Base-Base interactions energy: -189.498
where: short stacking energy: -72.325
Base-Backbone interact. energy: -0.206
local terms energy: -72.435991
where:
bonds (distance) C4'-P energy: -10.603
bonds (distance) P-C4' energy: -16.683
flat angles C4'-P-C4' energy: -12.818
flat angles P-C4'-P energy: -8.401
tors. eta vs tors. theta energy: -23.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 202
Temperature: 1.200000
Total energy: -175.304900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.304900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.304900 (E_RNA)
where:
Base-Base interactions energy: -105.367
where: short stacking energy: -48.952
Base-Backbone interact. energy: -0.525
local terms energy: -69.413214
where:
bonds (distance) C4'-P energy: -14.193
bonds (distance) P-C4' energy: -19.045
flat angles C4'-P-C4' energy: -15.040
flat angles P-C4'-P energy: -11.706
tors. eta vs tors. theta energy: -9.429
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: 8
=====================================
Write number: 202
Temperature: 1.250000
Total energy: -164.981074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.981074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.981074 (E_RNA)
where:
Base-Base interactions energy: -103.798
where: short stacking energy: -43.152
Base-Backbone interact. energy: -0.527
local terms energy: -60.656059
where:
bonds (distance) C4'-P energy: -13.871
bonds (distance) P-C4' energy: -11.602
flat angles C4'-P-C4' energy: -18.069
flat angles P-C4'-P energy: -9.757
tors. eta vs tors. theta energy: -7.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 202
Temperature: 1.300000
Total energy: -97.748341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.748341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.748341 (E_RNA)
where:
Base-Base interactions energy: -37.869
where: short stacking energy: -22.758
Base-Backbone interact. energy: 0.022
local terms energy: -59.900731
where:
bonds (distance) C4'-P energy: -16.934
bonds (distance) P-C4' energy: -11.060
flat angles C4'-P-C4' energy: -18.284
flat angles P-C4'-P energy: -9.064
tors. eta vs tors. theta energy: -4.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 202
Temperature: 1.350000
Total energy: -86.330097 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.330097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.330097 (E_RNA)
where:
Base-Base interactions energy: -24.884
where: short stacking energy: -22.138
Base-Backbone interact. energy: -0.366
local terms energy: -61.080376
where:
bonds (distance) C4'-P energy: -19.645
bonds (distance) P-C4' energy: -14.904
flat angles C4'-P-C4' energy: -16.534
flat angles P-C4'-P energy: -12.878
tors. eta vs tors. theta energy: 2.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 203
Temperature: 0.900000
Total energy: -284.322503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.322503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.322503 (E_RNA)
where:
Base-Base interactions energy: -193.654
where: short stacking energy: -84.761
Base-Backbone interact. energy: -0.087
local terms energy: -90.581866
where:
bonds (distance) C4'-P energy: -17.480
bonds (distance) P-C4' energy: -19.428
flat angles C4'-P-C4' energy: -17.424
flat angles P-C4'-P energy: -14.015
tors. eta vs tors. theta energy: -22.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 203
Temperature: 0.950000
Total energy: -286.510327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.510327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.510327 (E_RNA)
where:
Base-Base interactions energy: -196.064
where: short stacking energy: -72.905
Base-Backbone interact. energy: -0.023
local terms energy: -90.423166
where:
bonds (distance) C4'-P energy: -17.905
bonds (distance) P-C4' energy: -16.567
flat angles C4'-P-C4' energy: -20.337
flat angles P-C4'-P energy: -16.154
tors. eta vs tors. theta energy: -19.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 2
=====================================
Write number: 203
Temperature: 1.000000
Total energy: -282.912155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.912155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.912155 (E_RNA)
where:
Base-Base interactions energy: -195.515
where: short stacking energy: -75.816
Base-Backbone interact. energy: -0.175
local terms energy: -87.222401
where:
bonds (distance) C4'-P energy: -18.523
bonds (distance) P-C4' energy: -15.165
flat angles C4'-P-C4' energy: -17.239
flat angles P-C4'-P energy: -11.483
tors. eta vs tors. theta energy: -24.813
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 203
Temperature: 1.050000
Total energy: -272.594051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.594051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.594051 (E_RNA)
where:
Base-Base interactions energy: -191.779
where: short stacking energy: -77.754
Base-Backbone interact. energy: 2.020
local terms energy: -82.834583
where:
bonds (distance) C4'-P energy: -14.730
bonds (distance) P-C4' energy: -18.748
flat angles C4'-P-C4' energy: -14.263
flat angles P-C4'-P energy: -12.389
tors. eta vs tors. theta energy: -22.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 203
Temperature: 1.100000
Total energy: -247.715517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.715517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.715517 (E_RNA)
where:
Base-Base interactions energy: -171.600
where: short stacking energy: -68.239
Base-Backbone interact. energy: -0.514
local terms energy: -75.601431
where:
bonds (distance) C4'-P energy: -16.743
bonds (distance) P-C4' energy: -9.598
flat angles C4'-P-C4' energy: -17.031
flat angles P-C4'-P energy: -11.100
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: 6, replica: 7
=====================================
Write number: 203
Temperature: 1.150000
Total energy: -270.055897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.055897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.055897 (E_RNA)
where:
Base-Base interactions energy: -188.879
where: short stacking energy: -75.427
Base-Backbone interact. energy: 0.360
local terms energy: -81.536028
where:
bonds (distance) C4'-P energy: -12.460
bonds (distance) P-C4' energy: -14.111
flat angles C4'-P-C4' energy: -16.617
flat angles P-C4'-P energy: -14.233
tors. eta vs tors. theta energy: -24.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 203
Temperature: 1.200000
Total energy: -186.859567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.859567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.859567 (E_RNA)
where:
Base-Base interactions energy: -123.437
where: short stacking energy: -49.194
Base-Backbone interact. energy: -2.175
local terms energy: -61.247773
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -15.969
flat angles C4'-P-C4' energy: -14.287
flat angles P-C4'-P energy: -11.181
tors. eta vs tors. theta energy: -6.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 203
Temperature: 1.250000
Total energy: -159.491949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.491949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.491949 (E_RNA)
where:
Base-Base interactions energy: -101.000
where: short stacking energy: -44.360
Base-Backbone interact. energy: -0.567
local terms energy: -57.924172
where:
bonds (distance) C4'-P energy: -9.696
bonds (distance) P-C4' energy: -15.384
flat angles C4'-P-C4' energy: -16.594
flat angles P-C4'-P energy: -9.505
tors. eta vs tors. theta energy: -6.745
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 203
Temperature: 1.300000
Total energy: -92.141294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.141294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.141294 (E_RNA)
where:
Base-Base interactions energy: -38.920
where: short stacking energy: -27.699
Base-Backbone interact. energy: -0.775
local terms energy: -52.446747
where:
bonds (distance) C4'-P energy: -18.495
bonds (distance) P-C4' energy: -11.552
flat angles C4'-P-C4' energy: -9.874
flat angles P-C4'-P energy: -10.450
tors. eta vs tors. theta energy: -2.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 203
Temperature: 1.350000
Total energy: -82.586804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.586804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.586804 (E_RNA)
where:
Base-Base interactions energy: -31.556
where: short stacking energy: -23.845
Base-Backbone interact. energy: -0.541
local terms energy: -50.490167
where:
bonds (distance) C4'-P energy: -11.117
bonds (distance) P-C4' energy: -14.329
flat angles C4'-P-C4' energy: -14.595
flat angles P-C4'-P energy: -9.867
tors. eta vs tors. theta energy: -0.581
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 204
Temperature: 0.900000
Total energy: -282.859100 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.859100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.859100 (E_RNA)
where:
Base-Base interactions energy: -197.424
where: short stacking energy: -77.413
Base-Backbone interact. energy: -0.398
local terms energy: -85.037537
where:
bonds (distance) C4'-P energy: -15.988
bonds (distance) P-C4' energy: -17.380
flat angles C4'-P-C4' energy: -18.578
flat angles P-C4'-P energy: -12.675
tors. eta vs tors. theta energy: -20.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 204
Temperature: 0.950000
Total energy: -276.877815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.877815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.877815 (E_RNA)
where:
Base-Base interactions energy: -188.641
where: short stacking energy: -73.370
Base-Backbone interact. energy: -0.322
local terms energy: -87.915024
where:
bonds (distance) C4'-P energy: -17.694
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -17.049
flat angles P-C4'-P energy: -12.479
tors. eta vs tors. theta energy: -22.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 204
Temperature: 1.000000
Total energy: -281.436886 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.436886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.436886 (E_RNA)
where:
Base-Base interactions energy: -191.992
where: short stacking energy: -76.298
Base-Backbone interact. energy: -1.181
local terms energy: -88.263507
where:
bonds (distance) C4'-P energy: -15.774
bonds (distance) P-C4' energy: -19.739
flat angles C4'-P-C4' energy: -17.487
flat angles P-C4'-P energy: -10.087
tors. eta vs tors. theta energy: -25.176
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 204
Temperature: 1.050000
Total energy: -275.727452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.727452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.727452 (E_RNA)
where:
Base-Base interactions energy: -187.238
where: short stacking energy: -81.085
Base-Backbone interact. energy: -0.404
local terms energy: -88.086114
where:
bonds (distance) C4'-P energy: -15.626
bonds (distance) P-C4' energy: -20.133
flat angles C4'-P-C4' energy: -17.873
flat angles P-C4'-P energy: -10.193
tors. eta vs tors. theta energy: -24.261
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 204
Temperature: 1.100000
Total energy: -255.572359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.572359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.572359 (E_RNA)
where:
Base-Base interactions energy: -168.001
where: short stacking energy: -69.949
Base-Backbone interact. energy: -0.076
local terms energy: -87.495665
where:
bonds (distance) C4'-P energy: -16.194
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -18.833
flat angles P-C4'-P energy: -9.882
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: 6, replica: 7
=====================================
Write number: 204
Temperature: 1.150000
Total energy: -260.213344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.213344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.213344 (E_RNA)
where:
Base-Base interactions energy: -183.400
where: short stacking energy: -72.444
Base-Backbone interact. energy: -0.516
local terms energy: -76.297550
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -13.444
flat angles C4'-P-C4' energy: -17.268
flat angles P-C4'-P energy: -9.579
tors. eta vs tors. theta energy: -22.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 204
Temperature: 1.200000
Total energy: -181.175051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.175051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.175051 (E_RNA)
where:
Base-Base interactions energy: -115.786
where: short stacking energy: -42.705
Base-Backbone interact. energy: -0.429
local terms energy: -64.959725
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -14.096
flat angles C4'-P-C4' energy: -15.145
flat angles P-C4'-P energy: -11.257
tors. eta vs tors. theta energy: -8.878
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: 8
=====================================
Write number: 204
Temperature: 1.250000
Total energy: -158.447280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.447280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.447280 (E_RNA)
where:
Base-Base interactions energy: -90.629
where: short stacking energy: -48.198
Base-Backbone interact. energy: -0.012
local terms energy: -67.805714
where:
bonds (distance) C4'-P energy: -15.891
bonds (distance) P-C4' energy: -14.918
flat angles C4'-P-C4' energy: -15.852
flat angles P-C4'-P energy: -8.572
tors. eta vs tors. theta energy: -12.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 204
Temperature: 1.300000
Total energy: -85.075306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.075306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.075306 (E_RNA)
where:
Base-Base interactions energy: -31.242
where: short stacking energy: -25.079
Base-Backbone interact. energy: -1.033
local terms energy: -52.801180
where:
bonds (distance) C4'-P energy: -16.018
bonds (distance) P-C4' energy: -15.678
flat angles C4'-P-C4' energy: -11.965
flat angles P-C4'-P energy: -9.803
tors. eta vs tors. theta energy: 0.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 204
Temperature: 1.350000
Total energy: -83.158542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.158542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.158542 (E_RNA)
where:
Base-Base interactions energy: -27.357
where: short stacking energy: -26.581
Base-Backbone interact. energy: -0.146
local terms energy: -55.655558
where:
bonds (distance) C4'-P energy: -17.466
bonds (distance) P-C4' energy: -13.931
flat angles C4'-P-C4' energy: -14.427
flat angles P-C4'-P energy: -13.045
tors. eta vs tors. theta energy: 3.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 205
Temperature: 0.900000
Total energy: -282.107993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.107993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.107993 (E_RNA)
where:
Base-Base interactions energy: -199.928
where: short stacking energy: -73.140
Base-Backbone interact. energy: -0.691
local terms energy: -81.489061
where:
bonds (distance) C4'-P energy: -9.767
bonds (distance) P-C4' energy: -17.420
flat angles C4'-P-C4' energy: -19.867
flat angles P-C4'-P energy: -11.928
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: 2, replica: 5
=====================================
Write number: 205
Temperature: 0.950000
Total energy: -287.445536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.445536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.445536 (E_RNA)
where:
Base-Base interactions energy: -193.882
where: short stacking energy: -74.874
Base-Backbone interact. energy: -0.976
local terms energy: -92.586683
where:
bonds (distance) C4'-P energy: -17.895
bonds (distance) P-C4' energy: -19.443
flat angles C4'-P-C4' energy: -18.134
flat angles P-C4'-P energy: -10.847
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: 3, replica: 10
=====================================
Write number: 205
Temperature: 1.000000
Total energy: -284.476844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.476844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.476844 (E_RNA)
where:
Base-Base interactions energy: -189.698
where: short stacking energy: -87.341
Base-Backbone interact. energy: -0.001
local terms energy: -94.777862
where:
bonds (distance) C4'-P energy: -18.949
bonds (distance) P-C4' energy: -15.601
flat angles C4'-P-C4' energy: -18.748
flat angles P-C4'-P energy: -16.795
tors. eta vs tors. theta energy: -24.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 205
Temperature: 1.050000
Total energy: -267.399635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.399635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.399635 (E_RNA)
where:
Base-Base interactions energy: -179.629
where: short stacking energy: -73.799
Base-Backbone interact. energy: -0.129
local terms energy: -87.641534
where:
bonds (distance) C4'-P energy: -16.702
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -14.620
flat angles P-C4'-P energy: -16.403
tors. eta vs tors. theta energy: -23.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 205
Temperature: 1.100000
Total energy: -275.092482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.092482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.092482 (E_RNA)
where:
Base-Base interactions energy: -201.171
where: short stacking energy: -79.207
Base-Backbone interact. energy: -0.909
local terms energy: -73.012388
where:
bonds (distance) C4'-P energy: -15.736
bonds (distance) P-C4' energy: -11.626
flat angles C4'-P-C4' energy: -11.630
flat angles P-C4'-P energy: -13.530
tors. eta vs tors. theta energy: -20.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 205
Temperature: 1.150000
Total energy: -267.337504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.337504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.337504 (E_RNA)
where:
Base-Base interactions energy: -176.974
where: short stacking energy: -75.288
Base-Backbone interact. energy: -0.011
local terms energy: -90.352181
where:
bonds (distance) C4'-P energy: -16.719
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -17.632
flat angles P-C4'-P energy: -14.423
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: 6
=====================================
Write number: 205
Temperature: 1.200000
Total energy: -147.999592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.999592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.999592 (E_RNA)
where:
Base-Base interactions energy: -84.899
where: short stacking energy: -43.821
Base-Backbone interact. energy: -0.551
local terms energy: -62.549430
where:
bonds (distance) C4'-P energy: -15.488
bonds (distance) P-C4' energy: -13.811
flat angles C4'-P-C4' energy: -15.349
flat angles P-C4'-P energy: -11.507
tors. eta vs tors. theta energy: -6.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 205
Temperature: 1.250000
Total energy: -156.734397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.734397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.734397 (E_RNA)
where:
Base-Base interactions energy: -89.307
where: short stacking energy: -39.877
Base-Backbone interact. energy: -0.118
local terms energy: -67.309354
where:
bonds (distance) C4'-P energy: -14.154
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -17.831
flat angles P-C4'-P energy: -10.573
tors. eta vs tors. theta energy: -8.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 205
Temperature: 1.300000
Total energy: -97.737771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.737771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.737771 (E_RNA)
where:
Base-Base interactions energy: -36.384
where: short stacking energy: -36.084
Base-Backbone interact. energy: -0.040
local terms energy: -61.313486
where:
bonds (distance) C4'-P energy: -19.868
bonds (distance) P-C4' energy: -9.802
flat angles C4'-P-C4' energy: -18.353
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -3.669
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 205
Temperature: 1.350000
Total energy: -84.020363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.020363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.020363 (E_RNA)
where:
Base-Base interactions energy: -39.307
where: short stacking energy: -25.838
Base-Backbone interact. energy: -1.320
local terms energy: -43.393063
where:
bonds (distance) C4'-P energy: -12.864
bonds (distance) P-C4' energy: -12.630
flat angles C4'-P-C4' energy: -16.456
flat angles P-C4'-P energy: -3.898
tors. eta vs tors. theta energy: 2.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 206
Temperature: 0.900000
Total energy: -288.128506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.128506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.128506 (E_RNA)
where:
Base-Base interactions energy: -193.179
where: short stacking energy: -79.616
Base-Backbone interact. energy: -0.564
local terms energy: -94.385572
where:
bonds (distance) C4'-P energy: -19.476
bonds (distance) P-C4' energy: -20.707
flat angles C4'-P-C4' energy: -18.413
flat angles P-C4'-P energy: -7.659
tors. eta vs tors. theta energy: -28.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 206
Temperature: 0.950000
Total energy: -278.731414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.731414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.731414 (E_RNA)
where:
Base-Base interactions energy: -188.573
where: short stacking energy: -66.110
Base-Backbone interact. energy: -0.369
local terms energy: -89.789323
where:
bonds (distance) C4'-P energy: -17.588
bonds (distance) P-C4' energy: -15.452
flat angles C4'-P-C4' energy: -19.244
flat angles P-C4'-P energy: -15.016
tors. eta vs tors. theta energy: -22.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 206
Temperature: 1.000000
Total energy: -279.611860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.611860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.611860 (E_RNA)
where:
Base-Base interactions energy: -195.375
where: short stacking energy: -81.386
Base-Backbone interact. energy: -0.012
local terms energy: -84.225049
where:
bonds (distance) C4'-P energy: -17.273
bonds (distance) P-C4' energy: -16.953
flat angles C4'-P-C4' energy: -13.288
flat angles P-C4'-P energy: -12.373
tors. eta vs tors. theta energy: -24.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 2
=====================================
Write number: 206
Temperature: 1.050000
Total energy: -269.925257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.925257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.925257 (E_RNA)
where:
Base-Base interactions energy: -189.055
where: short stacking energy: -72.067
Base-Backbone interact. energy: -0.037
local terms energy: -80.833246
where:
bonds (distance) C4'-P energy: -11.213
bonds (distance) P-C4' energy: -19.201
flat angles C4'-P-C4' energy: -16.761
flat angles P-C4'-P energy: -13.521
tors. eta vs tors. theta energy: -20.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 206
Temperature: 1.100000
Total energy: -269.215568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.215568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.215568 (E_RNA)
where:
Base-Base interactions energy: -195.489
where: short stacking energy: -62.008
Base-Backbone interact. energy: -0.410
local terms energy: -73.316856
where:
bonds (distance) C4'-P energy: -12.078
bonds (distance) P-C4' energy: -12.884
flat angles C4'-P-C4' energy: -16.852
flat angles P-C4'-P energy: -14.253
tors. eta vs tors. theta energy: -17.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 206
Temperature: 1.150000
Total energy: -259.873018 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.873018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.873018 (E_RNA)
where:
Base-Base interactions energy: -171.382
where: short stacking energy: -71.899
Base-Backbone interact. energy: -0.256
local terms energy: -88.234251
where:
bonds (distance) C4'-P energy: -19.214
bonds (distance) P-C4' energy: -17.841
flat angles C4'-P-C4' energy: -19.789
flat angles P-C4'-P energy: -12.401
tors. eta vs tors. theta energy: -18.990
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 206
Temperature: 1.200000
Total energy: -162.095223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.095223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.095223 (E_RNA)
where:
Base-Base interactions energy: -90.394
where: short stacking energy: -50.425
Base-Backbone interact. energy: -0.159
local terms energy: -71.542618
where:
bonds (distance) C4'-P energy: -15.787
bonds (distance) P-C4' energy: -19.231
flat angles C4'-P-C4' energy: -17.090
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: -10.618
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: 8, replica: 6
=====================================
Write number: 206
Temperature: 1.250000
Total energy: -195.270845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.270845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.270845 (E_RNA)
where:
Base-Base interactions energy: -129.794
where: short stacking energy: -51.478
Base-Backbone interact. energy: -0.050
local terms energy: -65.426343
where:
bonds (distance) C4'-P energy: -15.761
bonds (distance) P-C4' energy: -14.078
flat angles C4'-P-C4' energy: -14.621
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -11.719
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: 1
=====================================
Write number: 206
Temperature: 1.300000
Total energy: -89.614650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.614650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.614650 (E_RNA)
where:
Base-Base interactions energy: -28.915
where: short stacking energy: -27.700
Base-Backbone interact. energy: -0.152
local terms energy: -60.546998
where:
bonds (distance) C4'-P energy: -16.200
bonds (distance) P-C4' energy: -11.383
flat angles C4'-P-C4' energy: -16.403
flat angles P-C4'-P energy: -8.880
tors. eta vs tors. theta energy: -7.681
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: 10, replica: 9
=====================================
Write number: 206
Temperature: 1.350000
Total energy: -92.897612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.897612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.897612 (E_RNA)
where:
Base-Base interactions energy: -39.602
where: short stacking energy: -25.002
Base-Backbone interact. energy: 0.253
local terms energy: -53.548291
where:
bonds (distance) C4'-P energy: -15.281
bonds (distance) P-C4' energy: -16.420
flat angles C4'-P-C4' energy: -11.778
flat angles P-C4'-P energy: -3.232
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: 1, replica: 5
=====================================
Write number: 207
Temperature: 0.900000
Total energy: -288.865244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.865244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.865244 (E_RNA)
where:
Base-Base interactions energy: -191.574
where: short stacking energy: -80.168
Base-Backbone interact. energy: -0.101
local terms energy: -97.189674
where:
bonds (distance) C4'-P energy: -20.001
bonds (distance) P-C4' energy: -19.479
flat angles C4'-P-C4' energy: -20.256
flat angles P-C4'-P energy: -15.340
tors. eta vs tors. theta energy: -22.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 207
Temperature: 0.950000
Total energy: -282.135859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.135859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.135859 (E_RNA)
where:
Base-Base interactions energy: -192.372
where: short stacking energy: -76.161
Base-Backbone interact. energy: -0.206
local terms energy: -89.558575
where:
bonds (distance) C4'-P energy: -19.360
bonds (distance) P-C4' energy: -19.943
flat angles C4'-P-C4' energy: -18.844
flat angles P-C4'-P energy: -13.420
tors. eta vs tors. theta energy: -17.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 207
Temperature: 1.000000
Total energy: -280.572263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.572263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.572263 (E_RNA)
where:
Base-Base interactions energy: -198.501
where: short stacking energy: -78.709
Base-Backbone interact. energy: -0.114
local terms energy: -81.957523
where:
bonds (distance) C4'-P energy: -15.016
bonds (distance) P-C4' energy: -17.004
flat angles C4'-P-C4' energy: -16.101
flat angles P-C4'-P energy: -12.763
tors. eta vs tors. theta energy: -21.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 207
Temperature: 1.050000
Total energy: -275.487846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.487846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.487846 (E_RNA)
where:
Base-Base interactions energy: -185.719
where: short stacking energy: -67.297
Base-Backbone interact. energy: -0.670
local terms energy: -89.098919
where:
bonds (distance) C4'-P energy: -19.405
bonds (distance) P-C4' energy: -13.707
flat angles C4'-P-C4' energy: -20.208
flat angles P-C4'-P energy: -14.692
tors. eta vs tors. theta energy: -21.087
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: 2
=====================================
Write number: 207
Temperature: 1.100000
Total energy: -274.569293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.569293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.569293 (E_RNA)
where:
Base-Base interactions energy: -183.852
where: short stacking energy: -71.703
Base-Backbone interact. energy: -0.093
local terms energy: -90.624107
where:
bonds (distance) C4'-P energy: -17.534
bonds (distance) P-C4' energy: -17.217
flat angles C4'-P-C4' energy: -16.548
flat angles P-C4'-P energy: -16.336
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: 6, replica: 7
=====================================
Write number: 207
Temperature: 1.150000
Total energy: -260.859446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.859446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.859446 (E_RNA)
where:
Base-Base interactions energy: -177.159
where: short stacking energy: -70.454
Base-Backbone interact. energy: -0.146
local terms energy: -83.554759
where:
bonds (distance) C4'-P energy: -15.600
bonds (distance) P-C4' energy: -18.247
flat angles C4'-P-C4' energy: -15.050
flat angles P-C4'-P energy: -8.208
tors. eta vs tors. theta energy: -26.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 207
Temperature: 1.200000
Total energy: -180.228847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.228847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.228847 (E_RNA)
where:
Base-Base interactions energy: -118.290
where: short stacking energy: -49.292
Base-Backbone interact. energy: 0.628
local terms energy: -62.566531
where:
bonds (distance) C4'-P energy: -13.576
bonds (distance) P-C4' energy: -17.701
flat angles C4'-P-C4' energy: -11.883
flat angles P-C4'-P energy: -10.517
tors. eta vs tors. theta energy: -8.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 207
Temperature: 1.250000
Total energy: -187.699350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.699350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.699350 (E_RNA)
where:
Base-Base interactions energy: -119.905
where: short stacking energy: -58.808
Base-Backbone interact. energy: -0.050
local terms energy: -67.744241
where:
bonds (distance) C4'-P energy: -17.112
bonds (distance) P-C4' energy: -9.448
flat angles C4'-P-C4' energy: -14.428
flat angles P-C4'-P energy: -12.215
tors. eta vs tors. theta energy: -14.541
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: 1
=====================================
Write number: 207
Temperature: 1.300000
Total energy: -88.471507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.471507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.471507 (E_RNA)
where:
Base-Base interactions energy: -29.426
where: short stacking energy: -29.426
Base-Backbone interact. energy: 0.201
local terms energy: -59.247206
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -11.506
flat angles C4'-P-C4' energy: -10.739
flat angles P-C4'-P energy: -13.912
tors. eta vs tors. theta energy: -6.447
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: 9
=====================================
Write number: 207
Temperature: 1.350000
Total energy: -87.867397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.867397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.867397 (E_RNA)
where:
Base-Base interactions energy: -33.439
where: short stacking energy: -27.009
Base-Backbone interact. energy: 0.080
local terms energy: -54.507731
where:
bonds (distance) C4'-P energy: -13.729
bonds (distance) P-C4' energy: -14.819
flat angles C4'-P-C4' energy: -17.218
flat angles P-C4'-P energy: -6.517
tors. eta vs tors. theta energy: -2.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 208
Temperature: 0.900000
Total energy: -280.331989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.331989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.331989 (E_RNA)
where:
Base-Base interactions energy: -190.917
where: short stacking energy: -72.330
Base-Backbone interact. energy: -1.010
local terms energy: -88.404366
where:
bonds (distance) C4'-P energy: -16.693
bonds (distance) P-C4' energy: -15.522
flat angles C4'-P-C4' energy: -20.988
flat angles P-C4'-P energy: -14.252
tors. eta vs tors. theta energy: -20.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 208
Temperature: 0.950000
Total energy: -281.600479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.600479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.600479 (E_RNA)
where:
Base-Base interactions energy: -188.877
where: short stacking energy: -71.924
Base-Backbone interact. energy: -1.466
local terms energy: -91.256599
where:
bonds (distance) C4'-P energy: -16.945
bonds (distance) P-C4' energy: -17.695
flat angles C4'-P-C4' energy: -21.721
flat angles P-C4'-P energy: -12.548
tors. eta vs tors. theta energy: -22.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 208
Temperature: 1.000000
Total energy: -281.609017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.609017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.609017 (E_RNA)
where:
Base-Base interactions energy: -193.896
where: short stacking energy: -76.081
Base-Backbone interact. energy: 0.898
local terms energy: -88.611396
where:
bonds (distance) C4'-P energy: -13.812
bonds (distance) P-C4' energy: -17.854
flat angles C4'-P-C4' energy: -17.409
flat angles P-C4'-P energy: -14.699
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: 4, replica: 4
=====================================
Write number: 208
Temperature: 1.050000
Total energy: -277.546941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.546941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.546941 (E_RNA)
where:
Base-Base interactions energy: -184.417
where: short stacking energy: -73.184
Base-Backbone interact. energy: -0.235
local terms energy: -92.895616
where:
bonds (distance) C4'-P energy: -17.795
bonds (distance) P-C4' energy: -20.479
flat angles C4'-P-C4' energy: -17.894
flat angles P-C4'-P energy: -14.119
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: 5, replica: 7
=====================================
Write number: 208
Temperature: 1.100000
Total energy: -266.423445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.423445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.423445 (E_RNA)
where:
Base-Base interactions energy: -185.559
where: short stacking energy: -74.050
Base-Backbone interact. energy: -0.801
local terms energy: -80.063324
where:
bonds (distance) C4'-P energy: -14.914
bonds (distance) P-C4' energy: -15.846
flat angles C4'-P-C4' energy: -15.555
flat angles P-C4'-P energy: -10.871
tors. eta vs tors. theta energy: -22.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 208
Temperature: 1.150000
Total energy: -268.010297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.010297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.010297 (E_RNA)
where:
Base-Base interactions energy: -183.205
where: short stacking energy: -73.979
Base-Backbone interact. energy: -0.143
local terms energy: -84.662854
where:
bonds (distance) C4'-P energy: -9.499
bonds (distance) P-C4' energy: -20.094
flat angles C4'-P-C4' energy: -17.483
flat angles P-C4'-P energy: -13.759
tors. eta vs tors. theta energy: -23.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 208
Temperature: 1.200000
Total energy: -188.585937 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.585937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.585937 (E_RNA)
where:
Base-Base interactions energy: -117.298
where: short stacking energy: -58.886
Base-Backbone interact. energy: -0.276
local terms energy: -71.012271
where:
bonds (distance) C4'-P energy: -19.832
bonds (distance) P-C4' energy: -13.105
flat angles C4'-P-C4' energy: -16.290
flat angles P-C4'-P energy: -10.137
tors. eta vs tors. theta energy: -11.649
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: 8
=====================================
Write number: 208
Temperature: 1.250000
Total energy: -174.419766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.419766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.419766 (E_RNA)
where:
Base-Base interactions energy: -122.890
where: short stacking energy: -48.526
Base-Backbone interact. energy: 0.502
local terms energy: -52.031472
where:
bonds (distance) C4'-P energy: -4.882
bonds (distance) P-C4' energy: -13.613
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -11.361
tors. eta vs tors. theta energy: -7.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 208
Temperature: 1.300000
Total energy: -96.423891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.423891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.423891 (E_RNA)
where:
Base-Base interactions energy: -29.301
where: short stacking energy: -25.060
Base-Backbone interact. energy: -0.162
local terms energy: -66.961486
where:
bonds (distance) C4'-P energy: -20.577
bonds (distance) P-C4' energy: -17.271
flat angles C4'-P-C4' energy: -14.723
flat angles P-C4'-P energy: -11.667
tors. eta vs tors. theta energy: -2.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 208
Temperature: 1.350000
Total energy: -92.377111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.377111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.377111 (E_RNA)
where:
Base-Base interactions energy: -29.190
where: short stacking energy: -25.907
Base-Backbone interact. energy: 1.934
local terms energy: -65.121347
where:
bonds (distance) C4'-P energy: -18.259
bonds (distance) P-C4' energy: -19.161
flat angles C4'-P-C4' energy: -11.387
flat angles P-C4'-P energy: -13.044
tors. eta vs tors. theta energy: -3.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 209
Temperature: 0.900000
Total energy: -288.855544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.855544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.855544 (E_RNA)
where:
Base-Base interactions energy: -198.138
where: short stacking energy: -83.306
Base-Backbone interact. energy: -0.833
local terms energy: -89.884395
where:
bonds (distance) C4'-P energy: -18.644
bonds (distance) P-C4' energy: -15.580
flat angles C4'-P-C4' energy: -16.449
flat angles P-C4'-P energy: -13.688
tors. eta vs tors. theta energy: -25.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 209
Temperature: 0.950000
Total energy: -288.438820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.438820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.438820 (E_RNA)
where:
Base-Base interactions energy: -197.218
where: short stacking energy: -80.646
Base-Backbone interact. energy: -0.012
local terms energy: -91.208341
where:
bonds (distance) C4'-P energy: -14.459
bonds (distance) P-C4' energy: -18.401
flat angles C4'-P-C4' energy: -18.596
flat angles P-C4'-P energy: -16.219
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: 3, replica: 10
=====================================
Write number: 209
Temperature: 1.000000
Total energy: -276.675104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.675104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.675104 (E_RNA)
where:
Base-Base interactions energy: -186.017
where: short stacking energy: -78.882
Base-Backbone interact. energy: -0.188
local terms energy: -90.470370
where:
bonds (distance) C4'-P energy: -13.046
bonds (distance) P-C4' energy: -18.849
flat angles C4'-P-C4' energy: -19.357
flat angles P-C4'-P energy: -12.765
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: 4
=====================================
Write number: 209
Temperature: 1.050000
Total energy: -269.803167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.803167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.803167 (E_RNA)
where:
Base-Base interactions energy: -182.776
where: short stacking energy: -71.771
Base-Backbone interact. energy: -0.345
local terms energy: -86.681853
where:
bonds (distance) C4'-P energy: -15.049
bonds (distance) P-C4' energy: -19.428
flat angles C4'-P-C4' energy: -19.937
flat angles P-C4'-P energy: -12.182
tors. eta vs tors. theta energy: -20.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 209
Temperature: 1.100000
Total energy: -269.220263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.220263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.220263 (E_RNA)
where:
Base-Base interactions energy: -174.199
where: short stacking energy: -72.066
Base-Backbone interact. energy: -0.521
local terms energy: -94.499688
where:
bonds (distance) C4'-P energy: -17.736
bonds (distance) P-C4' energy: -13.429
flat angles C4'-P-C4' energy: -20.254
flat angles P-C4'-P energy: -16.973
tors. eta vs tors. theta energy: -26.108
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: 6
=====================================
Write number: 209
Temperature: 1.150000
Total energy: -204.678750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.678750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.678750 (E_RNA)
where:
Base-Base interactions energy: -133.446
where: short stacking energy: -54.644
Base-Backbone interact. energy: -0.550
local terms energy: -70.682510
where:
bonds (distance) C4'-P energy: -14.615
bonds (distance) P-C4' energy: -11.837
flat angles C4'-P-C4' energy: -16.378
flat angles P-C4'-P energy: -13.237
tors. eta vs tors. theta energy: -14.615
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: 2
=====================================
Write number: 209
Temperature: 1.200000
Total energy: -255.817600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.817600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.817600 (E_RNA)
where:
Base-Base interactions energy: -179.136
where: short stacking energy: -68.552
Base-Backbone interact. energy: -0.006
local terms energy: -76.675997
where:
bonds (distance) C4'-P energy: -6.608
bonds (distance) P-C4' energy: -14.957
flat angles C4'-P-C4' energy: -19.150
flat angles P-C4'-P energy: -12.632
tors. eta vs tors. theta energy: -23.329
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: 209
Temperature: 1.250000
Total energy: -89.816880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.816880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.816880 (E_RNA)
where:
Base-Base interactions energy: -26.858
where: short stacking energy: -26.585
Base-Backbone interact. energy: 0.018
local terms energy: -62.976362
where:
bonds (distance) C4'-P energy: -16.837
bonds (distance) P-C4' energy: -19.775
flat angles C4'-P-C4' energy: -18.732
flat angles P-C4'-P energy: -6.144
tors. eta vs tors. theta energy: -1.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 209
Temperature: 1.300000
Total energy: -155.008605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.008605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.008605 (E_RNA)
where:
Base-Base interactions energy: -90.380
where: short stacking energy: -37.068
Base-Backbone interact. energy: 0.955
local terms energy: -65.583274
where:
bonds (distance) C4'-P energy: -18.340
bonds (distance) P-C4' energy: -17.039
flat angles C4'-P-C4' energy: -16.546
flat angles P-C4'-P energy: -8.662
tors. eta vs tors. theta energy: -4.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 209
Temperature: 1.350000
Total energy: -78.915213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.915213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.915213 (E_RNA)
where:
Base-Base interactions energy: -23.215
where: short stacking energy: -20.329
Base-Backbone interact. energy: 0.572
local terms energy: -56.272579
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -14.458
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -10.584
tors. eta vs tors. theta energy: -2.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 210
Temperature: 0.900000
Total energy: -291.250890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.250890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.250890 (E_RNA)
where:
Base-Base interactions energy: -201.607
where: short stacking energy: -83.204
Base-Backbone interact. energy: -0.329
local terms energy: -89.315337
where:
bonds (distance) C4'-P energy: -15.078
bonds (distance) P-C4' energy: -16.798
flat angles C4'-P-C4' energy: -17.659
flat angles P-C4'-P energy: -14.710
tors. eta vs tors. theta energy: -25.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 210
Temperature: 0.950000
Total energy: -279.813480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.813480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.813480 (E_RNA)
where:
Base-Base interactions energy: -190.081
where: short stacking energy: -80.732
Base-Backbone interact. energy: -0.321
local terms energy: -89.412083
where:
bonds (distance) C4'-P energy: -15.601
bonds (distance) P-C4' energy: -18.923
flat angles C4'-P-C4' energy: -18.422
flat angles P-C4'-P energy: -14.593
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: 3, replica: 4
=====================================
Write number: 210
Temperature: 1.000000
Total energy: -278.864293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.864293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.864293 (E_RNA)
where:
Base-Base interactions energy: -188.251
where: short stacking energy: -68.090
Base-Backbone interact. energy: -1.236
local terms energy: -89.378016
where:
bonds (distance) C4'-P energy: -15.827
bonds (distance) P-C4' energy: -17.350
flat angles C4'-P-C4' energy: -20.281
flat angles P-C4'-P energy: -13.695
tors. eta vs tors. theta energy: -22.225
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: 4, replica: 10
=====================================
Write number: 210
Temperature: 1.050000
Total energy: -275.931810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.931810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.931810 (E_RNA)
where:
Base-Base interactions energy: -186.702
where: short stacking energy: -69.813
Base-Backbone interact. energy: -1.115
local terms energy: -88.114073
where:
bonds (distance) C4'-P energy: -14.710
bonds (distance) P-C4' energy: -13.754
flat angles C4'-P-C4' energy: -17.412
flat angles P-C4'-P energy: -17.002
tors. eta vs tors. theta energy: -25.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 210
Temperature: 1.100000
Total energy: -253.685127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.685127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.685127 (E_RNA)
where:
Base-Base interactions energy: -178.204
where: short stacking energy: -66.163
Base-Backbone interact. energy: -0.147
local terms energy: -75.334120
where:
bonds (distance) C4'-P energy: -14.303
bonds (distance) P-C4' energy: -19.488
flat angles C4'-P-C4' energy: -15.744
flat angles P-C4'-P energy: -5.076
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: 6
=====================================
Write number: 210
Temperature: 1.150000
Total energy: -197.999222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.999222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.999222 (E_RNA)
where:
Base-Base interactions energy: -131.572
where: short stacking energy: -59.153
Base-Backbone interact. energy: -1.030
local terms energy: -65.397757
where:
bonds (distance) C4'-P energy: -9.930
bonds (distance) P-C4' energy: -17.962
flat angles C4'-P-C4' energy: -16.529
flat angles P-C4'-P energy: -10.368
tors. eta vs tors. theta energy: -10.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 210
Temperature: 1.200000
Total energy: -254.486499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.486499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.486499 (E_RNA)
where:
Base-Base interactions energy: -170.830
where: short stacking energy: -65.012
Base-Backbone interact. energy: 0.431
local terms energy: -84.087224
where:
bonds (distance) C4'-P energy: -18.184
bonds (distance) P-C4' energy: -16.758
flat angles C4'-P-C4' energy: -16.327
flat angles P-C4'-P energy: -11.434
tors. eta vs tors. theta energy: -21.383
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: 9
=====================================
Write number: 210
Temperature: 1.250000
Total energy: -93.754079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.754079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.754079 (E_RNA)
where:
Base-Base interactions energy: -34.146
where: short stacking energy: -24.668
Base-Backbone interact. energy: -0.114
local terms energy: -59.494610
where:
bonds (distance) C4'-P energy: -14.196
bonds (distance) P-C4' energy: -17.152
flat angles C4'-P-C4' energy: -17.011
flat angles P-C4'-P energy: -8.300
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: 9, replica: 8
=====================================
Write number: 210
Temperature: 1.300000
Total energy: -132.866809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.866809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.866809 (E_RNA)
where:
Base-Base interactions energy: -77.752
where: short stacking energy: -36.625
Base-Backbone interact. energy: 1.005
local terms energy: -56.119992
where:
bonds (distance) C4'-P energy: -12.474
bonds (distance) P-C4' energy: -16.491
flat angles C4'-P-C4' energy: -12.880
flat angles P-C4'-P energy: -11.748
tors. eta vs tors. theta energy: -2.526
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: 1
=====================================
Write number: 210
Temperature: 1.350000
Total energy: -101.544922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.544922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.544922 (E_RNA)
where:
Base-Base interactions energy: -43.897
where: short stacking energy: -33.140
Base-Backbone interact. energy: -0.242
local terms energy: -57.406245
where:
bonds (distance) C4'-P energy: -15.953
bonds (distance) P-C4' energy: -17.377
flat angles C4'-P-C4' energy: -11.299
flat angles P-C4'-P energy: -5.289
tors. eta vs tors. theta energy: -7.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 211
Temperature: 0.900000
Total energy: -289.642264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.642264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.642264 (E_RNA)
where:
Base-Base interactions energy: -195.888
where: short stacking energy: -79.230
Base-Backbone interact. energy: -0.097
local terms energy: -93.657636
where:
bonds (distance) C4'-P energy: -18.822
bonds (distance) P-C4' energy: -17.997
flat angles C4'-P-C4' energy: -17.265
flat angles P-C4'-P energy: -13.035
tors. eta vs tors. theta energy: -26.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 211
Temperature: 0.950000
Total energy: -287.598153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.598153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.598153 (E_RNA)
where:
Base-Base interactions energy: -196.624
where: short stacking energy: -81.266
Base-Backbone interact. energy: -0.004
local terms energy: -90.970486
where:
bonds (distance) C4'-P energy: -19.512
bonds (distance) P-C4' energy: -14.568
flat angles C4'-P-C4' energy: -20.047
flat angles P-C4'-P energy: -10.976
tors. eta vs tors. theta energy: -25.867
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: 3, replica: 3
=====================================
Write number: 211
Temperature: 1.000000
Total energy: -284.091803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.091803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.091803 (E_RNA)
where:
Base-Base interactions energy: -201.845
where: short stacking energy: -75.730
Base-Backbone interact. energy: -0.491
local terms energy: -81.755583
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -14.018
flat angles C4'-P-C4' energy: -19.098
flat angles P-C4'-P energy: -15.120
tors. eta vs tors. theta energy: -18.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 211
Temperature: 1.050000
Total energy: -276.130570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.130570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.130570 (E_RNA)
where:
Base-Base interactions energy: -187.402
where: short stacking energy: -81.396
Base-Backbone interact. energy: -0.000
local terms energy: -88.728835
where:
bonds (distance) C4'-P energy: -14.660
bonds (distance) P-C4' energy: -15.158
flat angles C4'-P-C4' energy: -22.137
flat angles P-C4'-P energy: -12.157
tors. eta vs tors. theta energy: -24.617
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 211
Temperature: 1.100000
Total energy: -260.955868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.955868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.955868 (E_RNA)
where:
Base-Base interactions energy: -184.458
where: short stacking energy: -74.042
Base-Backbone interact. energy: -0.673
local terms energy: -75.824092
where:
bonds (distance) C4'-P energy: -7.209
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -17.255
flat angles P-C4'-P energy: -13.833
tors. eta vs tors. theta energy: -20.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 211
Temperature: 1.150000
Total energy: -266.481606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.481606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.481606 (E_RNA)
where:
Base-Base interactions energy: -179.148
where: short stacking energy: -70.042
Base-Backbone interact. energy: 0.022
local terms energy: -87.356074
where:
bonds (distance) C4'-P energy: -16.038
bonds (distance) P-C4' energy: -18.720
flat angles C4'-P-C4' energy: -16.516
flat angles P-C4'-P energy: -13.837
tors. eta vs tors. theta energy: -22.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 211
Temperature: 1.200000
Total energy: -189.983646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.983646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.983646 (E_RNA)
where:
Base-Base interactions energy: -112.915
where: short stacking energy: -48.322
Base-Backbone interact. energy: -0.532
local terms energy: -76.536519
where:
bonds (distance) C4'-P energy: -18.685
bonds (distance) P-C4' energy: -16.518
flat angles C4'-P-C4' energy: -17.987
flat angles P-C4'-P energy: -10.884
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: 8
=====================================
Write number: 211
Temperature: 1.250000
Total energy: -163.895267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.895267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.895267 (E_RNA)
where:
Base-Base interactions energy: -94.348
where: short stacking energy: -46.486
Base-Backbone interact. energy: -0.922
local terms energy: -68.625172
where:
bonds (distance) C4'-P energy: -15.999
bonds (distance) P-C4' energy: -13.694
flat angles C4'-P-C4' energy: -17.112
flat angles P-C4'-P energy: -12.301
tors. eta vs tors. theta energy: -9.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 211
Temperature: 1.300000
Total energy: -88.670905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.670905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.670905 (E_RNA)
where:
Base-Base interactions energy: -37.947
where: short stacking energy: -30.289
Base-Backbone interact. energy: -0.045
local terms energy: -50.679472
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -14.747
flat angles C4'-P-C4' energy: -11.459
flat angles P-C4'-P energy: -7.808
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: 1
=====================================
Write number: 211
Temperature: 1.350000
Total energy: -87.118256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.118256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.118256 (E_RNA)
where:
Base-Base interactions energy: -36.819
where: short stacking energy: -24.455
Base-Backbone interact. energy: -0.190
local terms energy: -50.109111
where:
bonds (distance) C4'-P energy: -6.841
bonds (distance) P-C4' energy: -13.628
flat angles C4'-P-C4' energy: -14.279
flat angles P-C4'-P energy: -11.611
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: 1, replica: 4
=====================================
Write number: 212
Temperature: 0.900000
Total energy: -297.066419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.066419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.066419 (E_RNA)
where:
Base-Base interactions energy: -203.708
where: short stacking energy: -85.216
Base-Backbone interact. energy: -0.213
local terms energy: -93.145623
where:
bonds (distance) C4'-P energy: -17.792
bonds (distance) P-C4' energy: -20.000
flat angles C4'-P-C4' energy: -18.285
flat angles P-C4'-P energy: -13.227
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: 2, replica: 5
=====================================
Write number: 212
Temperature: 0.950000
Total energy: -286.981567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.981567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.981567 (E_RNA)
where:
Base-Base interactions energy: -190.463
where: short stacking energy: -79.835
Base-Backbone interact. energy: -0.514
local terms energy: -96.005271
where:
bonds (distance) C4'-P energy: -14.482
bonds (distance) P-C4' energy: -19.303
flat angles C4'-P-C4' energy: -19.420
flat angles P-C4'-P energy: -15.041
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: 3, replica: 3
=====================================
Write number: 212
Temperature: 1.000000
Total energy: -273.063787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.063787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.063787 (E_RNA)
where:
Base-Base interactions energy: -183.353
where: short stacking energy: -76.877
Base-Backbone interact. energy: 0.466
local terms energy: -90.176840
where:
bonds (distance) C4'-P energy: -14.726
bonds (distance) P-C4' energy: -18.548
flat angles C4'-P-C4' energy: -18.659
flat angles P-C4'-P energy: -10.846
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: 4, replica: 10
=====================================
Write number: 212
Temperature: 1.050000
Total energy: -271.205879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.205879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.205879 (E_RNA)
where:
Base-Base interactions energy: -186.361
where: short stacking energy: -81.033
Base-Backbone interact. energy: -0.634
local terms energy: -84.211602
where:
bonds (distance) C4'-P energy: -16.164
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -16.237
flat angles P-C4'-P energy: -11.856
tors. eta vs tors. theta energy: -23.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 212
Temperature: 1.100000
Total energy: -262.276361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.276361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.276361 (E_RNA)
where:
Base-Base interactions energy: -189.872
where: short stacking energy: -64.972
Base-Backbone interact. energy: -0.589
local terms energy: -71.815254
where:
bonds (distance) C4'-P energy: -14.152
bonds (distance) P-C4' energy: -19.202
flat angles C4'-P-C4' energy: -8.319
flat angles P-C4'-P energy: -6.588
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: 6, replica: 2
=====================================
Write number: 212
Temperature: 1.150000
Total energy: -260.250977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.250977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.250977 (E_RNA)
where:
Base-Base interactions energy: -185.046
where: short stacking energy: -67.199
Base-Backbone interact. energy: -0.161
local terms energy: -75.044757
where:
bonds (distance) C4'-P energy: -17.127
bonds (distance) P-C4' energy: -14.465
flat angles C4'-P-C4' energy: -14.986
flat angles P-C4'-P energy: -10.291
tors. eta vs tors. theta energy: -18.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 212
Temperature: 1.200000
Total energy: -188.461237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.461237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.461237 (E_RNA)
where:
Base-Base interactions energy: -121.416
where: short stacking energy: -49.590
Base-Backbone interact. energy: -0.174
local terms energy: -66.871087
where:
bonds (distance) C4'-P energy: -17.110
bonds (distance) P-C4' energy: -16.867
flat angles C4'-P-C4' energy: -11.940
flat angles P-C4'-P energy: -11.168
tors. eta vs tors. theta energy: -9.785
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: 212
Temperature: 1.250000
Total energy: -156.786842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.786842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.786842 (E_RNA)
where:
Base-Base interactions energy: -97.857
where: short stacking energy: -37.477
Base-Backbone interact. energy: -0.103
local terms energy: -58.826756
where:
bonds (distance) C4'-P energy: -14.424
bonds (distance) P-C4' energy: -16.412
flat angles C4'-P-C4' energy: -13.889
flat angles P-C4'-P energy: -3.671
tors. eta vs tors. theta energy: -10.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 212
Temperature: 1.300000
Total energy: -101.485310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.485310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.485310 (E_RNA)
where:
Base-Base interactions energy: -45.676
where: short stacking energy: -29.581
Base-Backbone interact. energy: -0.297
local terms energy: -55.511999
where:
bonds (distance) C4'-P energy: -12.267
bonds (distance) P-C4' energy: -13.669
flat angles C4'-P-C4' energy: -17.151
flat angles P-C4'-P energy: -11.584
tors. eta vs tors. theta energy: -0.841
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 212
Temperature: 1.350000
Total energy: -89.332600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.332600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.332600 (E_RNA)
where:
Base-Base interactions energy: -42.553
where: short stacking energy: -25.629
Base-Backbone interact. energy: -0.533
local terms energy: -46.246810
where:
bonds (distance) C4'-P energy: -13.825
bonds (distance) P-C4' energy: -18.943
flat angles C4'-P-C4' energy: -8.074
flat angles P-C4'-P energy: -5.004
tors. eta vs tors. theta energy: -0.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 213
Temperature: 0.900000
Total energy: -283.491801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.491801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.491801 (E_RNA)
where:
Base-Base interactions energy: -191.834
where: short stacking energy: -78.905
Base-Backbone interact. energy: 0.413
local terms energy: -92.070425
where:
bonds (distance) C4'-P energy: -17.546
bonds (distance) P-C4' energy: -19.431
flat angles C4'-P-C4' energy: -14.011
flat angles P-C4'-P energy: -14.717
tors. eta vs tors. theta energy: -26.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 213
Temperature: 0.950000
Total energy: -284.386218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.386218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.386218 (E_RNA)
where:
Base-Base interactions energy: -191.275
where: short stacking energy: -73.218
Base-Backbone interact. energy: -0.126
local terms energy: -92.985518
where:
bonds (distance) C4'-P energy: -20.626
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -18.718
flat angles P-C4'-P energy: -16.281
tors. eta vs tors. theta energy: -20.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 213
Temperature: 1.000000
Total energy: -276.981216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.981216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.981216 (E_RNA)
where:
Base-Base interactions energy: -184.571
where: short stacking energy: -77.525
Base-Backbone interact. energy: -0.091
local terms energy: -92.319320
where:
bonds (distance) C4'-P energy: -15.889
bonds (distance) P-C4' energy: -18.862
flat angles C4'-P-C4' energy: -18.518
flat angles P-C4'-P energy: -14.758
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: 4, replica: 10
=====================================
Write number: 213
Temperature: 1.050000
Total energy: -266.389988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.389988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.389988 (E_RNA)
where:
Base-Base interactions energy: -188.917
where: short stacking energy: -82.793
Base-Backbone interact. energy: -0.102
local terms energy: -77.370568
where:
bonds (distance) C4'-P energy: -13.721
bonds (distance) P-C4' energy: -14.219
flat angles C4'-P-C4' energy: -17.557
flat angles P-C4'-P energy: -7.964
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: 5, replica: 7
=====================================
Write number: 213
Temperature: 1.100000
Total energy: -272.567463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.567463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.567463 (E_RNA)
where:
Base-Base interactions energy: -185.853
where: short stacking energy: -72.097
Base-Backbone interact. energy: -0.018
local terms energy: -86.695749
where:
bonds (distance) C4'-P energy: -17.025
bonds (distance) P-C4' energy: -14.722
flat angles C4'-P-C4' energy: -19.879
flat angles P-C4'-P energy: -15.887
tors. eta vs tors. theta energy: -19.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 213
Temperature: 1.150000
Total energy: -266.340654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.340654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.340654 (E_RNA)
where:
Base-Base interactions energy: -178.140
where: short stacking energy: -66.206
Base-Backbone interact. energy: -0.133
local terms energy: -88.067673
where:
bonds (distance) C4'-P energy: -17.667
bonds (distance) P-C4' energy: -16.992
flat angles C4'-P-C4' energy: -18.197
flat angles P-C4'-P energy: -12.585
tors. eta vs tors. theta energy: -22.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 213
Temperature: 1.200000
Total energy: -182.851263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.851263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.851263 (E_RNA)
where:
Base-Base interactions energy: -111.218
where: short stacking energy: -57.567
Base-Backbone interact. energy: -0.109
local terms energy: -71.524283
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -14.540
flat angles C4'-P-C4' energy: -18.426
flat angles P-C4'-P energy: -8.827
tors. eta vs tors. theta energy: -14.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 213
Temperature: 1.250000
Total energy: -156.123164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.123164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.123164 (E_RNA)
where:
Base-Base interactions energy: -90.489
where: short stacking energy: -45.923
Base-Backbone interact. energy: -0.293
local terms energy: -65.340981
where:
bonds (distance) C4'-P energy: -10.520
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -17.343
flat angles P-C4'-P energy: -11.979
tors. eta vs tors. theta energy: -8.902
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 213
Temperature: 1.300000
Total energy: -90.476703 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.476703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.476703 (E_RNA)
where:
Base-Base interactions energy: -39.348
where: short stacking energy: -28.845
Base-Backbone interact. energy: -0.394
local terms energy: -50.734930
where:
bonds (distance) C4'-P energy: -10.597
bonds (distance) P-C4' energy: -18.470
flat angles C4'-P-C4' energy: -12.279
flat angles P-C4'-P energy: -9.788
tors. eta vs tors. theta energy: 0.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 213
Temperature: 1.350000
Total energy: -90.200730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.200730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.200730 (E_RNA)
where:
Base-Base interactions energy: -27.819
where: short stacking energy: -27.819
Base-Backbone interact. energy: -0.112
local terms energy: -62.269323
where:
bonds (distance) C4'-P energy: -17.244
bonds (distance) P-C4' energy: -14.067
flat angles C4'-P-C4' energy: -15.430
flat angles P-C4'-P energy: -10.041
tors. eta vs tors. theta energy: -5.487
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 214
Temperature: 0.900000
Total energy: -285.549419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.549419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.549419 (E_RNA)
where:
Base-Base interactions energy: -194.482
where: short stacking energy: -77.823
Base-Backbone interact. energy: 0.975
local terms energy: -92.043032
where:
bonds (distance) C4'-P energy: -16.383
bonds (distance) P-C4' energy: -19.947
flat angles C4'-P-C4' energy: -20.095
flat angles P-C4'-P energy: -12.800
tors. eta vs tors. theta energy: -22.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 214
Temperature: 0.950000
Total energy: -282.105136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.105136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.105136 (E_RNA)
where:
Base-Base interactions energy: -191.033
where: short stacking energy: -72.226
Base-Backbone interact. energy: -0.028
local terms energy: -91.044618
where:
bonds (distance) C4'-P energy: -17.017
bonds (distance) P-C4' energy: -20.545
flat angles C4'-P-C4' energy: -15.268
flat angles P-C4'-P energy: -13.347
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: 3, replica: 10
=====================================
Write number: 214
Temperature: 1.000000
Total energy: -274.437057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.437057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.437057 (E_RNA)
where:
Base-Base interactions energy: -184.795
where: short stacking energy: -80.102
Base-Backbone interact. energy: -1.544
local terms energy: -88.098117
where:
bonds (distance) C4'-P energy: -17.530
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -18.859
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -23.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 214
Temperature: 1.050000
Total energy: -280.714503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.714503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.714503 (E_RNA)
where:
Base-Base interactions energy: -189.487
where: short stacking energy: -78.518
Base-Backbone interact. energy: -0.198
local terms energy: -91.028778
where:
bonds (distance) C4'-P energy: -15.799
bonds (distance) P-C4' energy: -16.249
flat angles C4'-P-C4' energy: -21.542
flat angles P-C4'-P energy: -13.786
tors. eta vs tors. theta energy: -23.652
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: 7
=====================================
Write number: 214
Temperature: 1.100000
Total energy: -274.368875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.368875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.368875 (E_RNA)
where:
Base-Base interactions energy: -198.697
where: short stacking energy: -75.600
Base-Backbone interact. energy: -0.216
local terms energy: -75.455687
where:
bonds (distance) C4'-P energy: -16.532
bonds (distance) P-C4' energy: -10.763
flat angles C4'-P-C4' energy: -15.872
flat angles P-C4'-P energy: -11.749
tors. eta vs tors. theta energy: -20.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 214
Temperature: 1.150000
Total energy: -222.882145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.882145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.882145 (E_RNA)
where:
Base-Base interactions energy: -149.759
where: short stacking energy: -55.914
Base-Backbone interact. energy: -0.190
local terms energy: -72.932798
where:
bonds (distance) C4'-P energy: -18.420
bonds (distance) P-C4' energy: -16.747
flat angles C4'-P-C4' energy: -12.376
flat angles P-C4'-P energy: -11.302
tors. eta vs tors. theta energy: -14.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 214
Temperature: 1.200000
Total energy: -190.852949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.852949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.852949 (E_RNA)
where:
Base-Base interactions energy: -128.663
where: short stacking energy: -55.544
Base-Backbone interact. energy: 0.755
local terms energy: -62.944717
where:
bonds (distance) C4'-P energy: -9.162
bonds (distance) P-C4' energy: -12.756
flat angles C4'-P-C4' energy: -18.309
flat angles P-C4'-P energy: -10.795
tors. eta vs tors. theta energy: -11.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 214
Temperature: 1.250000
Total energy: -186.021184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.021184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.021184 (E_RNA)
where:
Base-Base interactions energy: -127.275
where: short stacking energy: -55.134
Base-Backbone interact. energy: -0.463
local terms energy: -58.283823
where:
bonds (distance) C4'-P energy: -16.933
bonds (distance) P-C4' energy: -8.971
flat angles C4'-P-C4' energy: -11.891
flat angles P-C4'-P energy: -9.829
tors. eta vs tors. theta energy: -10.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 214
Temperature: 1.300000
Total energy: -93.885554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.885554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.885554 (E_RNA)
where:
Base-Base interactions energy: -35.581
where: short stacking energy: -35.198
Base-Backbone interact. energy: 0.302
local terms energy: -58.607077
where:
bonds (distance) C4'-P energy: -11.656
bonds (distance) P-C4' energy: -18.960
flat angles C4'-P-C4' energy: -13.748
flat angles P-C4'-P energy: -12.678
tors. eta vs tors. theta energy: -1.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 214
Temperature: 1.350000
Total energy: -81.573991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.573991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.573991 (E_RNA)
where:
Base-Base interactions energy: -38.004
where: short stacking energy: -28.240
Base-Backbone interact. energy: -0.197
local terms energy: -43.373206
where:
bonds (distance) C4'-P energy: -10.946
bonds (distance) P-C4' energy: -10.735
flat angles C4'-P-C4' energy: -17.412
flat angles P-C4'-P energy: -6.798
tors. eta vs tors. theta energy: 2.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 215
Temperature: 0.900000
Total energy: -286.280237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.280237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.280237 (E_RNA)
where:
Base-Base interactions energy: -202.268
where: short stacking energy: -74.713
Base-Backbone interact. energy: -0.052
local terms energy: -83.959961
where:
bonds (distance) C4'-P energy: -16.734
bonds (distance) P-C4' energy: -17.727
flat angles C4'-P-C4' energy: -17.933
flat angles P-C4'-P energy: -12.532
tors. eta vs tors. theta energy: -19.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 215
Temperature: 0.950000
Total energy: -286.051921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.051921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.051921 (E_RNA)
where:
Base-Base interactions energy: -195.839
where: short stacking energy: -73.467
Base-Backbone interact. energy: -1.422
local terms energy: -88.790929
where:
bonds (distance) C4'-P energy: -16.517
bonds (distance) P-C4' energy: -15.992
flat angles C4'-P-C4' energy: -17.900
flat angles P-C4'-P energy: -11.483
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: 3, replica: 4
=====================================
Write number: 215
Temperature: 1.000000
Total energy: -280.101465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.101465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.101465 (E_RNA)
where:
Base-Base interactions energy: -187.106
where: short stacking energy: -71.713
Base-Backbone interact. energy: -0.009
local terms energy: -92.986838
where:
bonds (distance) C4'-P energy: -19.632
bonds (distance) P-C4' energy: -18.971
flat angles C4'-P-C4' energy: -18.848
flat angles P-C4'-P energy: -15.557
tors. eta vs tors. theta energy: -19.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 215
Temperature: 1.050000
Total energy: -276.727628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.727628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.727628 (E_RNA)
where:
Base-Base interactions energy: -189.443
where: short stacking energy: -74.020
Base-Backbone interact. energy: 0.220
local terms energy: -87.504693
where:
bonds (distance) C4'-P energy: -15.265
bonds (distance) P-C4' energy: -18.929
flat angles C4'-P-C4' energy: -17.917
flat angles P-C4'-P energy: -13.772
tors. eta vs tors. theta energy: -21.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 215
Temperature: 1.100000
Total energy: -269.148757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.148757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.148757 (E_RNA)
where:
Base-Base interactions energy: -188.757
where: short stacking energy: -77.504
Base-Backbone interact. energy: -1.029
local terms energy: -79.362623
where:
bonds (distance) C4'-P energy: -12.708
bonds (distance) P-C4' energy: -12.038
flat angles C4'-P-C4' energy: -20.548
flat angles P-C4'-P energy: -12.317
tors. eta vs tors. theta energy: -21.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 215
Temperature: 1.150000
Total energy: -207.693938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.693938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.693938 (E_RNA)
where:
Base-Base interactions energy: -128.694
where: short stacking energy: -53.331
Base-Backbone interact. energy: -0.360
local terms energy: -78.640113
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -16.073
flat angles C4'-P-C4' energy: -18.404
flat angles P-C4'-P energy: -14.640
tors. eta vs tors. theta energy: -14.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 215
Temperature: 1.200000
Total energy: -175.827481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.827481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.827481 (E_RNA)
where:
Base-Base interactions energy: -104.551
where: short stacking energy: -54.386
Base-Backbone interact. energy: -0.073
local terms energy: -71.203087
where:
bonds (distance) C4'-P energy: -12.373
bonds (distance) P-C4' energy: -16.800
flat angles C4'-P-C4' energy: -16.167
flat angles P-C4'-P energy: -12.609
tors. eta vs tors. theta energy: -13.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 215
Temperature: 1.250000
Total energy: -166.241597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.241597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.241597 (E_RNA)
where:
Base-Base interactions energy: -115.945
where: short stacking energy: -46.970
Base-Backbone interact. energy: -0.803
local terms energy: -49.493657
where:
bonds (distance) C4'-P energy: -8.868
bonds (distance) P-C4' energy: -18.044
flat angles C4'-P-C4' energy: -11.350
flat angles P-C4'-P energy: -7.277
tors. eta vs tors. theta energy: -3.955
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 215
Temperature: 1.300000
Total energy: -85.252797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.252797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.252797 (E_RNA)
where:
Base-Base interactions energy: -33.017
where: short stacking energy: -28.128
Base-Backbone interact. energy: 3.545
local terms energy: -55.780971
where:
bonds (distance) C4'-P energy: -14.487
bonds (distance) P-C4' energy: -20.302
flat angles C4'-P-C4' energy: -14.096
flat angles P-C4'-P energy: -8.515
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: 10, replica: 1
=====================================
Write number: 215
Temperature: 1.350000
Total energy: -96.131991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.131991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.131991 (E_RNA)
where:
Base-Base interactions energy: -34.627
where: short stacking energy: -25.431
Base-Backbone interact. energy: 2.804
local terms energy: -64.309036
where:
bonds (distance) C4'-P energy: -16.441
bonds (distance) P-C4' energy: -16.961
flat angles C4'-P-C4' energy: -12.611
flat angles P-C4'-P energy: -10.443
tors. eta vs tors. theta energy: -7.854
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: 10
=====================================
Write number: 216
Temperature: 0.900000
Total energy: -287.213266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.213266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.213266 (E_RNA)
where:
Base-Base interactions energy: -197.365
where: short stacking energy: -85.139
Base-Backbone interact. energy: -0.346
local terms energy: -89.502014
where:
bonds (distance) C4'-P energy: -13.398
bonds (distance) P-C4' energy: -19.500
flat angles C4'-P-C4' energy: -18.511
flat angles P-C4'-P energy: -14.156
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: 3
=====================================
Write number: 216
Temperature: 0.950000
Total energy: -286.397509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.397509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.397509 (E_RNA)
where:
Base-Base interactions energy: -192.365
where: short stacking energy: -71.918
Base-Backbone interact. energy: -0.194
local terms energy: -93.838855
where:
bonds (distance) C4'-P energy: -19.044
bonds (distance) P-C4' energy: -20.638
flat angles C4'-P-C4' energy: -17.585
flat angles P-C4'-P energy: -11.808
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: 3, replica: 4
=====================================
Write number: 216
Temperature: 1.000000
Total energy: -278.264067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.264067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.264067 (E_RNA)
where:
Base-Base interactions energy: -184.545
where: short stacking energy: -76.525
Base-Backbone interact. energy: -0.291
local terms energy: -93.428112
where:
bonds (distance) C4'-P energy: -19.885
bonds (distance) P-C4' energy: -16.141
flat angles C4'-P-C4' energy: -18.493
flat angles P-C4'-P energy: -12.371
tors. eta vs tors. theta energy: -26.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 216
Temperature: 1.050000
Total energy: -266.317496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.317496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.317496 (E_RNA)
where:
Base-Base interactions energy: -177.057
where: short stacking energy: -70.907
Base-Backbone interact. energy: -0.257
local terms energy: -89.003505
where:
bonds (distance) C4'-P energy: -17.381
bonds (distance) P-C4' energy: -21.293
flat angles C4'-P-C4' energy: -18.745
flat angles P-C4'-P energy: -8.230
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: 5, replica: 7
=====================================
Write number: 216
Temperature: 1.100000
Total energy: -266.683285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.683285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.683285 (E_RNA)
where:
Base-Base interactions energy: -185.818
where: short stacking energy: -78.512
Base-Backbone interact. energy: 0.358
local terms energy: -81.223108
where:
bonds (distance) C4'-P energy: -13.737
bonds (distance) P-C4' energy: -17.933
flat angles C4'-P-C4' energy: -17.158
flat angles P-C4'-P energy: -12.078
tors. eta vs tors. theta energy: -20.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 216
Temperature: 1.150000
Total energy: -202.935527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.935527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.935527 (E_RNA)
where:
Base-Base interactions energy: -131.558
where: short stacking energy: -54.364
Base-Backbone interact. energy: -0.267
local terms energy: -71.109815
where:
bonds (distance) C4'-P energy: -13.034
bonds (distance) P-C4' energy: -18.316
flat angles C4'-P-C4' energy: -14.972
flat angles P-C4'-P energy: -10.158
tors. eta vs tors. theta energy: -14.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 216
Temperature: 1.200000
Total energy: -191.186652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.186652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.186652 (E_RNA)
where:
Base-Base interactions energy: -119.994
where: short stacking energy: -54.294
Base-Backbone interact. energy: 1.240
local terms energy: -72.431860
where:
bonds (distance) C4'-P energy: -18.576
bonds (distance) P-C4' energy: -15.215
flat angles C4'-P-C4' energy: -17.188
flat angles P-C4'-P energy: -8.288
tors. eta vs tors. theta energy: -13.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 216
Temperature: 1.250000
Total energy: -145.817712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.817712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.817712 (E_RNA)
where:
Base-Base interactions energy: -76.696
where: short stacking energy: -32.877
Base-Backbone interact. energy: -0.391
local terms energy: -68.730199
where:
bonds (distance) C4'-P energy: -16.640
bonds (distance) P-C4' energy: -21.572
flat angles C4'-P-C4' energy: -13.860
flat angles P-C4'-P energy: -13.021
tors. eta vs tors. theta energy: -3.638
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 216
Temperature: 1.300000
Total energy: -90.430599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.430599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.430599 (E_RNA)
where:
Base-Base interactions energy: -37.100
where: short stacking energy: -37.100
Base-Backbone interact. energy: -0.139
local terms energy: -53.191396
where:
bonds (distance) C4'-P energy: -12.458
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -11.247
flat angles P-C4'-P energy: -7.073
tors. eta vs tors. theta energy: -5.377
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: 9
=====================================
Write number: 216
Temperature: 1.350000
Total energy: -88.694288 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.694288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.694288 (E_RNA)
where:
Base-Base interactions energy: -30.067
where: short stacking energy: -16.553
Base-Backbone interact. energy: -3.086
local terms energy: -55.541605
where:
bonds (distance) C4'-P energy: -14.858
bonds (distance) P-C4' energy: -19.027
flat angles C4'-P-C4' energy: -13.339
flat angles P-C4'-P energy: -8.091
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: 1, replica: 10
=====================================
Write number: 217
Temperature: 0.900000
Total energy: -283.765005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.765005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.765005 (E_RNA)
where:
Base-Base interactions energy: -192.011
where: short stacking energy: -77.361
Base-Backbone interact. energy: -0.012
local terms energy: -91.742059
where:
bonds (distance) C4'-P energy: -19.772
bonds (distance) P-C4' energy: -19.475
flat angles C4'-P-C4' energy: -15.128
flat angles P-C4'-P energy: -13.252
tors. eta vs tors. theta energy: -24.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 217
Temperature: 0.950000
Total energy: -288.418787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.418787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.418787 (E_RNA)
where:
Base-Base interactions energy: -191.374
where: short stacking energy: -85.250
Base-Backbone interact. energy: -0.219
local terms energy: -96.825840
where:
bonds (distance) C4'-P energy: -16.568
bonds (distance) P-C4' energy: -18.226
flat angles C4'-P-C4' energy: -22.015
flat angles P-C4'-P energy: -15.945
tors. eta vs tors. theta energy: -24.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 217
Temperature: 1.000000
Total energy: -279.378274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.378274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.378274 (E_RNA)
where:
Base-Base interactions energy: -189.076
where: short stacking energy: -71.813
Base-Backbone interact. energy: -0.897
local terms energy: -89.405252
where:
bonds (distance) C4'-P energy: -15.120
bonds (distance) P-C4' energy: -19.982
flat angles C4'-P-C4' energy: -18.833
flat angles P-C4'-P energy: -14.024
tors. eta vs tors. theta energy: -21.446
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 217
Temperature: 1.050000
Total energy: -273.707111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.707111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.707111 (E_RNA)
where:
Base-Base interactions energy: -187.011
where: short stacking energy: -71.579
Base-Backbone interact. energy: -0.705
local terms energy: -85.991135
where:
bonds (distance) C4'-P energy: -15.146
bonds (distance) P-C4' energy: -18.152
flat angles C4'-P-C4' energy: -18.438
flat angles P-C4'-P energy: -12.234
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: 7
=====================================
Write number: 217
Temperature: 1.100000
Total energy: -265.487184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.487184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.487184 (E_RNA)
where:
Base-Base interactions energy: -182.198
where: short stacking energy: -70.115
Base-Backbone interact. energy: -0.406
local terms energy: -82.883261
where:
bonds (distance) C4'-P energy: -19.538
bonds (distance) P-C4' energy: -14.924
flat angles C4'-P-C4' energy: -18.493
flat angles P-C4'-P energy: -7.149
tors. eta vs tors. theta energy: -22.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 217
Temperature: 1.150000
Total energy: -194.174852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.174852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.174852 (E_RNA)
where:
Base-Base interactions energy: -120.878
where: short stacking energy: -47.333
Base-Backbone interact. energy: -1.095
local terms energy: -72.201858
where:
bonds (distance) C4'-P energy: -17.087
bonds (distance) P-C4' energy: -12.252
flat angles C4'-P-C4' energy: -14.125
flat angles P-C4'-P energy: -14.668
tors. eta vs tors. theta energy: -14.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 217
Temperature: 1.200000
Total energy: -172.375492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.375492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.375492 (E_RNA)
where:
Base-Base interactions energy: -106.803
where: short stacking energy: -61.412
Base-Backbone interact. energy: 0.447
local terms energy: -66.019170
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -16.859
flat angles C4'-P-C4' energy: -14.441
flat angles P-C4'-P energy: -8.018
tors. eta vs tors. theta energy: -11.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 217
Temperature: 1.250000
Total energy: -159.272783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.272783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.272783 (E_RNA)
where:
Base-Base interactions energy: -103.498
where: short stacking energy: -36.539
Base-Backbone interact. energy: -0.678
local terms energy: -55.096007
where:
bonds (distance) C4'-P energy: -12.279
bonds (distance) P-C4' energy: -19.101
flat angles C4'-P-C4' energy: -17.322
flat angles P-C4'-P energy: -8.785
tors. eta vs tors. theta energy: 2.391
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: 1
=====================================
Write number: 217
Temperature: 1.300000
Total energy: -92.951556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.951556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.951556 (E_RNA)
where:
Base-Base interactions energy: -33.607
where: short stacking energy: -24.280
Base-Backbone interact. energy: -0.197
local terms energy: -59.147279
where:
bonds (distance) C4'-P energy: -18.457
bonds (distance) P-C4' energy: -18.114
flat angles C4'-P-C4' energy: -13.478
flat angles P-C4'-P energy: -6.667
tors. eta vs tors. theta energy: -2.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 217
Temperature: 1.350000
Total energy: -82.003568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.003568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.003568 (E_RNA)
where:
Base-Base interactions energy: -31.960
where: short stacking energy: -26.979
Base-Backbone interact. energy: -0.269
local terms energy: -49.774122
where:
bonds (distance) C4'-P energy: -14.133
bonds (distance) P-C4' energy: -10.796
flat angles C4'-P-C4' energy: -10.727
flat angles P-C4'-P energy: -8.183
tors. eta vs tors. theta energy: -5.934
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: 1, replica: 10
=====================================
Write number: 218
Temperature: 0.900000
Total energy: -293.522304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.522304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.522304 (E_RNA)
where:
Base-Base interactions energy: -195.896
where: short stacking energy: -79.397
Base-Backbone interact. energy: -1.383
local terms energy: -96.243178
where:
bonds (distance) C4'-P energy: -15.166
bonds (distance) P-C4' energy: -16.849
flat angles C4'-P-C4' energy: -16.536
flat angles P-C4'-P energy: -18.981
tors. eta vs tors. theta energy: -28.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 218
Temperature: 0.950000
Total energy: -282.540557 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.540557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.540557 (E_RNA)
where:
Base-Base interactions energy: -195.791
where: short stacking energy: -83.654
Base-Backbone interact. energy: -0.149
local terms energy: -86.599947
where:
bonds (distance) C4'-P energy: -19.637
bonds (distance) P-C4' energy: -15.489
flat angles C4'-P-C4' energy: -17.057
flat angles P-C4'-P energy: -9.666
tors. eta vs tors. theta energy: -24.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 218
Temperature: 1.000000
Total energy: -274.623131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.623131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.623131 (E_RNA)
where:
Base-Base interactions energy: -197.637
where: short stacking energy: -71.785
Base-Backbone interact. energy: 0.802
local terms energy: -77.788177
where:
bonds (distance) C4'-P energy: -16.959
bonds (distance) P-C4' energy: -17.405
flat angles C4'-P-C4' energy: -12.602
flat angles P-C4'-P energy: -11.162
tors. eta vs tors. theta energy: -19.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 218
Temperature: 1.050000
Total energy: -281.241900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.241900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.241900 (E_RNA)
where:
Base-Base interactions energy: -193.109
where: short stacking energy: -74.682
Base-Backbone interact. energy: -0.209
local terms energy: -87.923740
where:
bonds (distance) C4'-P energy: -16.175
bonds (distance) P-C4' energy: -20.542
flat angles C4'-P-C4' energy: -18.825
flat angles P-C4'-P energy: -11.928
tors. eta vs tors. theta energy: -20.454
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: 7
=====================================
Write number: 218
Temperature: 1.100000
Total energy: -265.158983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.158983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.158983 (E_RNA)
where:
Base-Base interactions energy: -179.644
where: short stacking energy: -77.877
Base-Backbone interact. energy: -0.126
local terms energy: -85.389540
where:
bonds (distance) C4'-P energy: -15.067
bonds (distance) P-C4' energy: -21.998
flat angles C4'-P-C4' energy: -14.673
flat angles P-C4'-P energy: -10.375
tors. eta vs tors. theta energy: -23.277
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: 6
=====================================
Write number: 218
Temperature: 1.150000
Total energy: -189.428232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.428232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.428232 (E_RNA)
where:
Base-Base interactions energy: -124.814
where: short stacking energy: -56.444
Base-Backbone interact. energy: -0.235
local terms energy: -64.378627
where:
bonds (distance) C4'-P energy: -10.907
bonds (distance) P-C4' energy: -19.280
flat angles C4'-P-C4' energy: -15.456
flat angles P-C4'-P energy: -10.781
tors. eta vs tors. theta energy: -7.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 218
Temperature: 1.200000
Total energy: -199.722797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.722797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.722797 (E_RNA)
where:
Base-Base interactions energy: -127.807
where: short stacking energy: -55.378
Base-Backbone interact. energy: -0.005
local terms energy: -71.910460
where:
bonds (distance) C4'-P energy: -10.036
bonds (distance) P-C4' energy: -18.607
flat angles C4'-P-C4' energy: -17.617
flat angles P-C4'-P energy: -12.255
tors. eta vs tors. theta energy: -13.396
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: 2
=====================================
Write number: 218
Temperature: 1.250000
Total energy: -162.290151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.290151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.290151 (E_RNA)
where:
Base-Base interactions energy: -92.049
where: short stacking energy: -49.368
Base-Backbone interact. energy: -0.298
local terms energy: -69.944063
where:
bonds (distance) C4'-P energy: -12.660
bonds (distance) P-C4' energy: -17.191
flat angles C4'-P-C4' energy: -19.641
flat angles P-C4'-P energy: -5.916
tors. eta vs tors. theta energy: -14.535
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 218
Temperature: 1.300000
Total energy: -91.624282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.624282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.624282 (E_RNA)
where:
Base-Base interactions energy: -30.973
where: short stacking energy: -26.638
Base-Backbone interact. energy: -0.138
local terms energy: -60.512981
where:
bonds (distance) C4'-P energy: -13.122
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -15.381
flat angles P-C4'-P energy: -11.634
tors. eta vs tors. theta energy: -2.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 218
Temperature: 1.350000
Total energy: -87.449163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.449163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.449163 (E_RNA)
where:
Base-Base interactions energy: -35.614
where: short stacking energy: -30.867
Base-Backbone interact. energy: 0.791
local terms energy: -52.626373
where:
bonds (distance) C4'-P energy: -12.850
bonds (distance) P-C4' energy: -13.651
flat angles C4'-P-C4' energy: -13.938
flat angles P-C4'-P energy: -8.625
tors. eta vs tors. theta energy: -3.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 219
Temperature: 0.900000
Total energy: -290.658612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.658612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.658612 (E_RNA)
where:
Base-Base interactions energy: -199.582
where: short stacking energy: -79.203
Base-Backbone interact. energy: -2.159
local terms energy: -88.917365
where:
bonds (distance) C4'-P energy: -12.180
bonds (distance) P-C4' energy: -21.032
flat angles C4'-P-C4' energy: -17.389
flat angles P-C4'-P energy: -13.797
tors. eta vs tors. theta energy: -24.519
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 219
Temperature: 0.950000
Total energy: -280.162671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.162671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.162671 (E_RNA)
where:
Base-Base interactions energy: -189.279
where: short stacking energy: -81.605
Base-Backbone interact. energy: -0.342
local terms energy: -90.542030
where:
bonds (distance) C4'-P energy: -16.900
bonds (distance) P-C4' energy: -16.199
flat angles C4'-P-C4' energy: -19.465
flat angles P-C4'-P energy: -13.581
tors. eta vs tors. theta energy: -24.397
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 219
Temperature: 1.000000
Total energy: -283.076526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.076526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.076526 (E_RNA)
where:
Base-Base interactions energy: -187.140
where: short stacking energy: -75.192
Base-Backbone interact. energy: -0.015
local terms energy: -95.921578
where:
bonds (distance) C4'-P energy: -16.399
bonds (distance) P-C4' energy: -19.520
flat angles C4'-P-C4' energy: -19.532
flat angles P-C4'-P energy: -16.939
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: 4, replica: 5
=====================================
Write number: 219
Temperature: 1.050000
Total energy: -271.504259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.504259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.504259 (E_RNA)
where:
Base-Base interactions energy: -180.682
where: short stacking energy: -79.782
Base-Backbone interact. energy: -0.003
local terms energy: -90.819265
where:
bonds (distance) C4'-P energy: -15.984
bonds (distance) P-C4' energy: -19.069
flat angles C4'-P-C4' energy: -18.496
flat angles P-C4'-P energy: -13.364
tors. eta vs tors. theta energy: -23.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 219
Temperature: 1.100000
Total energy: -270.168442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.168442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.168442 (E_RNA)
where:
Base-Base interactions energy: -196.693
where: short stacking energy: -80.856
Base-Backbone interact. energy: -0.036
local terms energy: -73.439778
where:
bonds (distance) C4'-P energy: -15.472
bonds (distance) P-C4' energy: -8.066
flat angles C4'-P-C4' energy: -18.112
flat angles P-C4'-P energy: -6.894
tors. eta vs tors. theta energy: -24.895
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: 8
=====================================
Write number: 219
Temperature: 1.150000
Total energy: -210.517440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.517440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.517440 (E_RNA)
where:
Base-Base interactions energy: -134.434
where: short stacking energy: -58.433
Base-Backbone interact. energy: -0.330
local terms energy: -75.752626
where:
bonds (distance) C4'-P energy: -14.693
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -19.487
flat angles P-C4'-P energy: -10.392
tors. eta vs tors. theta energy: -17.030
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: 6
=====================================
Write number: 219
Temperature: 1.200000
Total energy: -188.807014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.807014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.807014 (E_RNA)
where:
Base-Base interactions energy: -122.863
where: short stacking energy: -42.047
Base-Backbone interact. energy: 0.490
local terms energy: -66.434157
where:
bonds (distance) C4'-P energy: -15.690
bonds (distance) P-C4' energy: -17.218
flat angles C4'-P-C4' energy: -15.126
flat angles P-C4'-P energy: -8.551
tors. eta vs tors. theta energy: -9.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 219
Temperature: 1.250000
Total energy: -152.808219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.808219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.808219 (E_RNA)
where:
Base-Base interactions energy: -101.108
where: short stacking energy: -39.689
Base-Backbone interact. energy: 0.237
local terms energy: -51.937270
where:
bonds (distance) C4'-P energy: -13.844
bonds (distance) P-C4' energy: -14.809
flat angles C4'-P-C4' energy: -9.529
flat angles P-C4'-P energy: -8.847
tors. eta vs tors. theta energy: -4.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 219
Temperature: 1.300000
Total energy: -94.698875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.698875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.698875 (E_RNA)
where:
Base-Base interactions energy: -33.317
where: short stacking energy: -33.017
Base-Backbone interact. energy: -0.359
local terms energy: -61.022825
where:
bonds (distance) C4'-P energy: -17.100
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -16.496
flat angles P-C4'-P energy: -12.000
tors. eta vs tors. theta energy: 1.008
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 219
Temperature: 1.350000
Total energy: -82.625441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.625441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.625441 (E_RNA)
where:
Base-Base interactions energy: -34.316
where: short stacking energy: -26.582
Base-Backbone interact. energy: -1.116
local terms energy: -47.193121
where:
bonds (distance) C4'-P energy: -11.392
bonds (distance) P-C4' energy: -10.621
flat angles C4'-P-C4' energy: -12.589
flat angles P-C4'-P energy: -10.636
tors. eta vs tors. theta energy: -1.956
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 220
Temperature: 0.900000
Total energy: -285.561992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.561992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.561992 (E_RNA)
where:
Base-Base interactions energy: -195.103
where: short stacking energy: -85.488
Base-Backbone interact. energy: -0.058
local terms energy: -90.400677
where:
bonds (distance) C4'-P energy: -18.971
bonds (distance) P-C4' energy: -20.530
flat angles C4'-P-C4' energy: -17.276
flat angles P-C4'-P energy: -11.612
tors. eta vs tors. theta energy: -22.012
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 220
Temperature: 0.950000
Total energy: -265.359200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.359200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.359200 (E_RNA)
where:
Base-Base interactions energy: -177.864
where: short stacking energy: -73.554
Base-Backbone interact. energy: -0.529
local terms energy: -86.966021
where:
bonds (distance) C4'-P energy: -20.770
bonds (distance) P-C4' energy: -17.902
flat angles C4'-P-C4' energy: -15.788
flat angles P-C4'-P energy: -15.054
tors. eta vs tors. theta energy: -17.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 220
Temperature: 1.000000
Total energy: -270.668155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.668155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.668155 (E_RNA)
where:
Base-Base interactions energy: -173.320
where: short stacking energy: -73.053
Base-Backbone interact. energy: -0.136
local terms energy: -97.211649
where:
bonds (distance) C4'-P energy: -19.811
bonds (distance) P-C4' energy: -16.951
flat angles C4'-P-C4' energy: -19.977
flat angles P-C4'-P energy: -15.099
tors. eta vs tors. theta energy: -25.373
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: 4
=====================================
Write number: 220
Temperature: 1.050000
Total energy: -260.031423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.031423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.031423 (E_RNA)
where:
Base-Base interactions energy: -177.157
where: short stacking energy: -70.785
Base-Backbone interact. energy: -0.055
local terms energy: -82.819704
where:
bonds (distance) C4'-P energy: -18.076
bonds (distance) P-C4' energy: -18.650
flat angles C4'-P-C4' energy: -17.062
flat angles P-C4'-P energy: -12.454
tors. eta vs tors. theta energy: -16.578
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: 5, replica: 7
=====================================
Write number: 220
Temperature: 1.100000
Total energy: -270.910361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.910361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.910361 (E_RNA)
where:
Base-Base interactions energy: -183.536
where: short stacking energy: -83.486
Base-Backbone interact. energy: -0.152
local terms energy: -87.221871
where:
bonds (distance) C4'-P energy: -14.274
bonds (distance) P-C4' energy: -19.459
flat angles C4'-P-C4' energy: -17.518
flat angles P-C4'-P energy: -8.221
tors. eta vs tors. theta energy: -27.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 220
Temperature: 1.150000
Total energy: -196.749471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.749471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.749471 (E_RNA)
where:
Base-Base interactions energy: -124.475
where: short stacking energy: -53.729
Base-Backbone interact. energy: -0.301
local terms energy: -71.973342
where:
bonds (distance) C4'-P energy: -15.313
bonds (distance) P-C4' energy: -16.671
flat angles C4'-P-C4' energy: -18.811
flat angles P-C4'-P energy: -10.327
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: 7, replica: 2
=====================================
Write number: 220
Temperature: 1.200000
Total energy: -178.783208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.783208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.783208 (E_RNA)
where:
Base-Base interactions energy: -106.720
where: short stacking energy: -51.164
Base-Backbone interact. energy: -0.103
local terms energy: -71.961116
where:
bonds (distance) C4'-P energy: -11.419
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -16.975
flat angles P-C4'-P energy: -15.399
tors. eta vs tors. theta energy: -12.508
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: 8, replica: 6
=====================================
Write number: 220
Temperature: 1.250000
Total energy: -189.201124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.201124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.201124 (E_RNA)
where:
Base-Base interactions energy: -121.828
where: short stacking energy: -50.472
Base-Backbone interact. energy: -0.685
local terms energy: -66.688970
where:
bonds (distance) C4'-P energy: -16.925
bonds (distance) P-C4' energy: -11.535
flat angles C4'-P-C4' energy: -13.733
flat angles P-C4'-P energy: -13.762
tors. eta vs tors. theta energy: -10.735
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: 9, replica: 1
=====================================
Write number: 220
Temperature: 1.300000
Total energy: -85.587176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.587176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.587176 (E_RNA)
where:
Base-Base interactions energy: -33.425
where: short stacking energy: -24.030
Base-Backbone interact. energy: -0.672
local terms energy: -51.490194
where:
bonds (distance) C4'-P energy: -16.453
bonds (distance) P-C4' energy: -16.388
flat angles C4'-P-C4' energy: -17.432
flat angles P-C4'-P energy: -9.503
tors. eta vs tors. theta energy: 8.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 220
Temperature: 1.350000
Total energy: -89.319463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.319463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.319463 (E_RNA)
where:
Base-Base interactions energy: -33.772
where: short stacking energy: -31.013
Base-Backbone interact. energy: -0.180
local terms energy: -55.367019
where:
bonds (distance) C4'-P energy: -13.709
bonds (distance) P-C4' energy: -13.492
flat angles C4'-P-C4' energy: -18.395
flat angles P-C4'-P energy: -7.576
tors. eta vs tors. theta energy: -2.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 221
Temperature: 0.900000
Total energy: -289.388872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.388872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.388872 (E_RNA)
where:
Base-Base interactions energy: -190.062
where: short stacking energy: -83.880
Base-Backbone interact. energy: -0.142
local terms energy: -99.184933
where:
bonds (distance) C4'-P energy: -20.412
bonds (distance) P-C4' energy: -20.710
flat angles C4'-P-C4' energy: -19.789
flat angles P-C4'-P energy: -12.625
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: 2, replica: 5
=====================================
Write number: 221
Temperature: 0.950000
Total energy: -288.646286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.646286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.646286 (E_RNA)
where:
Base-Base interactions energy: -192.456
where: short stacking energy: -77.732
Base-Backbone interact. energy: -0.003
local terms energy: -96.187283
where:
bonds (distance) C4'-P energy: -17.543
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -19.751
flat angles P-C4'-P energy: -13.492
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: 3
=====================================
Write number: 221
Temperature: 1.000000
Total energy: -274.296749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.296749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.296749 (E_RNA)
where:
Base-Base interactions energy: -184.867
where: short stacking energy: -76.962
Base-Backbone interact. energy: -0.070
local terms energy: -89.359575
where:
bonds (distance) C4'-P energy: -18.266
bonds (distance) P-C4' energy: -15.540
flat angles C4'-P-C4' energy: -19.552
flat angles P-C4'-P energy: -11.972
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: 7
=====================================
Write number: 221
Temperature: 1.050000
Total energy: -275.307035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.307035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.307035 (E_RNA)
where:
Base-Base interactions energy: -190.589
where: short stacking energy: -78.397
Base-Backbone interact. energy: 0.058
local terms energy: -84.775650
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -16.167
flat angles C4'-P-C4' energy: -20.127
flat angles P-C4'-P energy: -12.761
tors. eta vs tors. theta energy: -22.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 221
Temperature: 1.100000
Total energy: -279.742105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.742105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.742105 (E_RNA)
where:
Base-Base interactions energy: -183.257
where: short stacking energy: -91.956
Base-Backbone interact. energy: -0.914
local terms energy: -95.571443
where:
bonds (distance) C4'-P energy: -19.873
bonds (distance) P-C4' energy: -15.549
flat angles C4'-P-C4' energy: -20.661
flat angles P-C4'-P energy: -12.172
tors. eta vs tors. theta energy: -27.316
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: 8
=====================================
Write number: 221
Temperature: 1.150000
Total energy: -200.586448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.586448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.586448 (E_RNA)
where:
Base-Base interactions energy: -133.306
where: short stacking energy: -58.006
Base-Backbone interact. energy: -0.360
local terms energy: -66.920213
where:
bonds (distance) C4'-P energy: -17.387
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -11.451
flat angles P-C4'-P energy: -9.221
tors. eta vs tors. theta energy: -13.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 221
Temperature: 1.200000
Total energy: -155.768981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.768981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.768981 (E_RNA)
where:
Base-Base interactions energy: -90.733
where: short stacking energy: -35.822
Base-Backbone interact. energy: -0.108
local terms energy: -64.927933
where:
bonds (distance) C4'-P energy: -17.293
bonds (distance) P-C4' energy: -16.099
flat angles C4'-P-C4' energy: -14.957
flat angles P-C4'-P energy: -7.251
tors. eta vs tors. theta energy: -9.327
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: 221
Temperature: 1.250000
Total energy: -156.531389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.531389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.531389 (E_RNA)
where:
Base-Base interactions energy: -95.712
where: short stacking energy: -46.389
Base-Backbone interact. energy: -0.068
local terms energy: -60.750990
where:
bonds (distance) C4'-P energy: -15.728
bonds (distance) P-C4' energy: -13.868
flat angles C4'-P-C4' energy: -16.717
flat angles P-C4'-P energy: -8.208
tors. eta vs tors. theta energy: -6.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 221
Temperature: 1.300000
Total energy: -91.746327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.746327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.746327 (E_RNA)
where:
Base-Base interactions energy: -25.451
where: short stacking energy: -25.451
Base-Backbone interact. energy: -0.506
local terms energy: -65.789766
where:
bonds (distance) C4'-P energy: -19.772
bonds (distance) P-C4' energy: -18.238
flat angles C4'-P-C4' energy: -13.691
flat angles P-C4'-P energy: -9.426
tors. eta vs tors. theta energy: -4.663
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: 9
=====================================
Write number: 221
Temperature: 1.350000
Total energy: -80.202233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.202233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.202233 (E_RNA)
where:
Base-Base interactions energy: -25.475
where: short stacking energy: -20.415
Base-Backbone interact. energy: -0.500
local terms energy: -54.227218
where:
bonds (distance) C4'-P energy: -9.534
bonds (distance) P-C4' energy: -18.735
flat angles C4'-P-C4' energy: -17.546
flat angles P-C4'-P energy: -10.532
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: 1, replica: 5
=====================================
Write number: 222
Temperature: 0.900000
Total energy: -291.800785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.800785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.800785 (E_RNA)
where:
Base-Base interactions energy: -198.544
where: short stacking energy: -80.887
Base-Backbone interact. energy: -1.706
local terms energy: -91.551183
where:
bonds (distance) C4'-P energy: -20.233
bonds (distance) P-C4' energy: -12.534
flat angles C4'-P-C4' energy: -20.230
flat angles P-C4'-P energy: -14.506
tors. eta vs tors. theta energy: -24.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 222
Temperature: 0.950000
Total energy: -283.112166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.112166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.112166 (E_RNA)
where:
Base-Base interactions energy: -195.204
where: short stacking energy: -77.686
Base-Backbone interact. energy: -0.002
local terms energy: -87.906109
where:
bonds (distance) C4'-P energy: -17.426
bonds (distance) P-C4' energy: -16.808
flat angles C4'-P-C4' energy: -16.849
flat angles P-C4'-P energy: -12.822
tors. eta vs tors. theta energy: -24.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 222
Temperature: 1.000000
Total energy: -281.063991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.063991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.063991 (E_RNA)
where:
Base-Base interactions energy: -188.160
where: short stacking energy: -78.365
Base-Backbone interact. energy: -0.004
local terms energy: -92.899753
where:
bonds (distance) C4'-P energy: -16.754
bonds (distance) P-C4' energy: -16.638
flat angles C4'-P-C4' energy: -17.410
flat angles P-C4'-P energy: -16.748
tors. eta vs tors. theta energy: -25.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 222
Temperature: 1.050000
Total energy: -267.871474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.871474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.871474 (E_RNA)
where:
Base-Base interactions energy: -182.760
where: short stacking energy: -74.893
Base-Backbone interact. energy: -0.109
local terms energy: -85.002491
where:
bonds (distance) C4'-P energy: -8.165
bonds (distance) P-C4' energy: -14.831
flat angles C4'-P-C4' energy: -20.663
flat angles P-C4'-P energy: -14.044
tors. eta vs tors. theta energy: -27.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 222
Temperature: 1.100000
Total energy: -200.249415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.249415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.249415 (E_RNA)
where:
Base-Base interactions energy: -138.788
where: short stacking energy: -54.258
Base-Backbone interact. energy: -0.203
local terms energy: -61.258852
where:
bonds (distance) C4'-P energy: -13.894
bonds (distance) P-C4' energy: -10.909
flat angles C4'-P-C4' energy: -13.136
flat angles P-C4'-P energy: -11.581
tors. eta vs tors. theta energy: -11.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 222
Temperature: 1.150000
Total energy: -256.125011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.125011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.125011 (E_RNA)
where:
Base-Base interactions energy: -168.272
where: short stacking energy: -62.340
Base-Backbone interact. energy: -0.286
local terms energy: -87.567279
where:
bonds (distance) C4'-P energy: -16.961
bonds (distance) P-C4' energy: -20.293
flat angles C4'-P-C4' energy: -17.190
flat angles P-C4'-P energy: -12.179
tors. eta vs tors. theta energy: -20.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 222
Temperature: 1.200000
Total energy: -163.394638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.394638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.394638 (E_RNA)
where:
Base-Base interactions energy: -106.740
where: short stacking energy: -36.356
Base-Backbone interact. energy: -0.608
local terms energy: -56.047009
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -16.170
flat angles C4'-P-C4' energy: -8.194
flat angles P-C4'-P energy: -10.247
tors. eta vs tors. theta energy: -7.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 222
Temperature: 1.250000
Total energy: -129.774570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -129.774570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -129.774570 (E_RNA)
where:
Base-Base interactions energy: -75.050
where: short stacking energy: -23.324
Base-Backbone interact. energy: 0.227
local terms energy: -54.951467
where:
bonds (distance) C4'-P energy: -18.162
bonds (distance) P-C4' energy: -16.543
flat angles C4'-P-C4' energy: -13.279
flat angles P-C4'-P energy: -7.400
tors. eta vs tors. theta energy: 0.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 222
Temperature: 1.300000
Total energy: -84.994649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.994649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.994649 (E_RNA)
where:
Base-Base interactions energy: -26.127
where: short stacking energy: -25.708
Base-Backbone interact. energy: -0.073
local terms energy: -58.793794
where:
bonds (distance) C4'-P energy: -16.420
bonds (distance) P-C4' energy: -19.125
flat angles C4'-P-C4' energy: -11.745
flat angles P-C4'-P energy: -11.152
tors. eta vs tors. theta energy: -0.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 222
Temperature: 1.350000
Total energy: -102.705357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.705357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.705357 (E_RNA)
where:
Base-Base interactions energy: -33.389
where: short stacking energy: -33.389
Base-Backbone interact. energy: -0.061
local terms energy: -69.256176
where:
bonds (distance) C4'-P energy: -19.425
bonds (distance) P-C4' energy: -17.113
flat angles C4'-P-C4' energy: -12.994
flat angles P-C4'-P energy: -11.039
tors. eta vs tors. theta energy: -8.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 223
Temperature: 0.900000
Total energy: -292.033102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.033102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.033102 (E_RNA)
where:
Base-Base interactions energy: -205.629
where: short stacking energy: -71.940
Base-Backbone interact. energy: -0.705
local terms energy: -85.699469
where:
bonds (distance) C4'-P energy: -14.065
bonds (distance) P-C4' energy: -15.083
flat angles C4'-P-C4' energy: -18.252
flat angles P-C4'-P energy: -12.348
tors. eta vs tors. theta energy: -25.951
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 223
Temperature: 0.950000
Total energy: -283.851498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.851498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.851498 (E_RNA)
where:
Base-Base interactions energy: -193.070
where: short stacking energy: -79.045
Base-Backbone interact. energy: -0.799
local terms energy: -89.982751
where:
bonds (distance) C4'-P energy: -16.306
bonds (distance) P-C4' energy: -17.009
flat angles C4'-P-C4' energy: -21.342
flat angles P-C4'-P energy: -10.424
tors. eta vs tors. theta energy: -24.902
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: 7
=====================================
Write number: 223
Temperature: 1.000000
Total energy: -277.537246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.537246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.537246 (E_RNA)
where:
Base-Base interactions energy: -187.183
where: short stacking energy: -74.133
Base-Backbone interact. energy: -0.183
local terms energy: -90.171559
where:
bonds (distance) C4'-P energy: -17.082
bonds (distance) P-C4' energy: -18.418
flat angles C4'-P-C4' energy: -20.392
flat angles P-C4'-P energy: -10.629
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: 4, replica: 3
=====================================
Write number: 223
Temperature: 1.050000
Total energy: -274.512620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.512620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.512620 (E_RNA)
where:
Base-Base interactions energy: -192.462
where: short stacking energy: -76.058
Base-Backbone interact. energy: -0.106
local terms energy: -81.944299
where:
bonds (distance) C4'-P energy: -17.409
bonds (distance) P-C4' energy: -14.519
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -11.661
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: 5, replica: 8
=====================================
Write number: 223
Temperature: 1.100000
Total energy: -212.838476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.838476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.838476 (E_RNA)
where:
Base-Base interactions energy: -139.138
where: short stacking energy: -61.286
Base-Backbone interact. energy: -0.166
local terms energy: -73.535232
where:
bonds (distance) C4'-P energy: -16.587
bonds (distance) P-C4' energy: -13.725
flat angles C4'-P-C4' energy: -17.747
flat angles P-C4'-P energy: -10.292
tors. eta vs tors. theta energy: -15.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 223
Temperature: 1.150000
Total energy: -213.655398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.655398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.655398 (E_RNA)
where:
Base-Base interactions energy: -137.302
where: short stacking energy: -56.770
Base-Backbone interact. energy: -0.136
local terms energy: -76.218266
where:
bonds (distance) C4'-P energy: -15.334
bonds (distance) P-C4' energy: -15.011
flat angles C4'-P-C4' energy: -14.671
flat angles P-C4'-P energy: -14.428
tors. eta vs tors. theta energy: -16.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 223
Temperature: 1.200000
Total energy: -158.932789 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.932789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.932789 (E_RNA)
where:
Base-Base interactions energy: -105.064
where: short stacking energy: -49.353
Base-Backbone interact. energy: 0.521
local terms energy: -54.390003
where:
bonds (distance) C4'-P energy: -10.625
bonds (distance) P-C4' energy: -16.652
flat angles C4'-P-C4' energy: -17.237
flat angles P-C4'-P energy: -0.459
tors. eta vs tors. theta energy: -9.418
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: 8, replica: 9
=====================================
Write number: 223
Temperature: 1.250000
Total energy: -96.819756 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.819756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.819756 (E_RNA)
where:
Base-Base interactions energy: -46.648
where: short stacking energy: -31.810
Base-Backbone interact. energy: -0.508
local terms energy: -49.664114
where:
bonds (distance) C4'-P energy: -7.471
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -13.482
flat angles P-C4'-P energy: -12.458
tors. eta vs tors. theta energy: -1.274
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: 2
=====================================
Write number: 223
Temperature: 1.300000
Total energy: -92.617972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.617972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.617972 (E_RNA)
where:
Base-Base interactions energy: -34.880
where: short stacking energy: -21.575
Base-Backbone interact. energy: -0.336
local terms energy: -57.402053
where:
bonds (distance) C4'-P energy: -13.025
bonds (distance) P-C4' energy: -18.035
flat angles C4'-P-C4' energy: -18.722
flat angles P-C4'-P energy: -11.445
tors. eta vs tors. theta energy: 3.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 223
Temperature: 1.350000
Total energy: -82.571548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.571548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.571548 (E_RNA)
where:
Base-Base interactions energy: -36.207
where: short stacking energy: -34.400
Base-Backbone interact. energy: -0.038
local terms energy: -46.326185
where:
bonds (distance) C4'-P energy: -6.769
bonds (distance) P-C4' energy: -16.257
flat angles C4'-P-C4' energy: -10.579
flat angles P-C4'-P energy: -9.820
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: 10
=====================================
Write number: 224
Temperature: 0.900000
Total energy: -287.293952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.293952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.293952 (E_RNA)
where:
Base-Base interactions energy: -201.931
where: short stacking energy: -86.958
Base-Backbone interact. energy: -0.023
local terms energy: -85.340615
where:
bonds (distance) C4'-P energy: -9.377
bonds (distance) P-C4' energy: -18.483
flat angles C4'-P-C4' energy: -18.187
flat angles P-C4'-P energy: -11.878
tors. eta vs tors. theta energy: -27.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 224
Temperature: 0.950000
Total energy: -291.574498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.574498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.574498 (E_RNA)
where:
Base-Base interactions energy: -201.315
where: short stacking energy: -75.029
Base-Backbone interact. energy: -0.603
local terms energy: -89.656954
where:
bonds (distance) C4'-P energy: -20.332
bonds (distance) P-C4' energy: -16.999
flat angles C4'-P-C4' energy: -20.143
flat angles P-C4'-P energy: -10.878
tors. eta vs tors. theta energy: -21.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 224
Temperature: 1.000000
Total energy: -285.358562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.358562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.358562 (E_RNA)
where:
Base-Base interactions energy: -194.085
where: short stacking energy: -78.909
Base-Backbone interact. energy: -0.088
local terms energy: -91.186213
where:
bonds (distance) C4'-P energy: -18.035
bonds (distance) P-C4' energy: -16.355
flat angles C4'-P-C4' energy: -18.518
flat angles P-C4'-P energy: -12.926
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: 4, replica: 7
=====================================
Write number: 224
Temperature: 1.050000
Total energy: -267.854639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.854639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.854639 (E_RNA)
where:
Base-Base interactions energy: -188.069
where: short stacking energy: -73.020
Base-Backbone interact. energy: -0.027
local terms energy: -79.758261
where:
bonds (distance) C4'-P energy: -15.103
bonds (distance) P-C4' energy: -15.422
flat angles C4'-P-C4' energy: -14.525
flat angles P-C4'-P energy: -14.321
tors. eta vs tors. theta energy: -20.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 224
Temperature: 1.100000
Total energy: -198.511992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -198.511992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -198.511992 (E_RNA)
where:
Base-Base interactions energy: -126.417
where: short stacking energy: -61.299
Base-Backbone interact. energy: -0.436
local terms energy: -71.659737
where:
bonds (distance) C4'-P energy: -8.294
bonds (distance) P-C4' energy: -14.531
flat angles C4'-P-C4' energy: -17.890
flat angles P-C4'-P energy: -12.446
tors. eta vs tors. theta energy: -18.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 224
Temperature: 1.150000
Total energy: -213.593678 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.593678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.593678 (E_RNA)
where:
Base-Base interactions energy: -134.675
where: short stacking energy: -47.658
Base-Backbone interact. energy: -0.625
local terms energy: -78.293796
where:
bonds (distance) C4'-P energy: -16.466
bonds (distance) P-C4' energy: -17.691
flat angles C4'-P-C4' energy: -18.977
flat angles P-C4'-P energy: -15.740
tors. eta vs tors. theta energy: -9.419
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 224
Temperature: 1.200000
Total energy: -186.198597 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.198597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.198597 (E_RNA)
where:
Base-Base interactions energy: -109.756
where: short stacking energy: -44.609
Base-Backbone interact. energy: -0.289
local terms energy: -76.153722
where:
bonds (distance) C4'-P energy: -18.474
bonds (distance) P-C4' energy: -16.611
flat angles C4'-P-C4' energy: -17.468
flat angles P-C4'-P energy: -11.400
tors. eta vs tors. theta energy: -12.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 224
Temperature: 1.250000
Total energy: -89.798204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.798204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.798204 (E_RNA)
where:
Base-Base interactions energy: -44.204
where: short stacking energy: -35.299
Base-Backbone interact. energy: -0.267
local terms energy: -45.327493
where:
bonds (distance) C4'-P energy: -8.859
bonds (distance) P-C4' energy: -14.093
flat angles C4'-P-C4' energy: -12.864
flat angles P-C4'-P energy: -10.023
tors. eta vs tors. theta energy: 0.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 224
Temperature: 1.300000
Total energy: -90.669783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.669783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.669783 (E_RNA)
where:
Base-Base interactions energy: -28.783
where: short stacking energy: -28.407
Base-Backbone interact. energy: -0.089
local terms energy: -61.798133
where:
bonds (distance) C4'-P energy: -17.194
bonds (distance) P-C4' energy: -17.248
flat angles C4'-P-C4' energy: -19.105
flat angles P-C4'-P energy: -7.658
tors. eta vs tors. theta energy: -0.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 224
Temperature: 1.350000
Total energy: -96.651496 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.651496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.651496 (E_RNA)
where:
Base-Base interactions energy: -35.397
where: short stacking energy: -25.327
Base-Backbone interact. energy: -0.200
local terms energy: -61.054347
where:
bonds (distance) C4'-P energy: -17.965
bonds (distance) P-C4' energy: -20.337
flat angles C4'-P-C4' energy: -14.205
flat angles P-C4'-P energy: -7.883
tors. eta vs tors. theta energy: -0.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 225
Temperature: 0.900000
Total energy: -288.561311 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.561311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.561311 (E_RNA)
where:
Base-Base interactions energy: -200.530
where: short stacking energy: -87.131
Base-Backbone interact. energy: -0.670
local terms energy: -87.360765
where:
bonds (distance) C4'-P energy: -15.874
bonds (distance) P-C4' energy: -18.377
flat angles C4'-P-C4' energy: -14.105
flat angles P-C4'-P energy: -14.941
tors. eta vs tors. theta energy: -24.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 225
Temperature: 0.950000
Total energy: -289.251268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.251268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.251268 (E_RNA)
where:
Base-Base interactions energy: -199.783
where: short stacking energy: -89.860
Base-Backbone interact. energy: -0.009
local terms energy: -89.459435
where:
bonds (distance) C4'-P energy: -17.426
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -21.816
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -24.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 225
Temperature: 1.000000
Total energy: -275.469467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.469467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.469467 (E_RNA)
where:
Base-Base interactions energy: -196.881
where: short stacking energy: -71.625
Base-Backbone interact. energy: -0.408
local terms energy: -78.180276
where:
bonds (distance) C4'-P energy: -16.200
bonds (distance) P-C4' energy: -14.796
flat angles C4'-P-C4' energy: -17.870
flat angles P-C4'-P energy: -11.265
tors. eta vs tors. theta energy: -18.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 225
Temperature: 1.050000
Total energy: -281.865379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.865379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.865379 (E_RNA)
where:
Base-Base interactions energy: -190.662
where: short stacking energy: -86.690
Base-Backbone interact. energy: -0.063
local terms energy: -91.140735
where:
bonds (distance) C4'-P energy: -16.366
bonds (distance) P-C4' energy: -19.076
flat angles C4'-P-C4' energy: -20.339
flat angles P-C4'-P energy: -7.261
tors. eta vs tors. theta energy: -28.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 225
Temperature: 1.100000
Total energy: -242.691470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.691470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.691470 (E_RNA)
where:
Base-Base interactions energy: -164.926
where: short stacking energy: -71.375
Base-Backbone interact. energy: -0.207
local terms energy: -77.558723
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -17.183
flat angles C4'-P-C4' energy: -18.236
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: -19.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 225
Temperature: 1.150000
Total energy: -193.614205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.614205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.614205 (E_RNA)
where:
Base-Base interactions energy: -129.153
where: short stacking energy: -46.217
Base-Backbone interact. energy: -0.068
local terms energy: -64.393011
where:
bonds (distance) C4'-P energy: -10.666
bonds (distance) P-C4' energy: -12.834
flat angles C4'-P-C4' energy: -18.963
flat angles P-C4'-P energy: -9.280
tors. eta vs tors. theta energy: -12.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 225
Temperature: 1.200000
Total energy: -251.105458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.105458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.105458 (E_RNA)
where:
Base-Base interactions energy: -178.576
where: short stacking energy: -74.958
Base-Backbone interact. energy: -0.277
local terms energy: -72.253052
where:
bonds (distance) C4'-P energy: -14.204
bonds (distance) P-C4' energy: -11.387
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -9.637
tors. eta vs tors. theta energy: -22.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 225
Temperature: 1.250000
Total energy: -92.602365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.602365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.602365 (E_RNA)
where:
Base-Base interactions energy: -35.739
where: short stacking energy: -31.306
Base-Backbone interact. energy: -0.211
local terms energy: -56.651912
where:
bonds (distance) C4'-P energy: -14.938
bonds (distance) P-C4' energy: -17.933
flat angles C4'-P-C4' energy: -16.073
flat angles P-C4'-P energy: -7.862
tors. eta vs tors. theta energy: 0.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 225
Temperature: 1.300000
Total energy: -89.066260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.066260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.066260 (E_RNA)
where:
Base-Base interactions energy: -27.327
where: short stacking energy: -27.005
Base-Backbone interact. energy: -0.842
local terms energy: -60.897264
where:
bonds (distance) C4'-P energy: -12.206
bonds (distance) P-C4' energy: -20.015
flat angles C4'-P-C4' energy: -15.765
flat angles P-C4'-P energy: -9.869
tors. eta vs tors. theta energy: -3.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 225
Temperature: 1.350000
Total energy: -90.963209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.963209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.963209 (E_RNA)
where:
Base-Base interactions energy: -42.608
where: short stacking energy: -24.240
Base-Backbone interact. energy: 2.683
local terms energy: -51.038258
where:
bonds (distance) C4'-P energy: -15.878
bonds (distance) P-C4' energy: -11.821
flat angles C4'-P-C4' energy: -12.929
flat angles P-C4'-P energy: -8.371
tors. eta vs tors. theta energy: -2.039
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 226
Temperature: 0.900000
Total energy: -287.357909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.357909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.357909 (E_RNA)
where:
Base-Base interactions energy: -195.292
where: short stacking energy: -87.924
Base-Backbone interact. energy: -0.100
local terms energy: -91.965433
where:
bonds (distance) C4'-P energy: -17.927
bonds (distance) P-C4' energy: -20.471
flat angles C4'-P-C4' energy: -18.603
flat angles P-C4'-P energy: -12.821
tors. eta vs tors. theta energy: -22.144
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: 226
Temperature: 0.950000
Total energy: -277.550717 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.550717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.550717 (E_RNA)
where:
Base-Base interactions energy: -191.996
where: short stacking energy: -78.671
Base-Backbone interact. energy: -0.942
local terms energy: -84.612755
where:
bonds (distance) C4'-P energy: -15.065
bonds (distance) P-C4' energy: -20.391
flat angles C4'-P-C4' energy: -18.883
flat angles P-C4'-P energy: -7.178
tors. eta vs tors. theta energy: -23.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 226
Temperature: 1.000000
Total energy: -279.236449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.236449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.236449 (E_RNA)
where:
Base-Base interactions energy: -188.878
where: short stacking energy: -77.319
Base-Backbone interact. energy: -0.052
local terms energy: -90.306480
where:
bonds (distance) C4'-P energy: -18.742
bonds (distance) P-C4' energy: -16.567
flat angles C4'-P-C4' energy: -21.210
flat angles P-C4'-P energy: -10.944
tors. eta vs tors. theta energy: -22.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 226
Temperature: 1.050000
Total energy: -266.786972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.786972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.786972 (E_RNA)
where:
Base-Base interactions energy: -190.574
where: short stacking energy: -64.972
Base-Backbone interact. energy: 0.087
local terms energy: -76.300054
where:
bonds (distance) C4'-P energy: -15.918
bonds (distance) P-C4' energy: -16.081
flat angles C4'-P-C4' energy: -12.304
flat angles P-C4'-P energy: -12.081
tors. eta vs tors. theta energy: -19.917
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 226
Temperature: 1.100000
Total energy: -268.012105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.012105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.012105 (E_RNA)
where:
Base-Base interactions energy: -192.988
where: short stacking energy: -75.601
Base-Backbone interact. energy: -0.168
local terms energy: -74.856250
where:
bonds (distance) C4'-P energy: -7.767
bonds (distance) P-C4' energy: -15.665
flat angles C4'-P-C4' energy: -17.204
flat angles P-C4'-P energy: -12.145
tors. eta vs tors. theta energy: -22.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 226
Temperature: 1.150000
Total energy: -214.186173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.186173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.186173 (E_RNA)
where:
Base-Base interactions energy: -138.882
where: short stacking energy: -55.394
Base-Backbone interact. energy: -0.030
local terms energy: -75.274379
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -17.341
flat angles C4'-P-C4' energy: -13.795
flat angles P-C4'-P energy: -12.205
tors. eta vs tors. theta energy: -14.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 226
Temperature: 1.200000
Total energy: -253.679837 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.679837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.679837 (E_RNA)
where:
Base-Base interactions energy: -174.094
where: short stacking energy: -73.309
Base-Backbone interact. energy: -0.135
local terms energy: -79.451104
where:
bonds (distance) C4'-P energy: -15.265
bonds (distance) P-C4' energy: -14.252
flat angles C4'-P-C4' energy: -17.518
flat angles P-C4'-P energy: -13.226
tors. eta vs tors. theta energy: -19.190
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: 1
=====================================
Write number: 226
Temperature: 1.250000
Total energy: -96.877325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.877325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.877325 (E_RNA)
where:
Base-Base interactions energy: -39.272
where: short stacking energy: -35.720
Base-Backbone interact. energy: 0.299
local terms energy: -57.904107
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -18.468
flat angles C4'-P-C4' energy: -16.244
flat angles P-C4'-P energy: -7.101
tors. eta vs tors. theta energy: 0.871
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: 2
=====================================
Write number: 226
Temperature: 1.300000
Total energy: -98.276491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.276491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.276491 (E_RNA)
where:
Base-Base interactions energy: -37.055
where: short stacking energy: -32.989
Base-Backbone interact. energy: -0.601
local terms energy: -60.620139
where:
bonds (distance) C4'-P energy: -20.431
bonds (distance) P-C4' energy: -21.705
flat angles C4'-P-C4' energy: -5.319
flat angles P-C4'-P energy: -9.652
tors. eta vs tors. theta energy: -3.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 226
Temperature: 1.350000
Total energy: -89.113743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.113743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.113743 (E_RNA)
where:
Base-Base interactions energy: -35.866
where: short stacking energy: -31.261
Base-Backbone interact. energy: 0.254
local terms energy: -53.500966
where:
bonds (distance) C4'-P energy: -17.230
bonds (distance) P-C4' energy: -19.380
flat angles C4'-P-C4' energy: -7.585
flat angles P-C4'-P energy: -5.074
tors. eta vs tors. theta energy: -4.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 227
Temperature: 0.900000
Total energy: -291.095493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.095493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.095493 (E_RNA)
where:
Base-Base interactions energy: -197.943
where: short stacking energy: -81.637
Base-Backbone interact. energy: -0.001
local terms energy: -93.151627
where:
bonds (distance) C4'-P energy: -16.168
bonds (distance) P-C4' energy: -17.635
flat angles C4'-P-C4' energy: -20.951
flat angles P-C4'-P energy: -10.298
tors. eta vs tors. theta energy: -28.100
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: 10
=====================================
Write number: 227
Temperature: 0.950000
Total energy: -279.748191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.748191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.748191 (E_RNA)
where:
Base-Base interactions energy: -190.459
where: short stacking energy: -73.603
Base-Backbone interact. energy: -0.475
local terms energy: -88.814315
where:
bonds (distance) C4'-P energy: -16.321
bonds (distance) P-C4' energy: -19.806
flat angles C4'-P-C4' energy: -17.146
flat angles P-C4'-P energy: -12.345
tors. eta vs tors. theta energy: -23.196
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: 7
=====================================
Write number: 227
Temperature: 1.000000
Total energy: -272.035442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.035442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.035442 (E_RNA)
where:
Base-Base interactions energy: -183.894
where: short stacking energy: -75.017
Base-Backbone interact. energy: 1.334
local terms energy: -89.475027
where:
bonds (distance) C4'-P energy: -17.764
bonds (distance) P-C4' energy: -17.356
flat angles C4'-P-C4' energy: -20.615
flat angles P-C4'-P energy: -12.166
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: 4, replica: 4
=====================================
Write number: 227
Temperature: 1.050000
Total energy: -275.957201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.957201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.957201 (E_RNA)
where:
Base-Base interactions energy: -186.802
where: short stacking energy: -79.445
Base-Backbone interact. energy: -0.268
local terms energy: -88.888000
where:
bonds (distance) C4'-P energy: -18.630
bonds (distance) P-C4' energy: -15.366
flat angles C4'-P-C4' energy: -17.761
flat angles P-C4'-P energy: -9.889
tors. eta vs tors. theta energy: -27.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 227
Temperature: 1.100000
Total energy: -264.600950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.600950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.600950 (E_RNA)
where:
Base-Base interactions energy: -173.976
where: short stacking energy: -72.127
Base-Backbone interact. energy: -0.657
local terms energy: -89.967625
where:
bonds (distance) C4'-P energy: -16.420
bonds (distance) P-C4' energy: -19.270
flat angles C4'-P-C4' energy: -17.550
flat angles P-C4'-P energy: -13.195
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: 6
=====================================
Write number: 227
Temperature: 1.150000
Total energy: -271.001585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.001585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.001585 (E_RNA)
where:
Base-Base interactions energy: -180.736
where: short stacking energy: -78.363
Base-Backbone interact. energy: 0.046
local terms energy: -90.310959
where:
bonds (distance) C4'-P energy: -11.817
bonds (distance) P-C4' energy: -19.529
flat angles C4'-P-C4' energy: -20.597
flat angles P-C4'-P energy: -13.950
tors. eta vs tors. theta energy: -24.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 227
Temperature: 1.200000
Total energy: -204.843735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.843735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.843735 (E_RNA)
where:
Base-Base interactions energy: -124.620
where: short stacking energy: -67.230
Base-Backbone interact. energy: 2.426
local terms energy: -82.649475
where:
bonds (distance) C4'-P energy: -15.990
bonds (distance) P-C4' energy: -14.279
flat angles C4'-P-C4' energy: -17.515
flat angles P-C4'-P energy: -14.654
tors. eta vs tors. theta energy: -20.212
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 227
Temperature: 1.250000
Total energy: -105.380305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.380305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.380305 (E_RNA)
where:
Base-Base interactions energy: -41.542
where: short stacking energy: -41.542
Base-Backbone interact. energy: -0.145
local terms energy: -63.693948
where:
bonds (distance) C4'-P energy: -17.567
bonds (distance) P-C4' energy: -12.831
flat angles C4'-P-C4' energy: -13.473
flat angles P-C4'-P energy: -14.500
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: 9, replica: 1
=====================================
Write number: 227
Temperature: 1.300000
Total energy: -87.070693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.070693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.070693 (E_RNA)
where:
Base-Base interactions energy: -33.559
where: short stacking energy: -19.685
Base-Backbone interact. energy: -0.257
local terms energy: -53.254539
where:
bonds (distance) C4'-P energy: -15.825
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -11.857
flat angles P-C4'-P energy: -11.720
tors. eta vs tors. theta energy: 3.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 227
Temperature: 1.350000
Total energy: -81.901196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.901196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.901196 (E_RNA)
where:
Base-Base interactions energy: -35.046
where: short stacking energy: -32.169
Base-Backbone interact. energy: -0.263
local terms energy: -46.592406
where:
bonds (distance) C4'-P energy: -14.048
bonds (distance) P-C4' energy: -15.912
flat angles C4'-P-C4' energy: -12.664
flat angles P-C4'-P energy: -4.571
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: 3
=====================================
Write number: 228
Temperature: 0.900000
Total energy: -292.186253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.186253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.186253 (E_RNA)
where:
Base-Base interactions energy: -205.139
where: short stacking energy: -85.164
Base-Backbone interact. energy: 2.178
local terms energy: -89.225853
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -16.183
flat angles C4'-P-C4' energy: -21.478
flat angles P-C4'-P energy: -10.600
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: 2, replica: 10
=====================================
Write number: 228
Temperature: 0.950000
Total energy: -278.591973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.591973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.591973 (E_RNA)
where:
Base-Base interactions energy: -183.460
where: short stacking energy: -72.458
Base-Backbone interact. energy: -0.056
local terms energy: -95.076187
where:
bonds (distance) C4'-P energy: -20.655
bonds (distance) P-C4' energy: -19.027
flat angles C4'-P-C4' energy: -17.450
flat angles P-C4'-P energy: -11.611
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: 3, replica: 4
=====================================
Write number: 228
Temperature: 1.000000
Total energy: -276.195998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.195998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.195998 (E_RNA)
where:
Base-Base interactions energy: -187.816
where: short stacking energy: -84.437
Base-Backbone interact. energy: -1.975
local terms energy: -86.404512
where:
bonds (distance) C4'-P energy: -20.030
bonds (distance) P-C4' energy: -15.328
flat angles C4'-P-C4' energy: -15.399
flat angles P-C4'-P energy: -10.748
tors. eta vs tors. theta energy: -24.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 228
Temperature: 1.050000
Total energy: -275.779740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.779740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.779740 (E_RNA)
where:
Base-Base interactions energy: -193.669
where: short stacking energy: -73.621
Base-Backbone interact. energy: -0.174
local terms energy: -81.936213
where:
bonds (distance) C4'-P energy: -16.429
bonds (distance) P-C4' energy: -14.487
flat angles C4'-P-C4' energy: -13.887
flat angles P-C4'-P energy: -11.097
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: 5, replica: 6
=====================================
Write number: 228
Temperature: 1.100000
Total energy: -274.211905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.211905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.211905 (E_RNA)
where:
Base-Base interactions energy: -188.820
where: short stacking energy: -76.351
Base-Backbone interact. energy: -0.098
local terms energy: -85.294240
where:
bonds (distance) C4'-P energy: -11.437
bonds (distance) P-C4' energy: -19.908
flat angles C4'-P-C4' energy: -18.138
flat angles P-C4'-P energy: -11.554
tors. eta vs tors. theta energy: -24.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 228
Temperature: 1.150000
Total energy: -261.029272 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.029272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.029272 (E_RNA)
where:
Base-Base interactions energy: -178.900
where: short stacking energy: -71.972
Base-Backbone interact. energy: -0.068
local terms energy: -82.061325
where:
bonds (distance) C4'-P energy: -18.494
bonds (distance) P-C4' energy: -15.308
flat angles C4'-P-C4' energy: -16.000
flat angles P-C4'-P energy: -11.382
tors. eta vs tors. theta energy: -20.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 228
Temperature: 1.200000
Total energy: -262.737876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.737876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.737876 (E_RNA)
where:
Base-Base interactions energy: -176.633
where: short stacking energy: -70.903
Base-Backbone interact. energy: -0.080
local terms energy: -86.025777
where:
bonds (distance) C4'-P energy: -17.182
bonds (distance) P-C4' energy: -15.119
flat angles C4'-P-C4' energy: -17.466
flat angles P-C4'-P energy: -14.156
tors. eta vs tors. theta energy: -22.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 228
Temperature: 1.250000
Total energy: -122.780052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.780052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.780052 (E_RNA)
where:
Base-Base interactions energy: -62.851
where: short stacking energy: -32.126
Base-Backbone interact. energy: -0.107
local terms energy: -59.822479
where:
bonds (distance) C4'-P energy: -14.934
bonds (distance) P-C4' energy: -15.086
flat angles C4'-P-C4' energy: -11.681
flat angles P-C4'-P energy: -13.550
tors. eta vs tors. theta energy: -4.572
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: 9
=====================================
Write number: 228
Temperature: 1.300000
Total energy: -98.875325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.875325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.875325 (E_RNA)
where:
Base-Base interactions energy: -36.207
where: short stacking energy: -29.956
Base-Backbone interact. energy: -0.300
local terms energy: -62.368364
where:
bonds (distance) C4'-P energy: -15.977
bonds (distance) P-C4' energy: -18.580
flat angles C4'-P-C4' energy: -15.431
flat angles P-C4'-P energy: -3.144
tors. eta vs tors. theta energy: -9.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 228
Temperature: 1.350000
Total energy: -84.281350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.281350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.281350 (E_RNA)
where:
Base-Base interactions energy: -36.278
where: short stacking energy: -36.278
Base-Backbone interact. energy: 1.036
local terms energy: -49.039436
where:
bonds (distance) C4'-P energy: -5.388
bonds (distance) P-C4' energy: -17.774
flat angles C4'-P-C4' energy: -12.358
flat angles P-C4'-P energy: -8.893
tors. eta vs tors. theta energy: -4.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 229
Temperature: 0.900000
Total energy: -284.785655 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.785655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.785655 (E_RNA)
where:
Base-Base interactions energy: -193.618
where: short stacking energy: -83.552
Base-Backbone interact. energy: -0.473
local terms energy: -90.694246
where:
bonds (distance) C4'-P energy: -14.295
bonds (distance) P-C4' energy: -18.341
flat angles C4'-P-C4' energy: -21.143
flat angles P-C4'-P energy: -11.749
tors. eta vs tors. theta energy: -25.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 229
Temperature: 0.950000
Total energy: -280.575711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.575711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.575711 (E_RNA)
where:
Base-Base interactions energy: -190.735
where: short stacking energy: -78.291
Base-Backbone interact. energy: -0.100
local terms energy: -89.740595
where:
bonds (distance) C4'-P energy: -17.591
bonds (distance) P-C4' energy: -16.559
flat angles C4'-P-C4' energy: -20.631
flat angles P-C4'-P energy: -13.990
tors. eta vs tors. theta energy: -20.970
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: 10
=====================================
Write number: 229
Temperature: 1.000000
Total energy: -286.411474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.411474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.411474 (E_RNA)
where:
Base-Base interactions energy: -204.011
where: short stacking energy: -76.973
Base-Backbone interact. energy: -0.302
local terms energy: -82.098475
where:
bonds (distance) C4'-P energy: -18.394
bonds (distance) P-C4' energy: -12.474
flat angles C4'-P-C4' energy: -20.496
flat angles P-C4'-P energy: -12.696
tors. eta vs tors. theta energy: -18.038
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: 7
=====================================
Write number: 229
Temperature: 1.050000
Total energy: -272.937088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.937088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.937088 (E_RNA)
where:
Base-Base interactions energy: -193.156
where: short stacking energy: -80.463
Base-Backbone interact. energy: -0.190
local terms energy: -79.591713
where:
bonds (distance) C4'-P energy: -15.004
bonds (distance) P-C4' energy: -18.928
flat angles C4'-P-C4' energy: -14.848
flat angles P-C4'-P energy: -5.246
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: 5, replica: 6
=====================================
Write number: 229
Temperature: 1.100000
Total energy: -264.964764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.964764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.964764 (E_RNA)
where:
Base-Base interactions energy: -176.093
where: short stacking energy: -77.661
Base-Backbone interact. energy: 0.064
local terms energy: -88.936353
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -17.933
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -27.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 229
Temperature: 1.150000
Total energy: -269.159861 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.159861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.159861 (E_RNA)
where:
Base-Base interactions energy: -179.736
where: short stacking energy: -71.864
Base-Backbone interact. energy: -0.812
local terms energy: -88.611918
where:
bonds (distance) C4'-P energy: -18.077
bonds (distance) P-C4' energy: -18.981
flat angles C4'-P-C4' energy: -17.198
flat angles P-C4'-P energy: -8.605
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: 5
=====================================
Write number: 229
Temperature: 1.200000
Total energy: -249.472236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.472236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.472236 (E_RNA)
where:
Base-Base interactions energy: -166.284
where: short stacking energy: -65.306
Base-Backbone interact. energy: -0.028
local terms energy: -83.159981
where:
bonds (distance) C4'-P energy: -17.321
bonds (distance) P-C4' energy: -18.617
flat angles C4'-P-C4' energy: -13.794
flat angles P-C4'-P energy: -11.045
tors. eta vs tors. theta energy: -22.383
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: 9
=====================================
Write number: 229
Temperature: 1.250000
Total energy: -96.551213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.551213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.551213 (E_RNA)
where:
Base-Base interactions energy: -40.090
where: short stacking energy: -39.925
Base-Backbone interact. energy: -0.265
local terms energy: -56.196984
where:
bonds (distance) C4'-P energy: -16.126
bonds (distance) P-C4' energy: -13.715
flat angles C4'-P-C4' energy: -8.133
flat angles P-C4'-P energy: -12.106
tors. eta vs tors. theta energy: -6.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 229
Temperature: 1.300000
Total energy: -104.883367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.883367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.883367 (E_RNA)
where:
Base-Base interactions energy: -45.953
where: short stacking energy: -18.135
Base-Backbone interact. energy: -1.150
local terms energy: -57.780838
where:
bonds (distance) C4'-P energy: -12.433
bonds (distance) P-C4' energy: -16.480
flat angles C4'-P-C4' energy: -18.812
flat angles P-C4'-P energy: -8.434
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: 10, replica: 1
=====================================
Write number: 229
Temperature: 1.350000
Total energy: -81.017155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.017155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.017155 (E_RNA)
where:
Base-Base interactions energy: -31.752
where: short stacking energy: -21.761
Base-Backbone interact. energy: -0.535
local terms energy: -48.730276
where:
bonds (distance) C4'-P energy: -14.366
bonds (distance) P-C4' energy: -13.874
flat angles C4'-P-C4' energy: -15.513
flat angles P-C4'-P energy: -5.973
tors. eta vs tors. theta energy: 0.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 230
Temperature: 0.900000
Total energy: -281.958657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.958657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.958657 (E_RNA)
where:
Base-Base interactions energy: -194.251
where: short stacking energy: -82.697
Base-Backbone interact. energy: -0.083
local terms energy: -87.625549
where:
bonds (distance) C4'-P energy: -16.647
bonds (distance) P-C4' energy: -18.468
flat angles C4'-P-C4' energy: -16.476
flat angles P-C4'-P energy: -11.377
tors. eta vs tors. theta energy: -24.658
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: 3
=====================================
Write number: 230
Temperature: 0.950000
Total energy: -294.021435 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.021435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.021435 (E_RNA)
where:
Base-Base interactions energy: -201.810
where: short stacking energy: -88.105
Base-Backbone interact. energy: -0.024
local terms energy: -92.188065
where:
bonds (distance) C4'-P energy: -18.778
bonds (distance) P-C4' energy: -19.919
flat angles C4'-P-C4' energy: -17.585
flat angles P-C4'-P energy: -12.846
tors. eta vs tors. theta energy: -23.060
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: 10
=====================================
Write number: 230
Temperature: 1.000000
Total energy: -273.320493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.320493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.320493 (E_RNA)
where:
Base-Base interactions energy: -184.830
where: short stacking energy: -73.208
Base-Backbone interact. energy: -1.598
local terms energy: -86.892711
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -17.278
flat angles P-C4'-P energy: -16.575
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: 4, replica: 7
=====================================
Write number: 230
Temperature: 1.050000
Total energy: -276.688768 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.688768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.688768 (E_RNA)
where:
Base-Base interactions energy: -193.489
where: short stacking energy: -77.990
Base-Backbone interact. energy: -0.662
local terms energy: -82.537799
where:
bonds (distance) C4'-P energy: -19.718
bonds (distance) P-C4' energy: -15.735
flat angles C4'-P-C4' energy: -14.369
flat angles P-C4'-P energy: -12.440
tors. eta vs tors. theta energy: -20.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 230
Temperature: 1.100000
Total energy: -269.239103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.239103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.239103 (E_RNA)
where:
Base-Base interactions energy: -185.049
where: short stacking energy: -79.428
Base-Backbone interact. energy: -0.677
local terms energy: -83.513486
where:
bonds (distance) C4'-P energy: -15.209
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -18.674
flat angles P-C4'-P energy: -11.340
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: 6, replica: 6
=====================================
Write number: 230
Temperature: 1.150000
Total energy: -262.721139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.721139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.721139 (E_RNA)
where:
Base-Base interactions energy: -173.437
where: short stacking energy: -78.319
Base-Backbone interact. energy: -0.362
local terms energy: -88.922442
where:
bonds (distance) C4'-P energy: -14.084
bonds (distance) P-C4' energy: -17.118
flat angles C4'-P-C4' energy: -20.629
flat angles P-C4'-P energy: -11.285
tors. eta vs tors. theta energy: -25.806
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 230
Temperature: 1.200000
Total energy: -254.811640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.811640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.811640 (E_RNA)
where:
Base-Base interactions energy: -176.149
where: short stacking energy: -70.474
Base-Backbone interact. energy: -0.340
local terms energy: -78.323552
where:
bonds (distance) C4'-P energy: -15.358
bonds (distance) P-C4' energy: -13.341
flat angles C4'-P-C4' energy: -17.117
flat angles P-C4'-P energy: -10.881
tors. eta vs tors. theta energy: -21.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 230
Temperature: 1.250000
Total energy: -90.372279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.372279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.372279 (E_RNA)
where:
Base-Base interactions energy: -33.711
where: short stacking energy: -17.513
Base-Backbone interact. energy: -1.246
local terms energy: -55.415106
where:
bonds (distance) C4'-P energy: -17.702
bonds (distance) P-C4' energy: -20.112
flat angles C4'-P-C4' energy: -11.597
flat angles P-C4'-P energy: -9.339
tors. eta vs tors. theta energy: 3.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 230
Temperature: 1.300000
Total energy: -117.792696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.792696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.792696 (E_RNA)
where:
Base-Base interactions energy: -68.143
where: short stacking energy: -34.766
Base-Backbone interact. energy: 0.446
local terms energy: -50.096108
where:
bonds (distance) C4'-P energy: -13.651
bonds (distance) P-C4' energy: -17.597
flat angles C4'-P-C4' energy: -9.551
flat angles P-C4'-P energy: -5.157
tors. eta vs tors. theta energy: -4.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 230
Temperature: 1.350000
Total energy: -87.812553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.812553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.812553 (E_RNA)
where:
Base-Base interactions energy: -32.383
where: short stacking energy: -25.380
Base-Backbone interact. energy: -0.334
local terms energy: -55.095363
where:
bonds (distance) C4'-P energy: -12.984
bonds (distance) P-C4' energy: -16.678
flat angles C4'-P-C4' energy: -14.584
flat angles P-C4'-P energy: -13.400
tors. eta vs tors. theta energy: 2.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 231
Temperature: 0.900000
Total energy: -295.833457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.833457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.833457 (E_RNA)
where:
Base-Base interactions energy: -200.065
where: short stacking energy: -80.585
Base-Backbone interact. energy: -0.002
local terms energy: -95.766653
where:
bonds (distance) C4'-P energy: -15.459
bonds (distance) P-C4' energy: -18.968
flat angles C4'-P-C4' energy: -20.144
flat angles P-C4'-P energy: -14.295
tors. eta vs tors. theta energy: -26.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 231
Temperature: 0.950000
Total energy: -287.601113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.601113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.601113 (E_RNA)
where:
Base-Base interactions energy: -191.781
where: short stacking energy: -74.237
Base-Backbone interact. energy: -0.000
local terms energy: -95.819434
where:
bonds (distance) C4'-P energy: -19.648
bonds (distance) P-C4' energy: -19.207
flat angles C4'-P-C4' energy: -15.461
flat angles P-C4'-P energy: -15.126
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: 10
=====================================
Write number: 231
Temperature: 1.000000
Total energy: -278.377167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.377167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.377167 (E_RNA)
where:
Base-Base interactions energy: -188.907
where: short stacking energy: -71.440
Base-Backbone interact. energy: -0.000
local terms energy: -89.469982
where:
bonds (distance) C4'-P energy: -20.472
bonds (distance) P-C4' energy: -18.077
flat angles C4'-P-C4' energy: -16.583
flat angles P-C4'-P energy: -10.996
tors. eta vs tors. theta energy: -23.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 231
Temperature: 1.050000
Total energy: -270.108064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.108064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.108064 (E_RNA)
where:
Base-Base interactions energy: -187.013
where: short stacking energy: -76.465
Base-Backbone interact. energy: -0.070
local terms energy: -83.024698
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -19.352
flat angles P-C4'-P energy: -10.108
tors. eta vs tors. theta energy: -21.966
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 231
Temperature: 1.100000
Total energy: -267.116964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.116964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.116964 (E_RNA)
where:
Base-Base interactions energy: -184.009
where: short stacking energy: -80.114
Base-Backbone interact. energy: -0.095
local terms energy: -83.013049
where:
bonds (distance) C4'-P energy: -11.535
bonds (distance) P-C4' energy: -18.645
flat angles C4'-P-C4' energy: -19.298
flat angles P-C4'-P energy: -10.982
tors. eta vs tors. theta energy: -22.553
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: 5
=====================================
Write number: 231
Temperature: 1.150000
Total energy: -261.027591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.027591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.027591 (E_RNA)
where:
Base-Base interactions energy: -188.013
where: short stacking energy: -74.628
Base-Backbone interact. energy: -0.169
local terms energy: -72.844855
where:
bonds (distance) C4'-P energy: -11.157
bonds (distance) P-C4' energy: -8.409
flat angles C4'-P-C4' energy: -17.932
flat angles P-C4'-P energy: -12.726
tors. eta vs tors. theta energy: -22.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 231
Temperature: 1.200000
Total energy: -233.727380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -233.727380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -233.727380 (E_RNA)
where:
Base-Base interactions energy: -151.529
where: short stacking energy: -65.250
Base-Backbone interact. energy: -0.186
local terms energy: -82.012356
where:
bonds (distance) C4'-P energy: -15.314
bonds (distance) P-C4' energy: -13.924
flat angles C4'-P-C4' energy: -18.004
flat angles P-C4'-P energy: -11.985
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: 8, replica: 1
=====================================
Write number: 231
Temperature: 1.250000
Total energy: -101.110253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.110253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.110253 (E_RNA)
where:
Base-Base interactions energy: -39.587
where: short stacking energy: -35.500
Base-Backbone interact. energy: -0.238
local terms energy: -61.284662
where:
bonds (distance) C4'-P energy: -14.846
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -12.902
flat angles P-C4'-P energy: -11.297
tors. eta vs tors. theta energy: -5.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 231
Temperature: 1.300000
Total energy: -87.753606 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.753606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.753606 (E_RNA)
where:
Base-Base interactions energy: -25.976
where: short stacking energy: -23.638
Base-Backbone interact. energy: -0.414
local terms energy: -61.363160
where:
bonds (distance) C4'-P energy: -12.023
bonds (distance) P-C4' energy: -17.342
flat angles C4'-P-C4' energy: -17.189
flat angles P-C4'-P energy: -10.260
tors. eta vs tors. theta energy: -4.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 231
Temperature: 1.350000
Total energy: -77.063318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.063318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.063318 (E_RNA)
where:
Base-Base interactions energy: -21.587
where: short stacking energy: -19.441
Base-Backbone interact. energy: -0.183
local terms energy: -55.293192
where:
bonds (distance) C4'-P energy: -17.870
bonds (distance) P-C4' energy: -18.323
flat angles C4'-P-C4' energy: -12.942
flat angles P-C4'-P energy: -9.661
tors. eta vs tors. theta energy: 3.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 232
Temperature: 0.900000
Total energy: -279.812950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.812950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.812950 (E_RNA)
where:
Base-Base interactions energy: -185.689
where: short stacking energy: -75.969
Base-Backbone interact. energy: 0.852
local terms energy: -94.976455
where:
bonds (distance) C4'-P energy: -17.392
bonds (distance) P-C4' energy: -18.266
flat angles C4'-P-C4' energy: -20.031
flat angles P-C4'-P energy: -14.720
tors. eta vs tors. theta energy: -24.567
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 232
Temperature: 0.950000
Total energy: -285.571126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.571126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.571126 (E_RNA)
where:
Base-Base interactions energy: -200.300
where: short stacking energy: -84.653
Base-Backbone interact. energy: -0.748
local terms energy: -84.523215
where:
bonds (distance) C4'-P energy: -11.671
bonds (distance) P-C4' energy: -19.495
flat angles C4'-P-C4' energy: -16.013
flat angles P-C4'-P energy: -8.703
tors. eta vs tors. theta energy: -28.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 232
Temperature: 1.000000
Total energy: -276.875780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.875780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.875780 (E_RNA)
where:
Base-Base interactions energy: -190.093
where: short stacking energy: -75.210
Base-Backbone interact. energy: -0.022
local terms energy: -86.761073
where:
bonds (distance) C4'-P energy: -17.304
bonds (distance) P-C4' energy: -19.407
flat angles C4'-P-C4' energy: -16.969
flat angles P-C4'-P energy: -9.934
tors. eta vs tors. theta energy: -23.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 232
Temperature: 1.050000
Total energy: -269.715346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.715346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.715346 (E_RNA)
where:
Base-Base interactions energy: -182.684
where: short stacking energy: -77.261
Base-Backbone interact. energy: -0.911
local terms energy: -86.120792
where:
bonds (distance) C4'-P energy: -14.366
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -15.294
flat angles P-C4'-P energy: -15.578
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: 5, replica: 5
=====================================
Write number: 232
Temperature: 1.100000
Total energy: -268.003619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.003619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.003619 (E_RNA)
where:
Base-Base interactions energy: -178.338
where: short stacking energy: -70.479
Base-Backbone interact. energy: -1.078
local terms energy: -88.587838
where:
bonds (distance) C4'-P energy: -16.792
bonds (distance) P-C4' energy: -14.007
flat angles C4'-P-C4' energy: -18.506
flat angles P-C4'-P energy: -15.341
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: 6, replica: 7
=====================================
Write number: 232
Temperature: 1.150000
Total energy: -250.771415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.771415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.771415 (E_RNA)
where:
Base-Base interactions energy: -160.491
where: short stacking energy: -73.912
Base-Backbone interact. energy: 0.302
local terms energy: -90.583351
where:
bonds (distance) C4'-P energy: -14.421
bonds (distance) P-C4' energy: -16.692
flat angles C4'-P-C4' energy: -19.300
flat angles P-C4'-P energy: -13.760
tors. eta vs tors. theta energy: -26.411
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 232
Temperature: 1.200000
Total energy: -164.327036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.327036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.327036 (E_RNA)
where:
Base-Base interactions energy: -95.999
where: short stacking energy: -47.902
Base-Backbone interact. energy: -0.897
local terms energy: -67.431333
where:
bonds (distance) C4'-P energy: -17.256
bonds (distance) P-C4' energy: -15.023
flat angles C4'-P-C4' energy: -17.794
flat angles P-C4'-P energy: -7.803
tors. eta vs tors. theta energy: -9.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 232
Temperature: 1.250000
Total energy: -128.437187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.437187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.437187 (E_RNA)
where:
Base-Base interactions energy: -65.015
where: short stacking energy: -39.419
Base-Backbone interact. energy: -0.156
local terms energy: -63.266326
where:
bonds (distance) C4'-P energy: -14.489
bonds (distance) P-C4' energy: -18.643
flat angles C4'-P-C4' energy: -15.452
flat angles P-C4'-P energy: -8.869
tors. eta vs tors. theta energy: -5.813
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: 9
=====================================
Write number: 232
Temperature: 1.300000
Total energy: -93.589450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.589450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.589450 (E_RNA)
where:
Base-Base interactions energy: -32.135
where: short stacking energy: -32.135
Base-Backbone interact. energy: -0.004
local terms energy: -61.450072
where:
bonds (distance) C4'-P energy: -17.501
bonds (distance) P-C4' energy: -12.804
flat angles C4'-P-C4' energy: -15.576
flat angles P-C4'-P energy: -7.779
tors. eta vs tors. theta energy: -7.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 232
Temperature: 1.350000
Total energy: -108.157959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.157959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.157959 (E_RNA)
where:
Base-Base interactions energy: -44.928
where: short stacking energy: -37.353
Base-Backbone interact. energy: -0.153
local terms energy: -63.076791
where:
bonds (distance) C4'-P energy: -14.119
bonds (distance) P-C4' energy: -17.731
flat angles C4'-P-C4' energy: -14.457
flat angles P-C4'-P energy: -8.334
tors. eta vs tors. theta energy: -8.437
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: 1, replica: 3
=====================================
Write number: 233
Temperature: 0.900000
Total energy: -280.640098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.640098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.640098 (E_RNA)
where:
Base-Base interactions energy: -185.729
where: short stacking energy: -73.910
Base-Backbone interact. energy: -0.016
local terms energy: -94.895057
where:
bonds (distance) C4'-P energy: -20.324
bonds (distance) P-C4' energy: -20.955
flat angles C4'-P-C4' energy: -17.495
flat angles P-C4'-P energy: -13.871
tors. eta vs tors. theta energy: -22.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 233
Temperature: 0.950000
Total energy: -287.540951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.540951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.540951 (E_RNA)
where:
Base-Base interactions energy: -191.970
where: short stacking energy: -81.340
Base-Backbone interact. energy: -0.014
local terms energy: -95.556817
where:
bonds (distance) C4'-P energy: -17.959
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -20.276
flat angles P-C4'-P energy: -14.824
tors. eta vs tors. theta energy: -24.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 233
Temperature: 1.000000
Total energy: -276.873570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.873570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.873570 (E_RNA)
where:
Base-Base interactions energy: -194.310
where: short stacking energy: -80.910
Base-Backbone interact. energy: -0.322
local terms energy: -82.241714
where:
bonds (distance) C4'-P energy: -13.955
bonds (distance) P-C4' energy: -13.556
flat angles C4'-P-C4' energy: -18.464
flat angles P-C4'-P energy: -13.336
tors. eta vs tors. theta energy: -22.932
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: 4, replica: 5
=====================================
Write number: 233
Temperature: 1.050000
Total energy: -264.401924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.401924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.401924 (E_RNA)
where:
Base-Base interactions energy: -174.505
where: short stacking energy: -73.895
Base-Backbone interact. energy: -0.090
local terms energy: -89.806255
where:
bonds (distance) C4'-P energy: -16.622
bonds (distance) P-C4' energy: -15.204
flat angles C4'-P-C4' energy: -19.660
flat angles P-C4'-P energy: -14.660
tors. eta vs tors. theta energy: -23.660
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 233
Temperature: 1.100000
Total energy: -265.021811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.021811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.021811 (E_RNA)
where:
Base-Base interactions energy: -181.078
where: short stacking energy: -77.185
Base-Backbone interact. energy: -1.438
local terms energy: -82.505716
where:
bonds (distance) C4'-P energy: -15.133
bonds (distance) P-C4' energy: -18.635
flat angles C4'-P-C4' energy: -17.197
flat angles P-C4'-P energy: -9.544
tors. eta vs tors. theta energy: -21.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 233
Temperature: 1.150000
Total energy: -248.568650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.568650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.568650 (E_RNA)
where:
Base-Base interactions energy: -166.771
where: short stacking energy: -74.954
Base-Backbone interact. energy: -0.131
local terms energy: -81.666089
where:
bonds (distance) C4'-P energy: -13.807
bonds (distance) P-C4' energy: -12.310
flat angles C4'-P-C4' energy: -20.039
flat angles P-C4'-P energy: -12.709
tors. eta vs tors. theta energy: -22.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 233
Temperature: 1.200000
Total energy: -152.351733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.351733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.351733 (E_RNA)
where:
Base-Base interactions energy: -97.511
where: short stacking energy: -36.655
Base-Backbone interact. energy: 0.056
local terms energy: -54.896819
where:
bonds (distance) C4'-P energy: -17.243
bonds (distance) P-C4' energy: -13.352
flat angles C4'-P-C4' energy: -11.265
flat angles P-C4'-P energy: -6.816
tors. eta vs tors. theta energy: -6.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 233
Temperature: 1.250000
Total energy: -153.592460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.592460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.592460 (E_RNA)
where:
Base-Base interactions energy: -85.705
where: short stacking energy: -39.966
Base-Backbone interact. energy: -0.024
local terms energy: -67.863026
where:
bonds (distance) C4'-P energy: -20.397
bonds (distance) P-C4' energy: -12.294
flat angles C4'-P-C4' energy: -15.131
flat angles P-C4'-P energy: -10.539
tors. eta vs tors. theta energy: -9.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 233
Temperature: 1.300000
Total energy: -99.882939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.882939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.882939 (E_RNA)
where:
Base-Base interactions energy: -36.302
where: short stacking energy: -36.302
Base-Backbone interact. energy: -0.143
local terms energy: -63.437987
where:
bonds (distance) C4'-P energy: -17.145
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -17.322
flat angles P-C4'-P energy: -8.488
tors. eta vs tors. theta energy: -5.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 233
Temperature: 1.350000
Total energy: -83.095510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.095510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.095510 (E_RNA)
where:
Base-Base interactions energy: -25.044
where: short stacking energy: -21.560
Base-Backbone interact. energy: 0.104
local terms energy: -58.154808
where:
bonds (distance) C4'-P energy: -17.852
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -17.018
flat angles P-C4'-P energy: -10.179
tors. eta vs tors. theta energy: 3.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 234
Temperature: 0.900000
Total energy: -288.202217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.202217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.202217 (E_RNA)
where:
Base-Base interactions energy: -193.980
where: short stacking energy: -76.798
Base-Backbone interact. energy: -0.768
local terms energy: -93.453672
where:
bonds (distance) C4'-P energy: -18.585
bonds (distance) P-C4' energy: -17.538
flat angles C4'-P-C4' energy: -20.213
flat angles P-C4'-P energy: -14.269
tors. eta vs tors. theta energy: -22.848
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: 3
=====================================
Write number: 234
Temperature: 0.950000
Total energy: -281.156588 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.156588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.156588 (E_RNA)
where:
Base-Base interactions energy: -187.982
where: short stacking energy: -80.094
Base-Backbone interact. energy: -0.208
local terms energy: -92.966803
where:
bonds (distance) C4'-P energy: -17.157
bonds (distance) P-C4' energy: -17.952
flat angles C4'-P-C4' energy: -20.514
flat angles P-C4'-P energy: -12.260
tors. eta vs tors. theta energy: -25.083
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: 8
=====================================
Write number: 234
Temperature: 1.000000
Total energy: -276.653488 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.653488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.653488 (E_RNA)
where:
Base-Base interactions energy: -190.760
where: short stacking energy: -71.218
Base-Backbone interact. energy: -0.617
local terms energy: -85.276542
where:
bonds (distance) C4'-P energy: -18.147
bonds (distance) P-C4' energy: -20.801
flat angles C4'-P-C4' energy: -12.552
flat angles P-C4'-P energy: -14.575
tors. eta vs tors. theta energy: -19.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 234
Temperature: 1.050000
Total energy: -267.827142 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.827142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.827142 (E_RNA)
where:
Base-Base interactions energy: -189.194
where: short stacking energy: -81.041
Base-Backbone interact. energy: -0.103
local terms energy: -78.529952
where:
bonds (distance) C4'-P energy: -15.745
bonds (distance) P-C4' energy: -13.070
flat angles C4'-P-C4' energy: -16.767
flat angles P-C4'-P energy: -8.734
tors. eta vs tors. theta energy: -24.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 234
Temperature: 1.100000
Total energy: -260.006409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.006409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.006409 (E_RNA)
where:
Base-Base interactions energy: -165.873
where: short stacking energy: -66.095
Base-Backbone interact. energy: -0.001
local terms energy: -94.132447
where:
bonds (distance) C4'-P energy: -19.882
bonds (distance) P-C4' energy: -16.788
flat angles C4'-P-C4' energy: -19.164
flat angles P-C4'-P energy: -12.912
tors. eta vs tors. theta energy: -25.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 234
Temperature: 1.150000
Total energy: -271.116293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.116293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.116293 (E_RNA)
where:
Base-Base interactions energy: -187.613
where: short stacking energy: -74.195
Base-Backbone interact. energy: -0.172
local terms energy: -83.330683
where:
bonds (distance) C4'-P energy: -11.383
bonds (distance) P-C4' energy: -15.924
flat angles C4'-P-C4' energy: -19.991
flat angles P-C4'-P energy: -12.730
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: 1
=====================================
Write number: 234
Temperature: 1.200000
Total energy: -155.647828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.647828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.647828 (E_RNA)
where:
Base-Base interactions energy: -91.911
where: short stacking energy: -57.866
Base-Backbone interact. energy: -0.233
local terms energy: -63.503948
where:
bonds (distance) C4'-P energy: -13.832
bonds (distance) P-C4' energy: -10.647
flat angles C4'-P-C4' energy: -14.386
flat angles P-C4'-P energy: -12.224
tors. eta vs tors. theta energy: -12.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 234
Temperature: 1.250000
Total energy: -100.860051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.860051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.860051 (E_RNA)
where:
Base-Base interactions energy: -45.244
where: short stacking energy: -23.028
Base-Backbone interact. energy: 1.464
local terms energy: -57.080640
where:
bonds (distance) C4'-P energy: -19.136
bonds (distance) P-C4' energy: -18.104
flat angles C4'-P-C4' energy: -16.744
flat angles P-C4'-P energy: -7.782
tors. eta vs tors. theta energy: 4.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 234
Temperature: 1.300000
Total energy: -82.447604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.447604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.447604 (E_RNA)
where:
Base-Base interactions energy: -31.339
where: short stacking energy: -28.320
Base-Backbone interact. energy: 1.162
local terms energy: -52.271303
where:
bonds (distance) C4'-P energy: -14.495
bonds (distance) P-C4' energy: -15.494
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -7.410
tors. eta vs tors. theta energy: 1.112
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 234
Temperature: 1.350000
Total energy: -94.507040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.507040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.507040 (E_RNA)
where:
Base-Base interactions energy: -35.423
where: short stacking energy: -31.683
Base-Backbone interact. energy: -0.943
local terms energy: -58.141211
where:
bonds (distance) C4'-P energy: -18.829
bonds (distance) P-C4' energy: -16.044
flat angles C4'-P-C4' energy: -15.482
flat angles P-C4'-P energy: -7.535
tors. eta vs tors. theta energy: -0.251
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 235
Temperature: 0.900000
Total energy: -285.136291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.136291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.136291 (E_RNA)
where:
Base-Base interactions energy: -194.614
where: short stacking energy: -69.725
Base-Backbone interact. energy: -0.076
local terms energy: -90.446494
where:
bonds (distance) C4'-P energy: -16.991
bonds (distance) P-C4' energy: -15.729
flat angles C4'-P-C4' energy: -20.882
flat angles P-C4'-P energy: -13.893
tors. eta vs tors. theta energy: -22.952
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: 2, replica: 3
=====================================
Write number: 235
Temperature: 0.950000
Total energy: -288.384928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.384928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.384928 (E_RNA)
where:
Base-Base interactions energy: -193.848
where: short stacking energy: -82.912
Base-Backbone interact. energy: -0.117
local terms energy: -94.419521
where:
bonds (distance) C4'-P energy: -17.174
bonds (distance) P-C4' energy: -17.623
flat angles C4'-P-C4' energy: -19.872
flat angles P-C4'-P energy: -13.159
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: 3, replica: 8
=====================================
Write number: 235
Temperature: 1.000000
Total energy: -282.034467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.034467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.034467 (E_RNA)
where:
Base-Base interactions energy: -192.219
where: short stacking energy: -71.724
Base-Backbone interact. energy: -0.060
local terms energy: -89.755756
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -18.716
flat angles C4'-P-C4' energy: -19.391
flat angles P-C4'-P energy: -14.941
tors. eta vs tors. theta energy: -20.589
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 235
Temperature: 1.050000
Total energy: -268.409020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.409020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.409020 (E_RNA)
where:
Base-Base interactions energy: -185.998
where: short stacking energy: -73.640
Base-Backbone interact. energy: 0.026
local terms energy: -82.437413
where:
bonds (distance) C4'-P energy: -18.075
bonds (distance) P-C4' energy: -19.766
flat angles C4'-P-C4' energy: -11.159
flat angles P-C4'-P energy: -11.927
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: 5, replica: 5
=====================================
Write number: 235
Temperature: 1.100000
Total energy: -266.295093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.295093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.295093 (E_RNA)
where:
Base-Base interactions energy: -177.240
where: short stacking energy: -73.569
Base-Backbone interact. energy: -0.055
local terms energy: -88.999981
where:
bonds (distance) C4'-P energy: -16.954
bonds (distance) P-C4' energy: -18.241
flat angles C4'-P-C4' energy: -17.393
flat angles P-C4'-P energy: -13.289
tors. eta vs tors. theta energy: -23.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 235
Temperature: 1.150000
Total energy: -252.239891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.239891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.239891 (E_RNA)
where:
Base-Base interactions energy: -167.883
where: short stacking energy: -67.154
Base-Backbone interact. energy: -0.112
local terms energy: -84.244854
where:
bonds (distance) C4'-P energy: -18.263
bonds (distance) P-C4' energy: -18.183
flat angles C4'-P-C4' energy: -16.240
flat angles P-C4'-P energy: -8.169
tors. eta vs tors. theta energy: -23.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 235
Temperature: 1.200000
Total energy: -167.374285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.374285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.374285 (E_RNA)
where:
Base-Base interactions energy: -110.701
where: short stacking energy: -49.104
Base-Backbone interact. energy: -0.193
local terms energy: -56.480765
where:
bonds (distance) C4'-P energy: -11.277
bonds (distance) P-C4' energy: -14.198
flat angles C4'-P-C4' energy: -19.682
flat angles P-C4'-P energy: -5.589
tors. eta vs tors. theta energy: -5.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 235
Temperature: 1.250000
Total energy: -104.613581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.613581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.613581 (E_RNA)
where:
Base-Base interactions energy: -56.262
where: short stacking energy: -36.634
Base-Backbone interact. energy: -0.955
local terms energy: -47.397171
where:
bonds (distance) C4'-P energy: -12.341
bonds (distance) P-C4' energy: -17.076
flat angles C4'-P-C4' energy: -19.558
flat angles P-C4'-P energy: 1.589
tors. eta vs tors. theta energy: -0.011
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 235
Temperature: 1.300000
Total energy: -100.881291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.881291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.881291 (E_RNA)
where:
Base-Base interactions energy: -57.969
where: short stacking energy: -26.912
Base-Backbone interact. energy: -0.456
local terms energy: -42.456198
where:
bonds (distance) C4'-P energy: -8.984
bonds (distance) P-C4' energy: -9.835
flat angles C4'-P-C4' energy: -10.577
flat angles P-C4'-P energy: -11.432
tors. eta vs tors. theta energy: -1.629
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 235
Temperature: 1.350000
Total energy: -85.093630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.093630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.093630 (E_RNA)
where:
Base-Base interactions energy: -36.658
where: short stacking energy: -29.966
Base-Backbone interact. energy: -0.224
local terms energy: -48.211083
where:
bonds (distance) C4'-P energy: -13.536
bonds (distance) P-C4' energy: -12.340
flat angles C4'-P-C4' energy: -14.211
flat angles P-C4'-P energy: -9.506
tors. eta vs tors. theta energy: 1.381
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: 1, replica: 3
=====================================
Write number: 236
Temperature: 0.900000
Total energy: -291.064658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.064658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.064658 (E_RNA)
where:
Base-Base interactions energy: -199.156
where: short stacking energy: -81.991
Base-Backbone interact. energy: -1.416
local terms energy: -90.492380
where:
bonds (distance) C4'-P energy: -19.018
bonds (distance) P-C4' energy: -18.527
flat angles C4'-P-C4' energy: -16.455
flat angles P-C4'-P energy: -11.742
tors. eta vs tors. theta energy: -24.750
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 236
Temperature: 0.950000
Total energy: -287.139483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.139483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.139483 (E_RNA)
where:
Base-Base interactions energy: -192.900
where: short stacking energy: -82.013
Base-Backbone interact. energy: -0.083
local terms energy: -94.156611
where:
bonds (distance) C4'-P energy: -18.648
bonds (distance) P-C4' energy: -19.145
flat angles C4'-P-C4' energy: -17.707
flat angles P-C4'-P energy: -13.137
tors. eta vs tors. theta energy: -25.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 236
Temperature: 1.000000
Total energy: -287.440618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.440618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.440618 (E_RNA)
where:
Base-Base interactions energy: -192.548
where: short stacking energy: -75.990
Base-Backbone interact. energy: -0.000
local terms energy: -94.892790
where:
bonds (distance) C4'-P energy: -17.719
bonds (distance) P-C4' energy: -19.470
flat angles C4'-P-C4' energy: -20.418
flat angles P-C4'-P energy: -11.878
tors. eta vs tors. theta energy: -25.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 236
Temperature: 1.050000
Total energy: -263.744695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.744695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.744695 (E_RNA)
where:
Base-Base interactions energy: -185.962
where: short stacking energy: -74.140
Base-Backbone interact. energy: -0.006
local terms energy: -77.777112
where:
bonds (distance) C4'-P energy: -9.730
bonds (distance) P-C4' energy: -16.036
flat angles C4'-P-C4' energy: -13.126
flat angles P-C4'-P energy: -12.858
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: 236
Temperature: 1.100000
Total energy: -271.343581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.343581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.343581 (E_RNA)
where:
Base-Base interactions energy: -185.397
where: short stacking energy: -81.557
Base-Backbone interact. energy: -0.260
local terms energy: -85.686710
where:
bonds (distance) C4'-P energy: -15.082
bonds (distance) P-C4' energy: -15.330
flat angles C4'-P-C4' energy: -17.029
flat angles P-C4'-P energy: -13.337
tors. eta vs tors. theta energy: -24.908
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: 7
=====================================
Write number: 236
Temperature: 1.150000
Total energy: -260.152537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.152537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.152537 (E_RNA)
where:
Base-Base interactions energy: -171.433
where: short stacking energy: -77.423
Base-Backbone interact. energy: -0.063
local terms energy: -88.655824
where:
bonds (distance) C4'-P energy: -17.972
bonds (distance) P-C4' energy: -18.720
flat angles C4'-P-C4' energy: -16.121
flat angles P-C4'-P energy: -7.660
tors. eta vs tors. theta energy: -28.183
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: 1
=====================================
Write number: 236
Temperature: 1.200000
Total energy: -149.777248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.777248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.777248 (E_RNA)
where:
Base-Base interactions energy: -86.127
where: short stacking energy: -45.160
Base-Backbone interact. energy: -0.252
local terms energy: -63.398726
where:
bonds (distance) C4'-P energy: -13.435
bonds (distance) P-C4' energy: -17.662
flat angles C4'-P-C4' energy: -13.025
flat angles P-C4'-P energy: -10.613
tors. eta vs tors. theta energy: -8.663
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: 2
=====================================
Write number: 236
Temperature: 1.250000
Total energy: -97.840577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.840577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.840577 (E_RNA)
where:
Base-Base interactions energy: -27.247
where: short stacking energy: -23.693
Base-Backbone interact. energy: -0.588
local terms energy: -70.005769
where:
bonds (distance) C4'-P energy: -18.590
bonds (distance) P-C4' energy: -20.676
flat angles C4'-P-C4' energy: -20.165
flat angles P-C4'-P energy: -10.048
tors. eta vs tors. theta energy: -0.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 236
Temperature: 1.300000
Total energy: -97.327924 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.327924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.327924 (E_RNA)
where:
Base-Base interactions energy: -38.849
where: short stacking energy: -36.265
Base-Backbone interact. energy: -0.268
local terms energy: -58.210690
where:
bonds (distance) C4'-P energy: -18.024
bonds (distance) P-C4' energy: -13.207
flat angles C4'-P-C4' energy: -16.459
flat angles P-C4'-P energy: -5.473
tors. eta vs tors. theta energy: -5.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 236
Temperature: 1.350000
Total energy: -85.903116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.903116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.903116 (E_RNA)
where:
Base-Base interactions energy: -28.533
where: short stacking energy: -15.536
Base-Backbone interact. energy: -1.080
local terms energy: -56.289459
where:
bonds (distance) C4'-P energy: -19.194
bonds (distance) P-C4' energy: -18.615
flat angles C4'-P-C4' energy: -13.686
flat angles P-C4'-P energy: -3.411
tors. eta vs tors. theta energy: -1.382
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 237
Temperature: 0.900000
Total energy: -286.759675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.759675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.759675 (E_RNA)
where:
Base-Base interactions energy: -196.308
where: short stacking energy: -78.176
Base-Backbone interact. energy: -0.044
local terms energy: -90.406794
where:
bonds (distance) C4'-P energy: -15.875
bonds (distance) P-C4' energy: -16.653
flat angles C4'-P-C4' energy: -17.900
flat angles P-C4'-P energy: -14.130
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: 2, replica: 10
=====================================
Write number: 237
Temperature: 0.950000
Total energy: -283.672150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.672150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.672150 (E_RNA)
where:
Base-Base interactions energy: -194.274
where: short stacking energy: -76.146
Base-Backbone interact. energy: -0.462
local terms energy: -88.936542
where:
bonds (distance) C4'-P energy: -18.493
bonds (distance) P-C4' energy: -15.753
flat angles C4'-P-C4' energy: -17.830
flat angles P-C4'-P energy: -11.249
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: 3, replica: 4
=====================================
Write number: 237
Temperature: 1.000000
Total energy: -285.790627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.790627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.790627 (E_RNA)
where:
Base-Base interactions energy: -198.075
where: short stacking energy: -82.147
Base-Backbone interact. energy: -0.167
local terms energy: -87.549045
where:
bonds (distance) C4'-P energy: -17.199
bonds (distance) P-C4' energy: -13.345
flat angles C4'-P-C4' energy: -17.894
flat angles P-C4'-P energy: -11.217
tors. eta vs tors. theta energy: -27.894
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 237
Temperature: 1.050000
Total energy: -249.518657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.518657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.518657 (E_RNA)
where:
Base-Base interactions energy: -177.770
where: short stacking energy: -75.594
Base-Backbone interact. energy: -0.126
local terms energy: -71.622584
where:
bonds (distance) C4'-P energy: -9.670
bonds (distance) P-C4' energy: -16.746
flat angles C4'-P-C4' energy: -12.301
flat angles P-C4'-P energy: -14.000
tors. eta vs tors. theta energy: -18.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 237
Temperature: 1.100000
Total energy: -279.170213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.170213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.170213 (E_RNA)
where:
Base-Base interactions energy: -186.360
where: short stacking energy: -77.279
Base-Backbone interact. energy: -0.921
local terms energy: -91.889106
where:
bonds (distance) C4'-P energy: -17.098
bonds (distance) P-C4' energy: -14.807
flat angles C4'-P-C4' energy: -19.116
flat angles P-C4'-P energy: -13.415
tors. eta vs tors. theta energy: -27.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 237
Temperature: 1.150000
Total energy: -252.400934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.400934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.400934 (E_RNA)
where:
Base-Base interactions energy: -166.881
where: short stacking energy: -69.354
Base-Backbone interact. energy: -0.095
local terms energy: -85.424158
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -19.397
flat angles C4'-P-C4' energy: -15.878
flat angles P-C4'-P energy: -13.112
tors. eta vs tors. theta energy: -22.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 237
Temperature: 1.200000
Total energy: -144.526704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.526704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.526704 (E_RNA)
where:
Base-Base interactions energy: -82.175
where: short stacking energy: -43.266
Base-Backbone interact. energy: -0.063
local terms energy: -62.289037
where:
bonds (distance) C4'-P energy: -14.542
bonds (distance) P-C4' energy: -16.951
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -8.231
tors. eta vs tors. theta energy: -8.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 237
Temperature: 1.250000
Total energy: -120.199417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.199417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.199417 (E_RNA)
where:
Base-Base interactions energy: -62.145
where: short stacking energy: -36.697
Base-Backbone interact. energy: -0.411
local terms energy: -57.643701
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -9.449
flat angles C4'-P-C4' energy: -16.485
flat angles P-C4'-P energy: -11.439
tors. eta vs tors. theta energy: -5.461
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 237
Temperature: 1.300000
Total energy: -94.134214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.134214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.134214 (E_RNA)
where:
Base-Base interactions energy: -47.130
where: short stacking energy: -31.329
Base-Backbone interact. energy: -0.013
local terms energy: -46.991074
where:
bonds (distance) C4'-P energy: -11.717
bonds (distance) P-C4' energy: -16.274
flat angles C4'-P-C4' energy: -13.649
flat angles P-C4'-P energy: 1.505
tors. eta vs tors. theta energy: -6.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 237
Temperature: 1.350000
Total energy: -86.864371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.864371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.864371 (E_RNA)
where:
Base-Base interactions energy: -33.138
where: short stacking energy: -29.117
Base-Backbone interact. energy: -0.376
local terms energy: -53.350373
where:
bonds (distance) C4'-P energy: -17.336
bonds (distance) P-C4' energy: -16.533
flat angles C4'-P-C4' energy: -10.221
flat angles P-C4'-P energy: -8.290
tors. eta vs tors. theta energy: -0.970
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 238
Temperature: 0.900000
Total energy: -283.033483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.033483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.033483 (E_RNA)
where:
Base-Base interactions energy: -193.393
where: short stacking energy: -79.626
Base-Backbone interact. energy: -1.797
local terms energy: -87.844102
where:
bonds (distance) C4'-P energy: -15.341
bonds (distance) P-C4' energy: -17.809
flat angles C4'-P-C4' energy: -19.070
flat angles P-C4'-P energy: -13.949
tors. eta vs tors. theta energy: -21.675
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 238
Temperature: 0.950000
Total energy: -278.813684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.813684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.813684 (E_RNA)
where:
Base-Base interactions energy: -189.971
where: short stacking energy: -75.754
Base-Backbone interact. energy: 0.796
local terms energy: -89.639052
where:
bonds (distance) C4'-P energy: -19.683
bonds (distance) P-C4' energy: -15.545
flat angles C4'-P-C4' energy: -15.113
flat angles P-C4'-P energy: -13.964
tors. eta vs tors. theta energy: -25.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 238
Temperature: 1.000000
Total energy: -268.577373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.577373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.577373 (E_RNA)
where:
Base-Base interactions energy: -185.326
where: short stacking energy: -74.539
Base-Backbone interact. energy: -0.717
local terms energy: -82.535056
where:
bonds (distance) C4'-P energy: -15.761
bonds (distance) P-C4' energy: -17.020
flat angles C4'-P-C4' energy: -18.546
flat angles P-C4'-P energy: -8.780
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: 238
Temperature: 1.050000
Total energy: -275.163219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.163219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.163219 (E_RNA)
where:
Base-Base interactions energy: -195.922
where: short stacking energy: -78.610
Base-Backbone interact. energy: -0.149
local terms energy: -79.092055
where:
bonds (distance) C4'-P energy: -14.523
bonds (distance) P-C4' energy: -14.466
flat angles C4'-P-C4' energy: -14.577
flat angles P-C4'-P energy: -14.072
tors. eta vs tors. theta energy: -21.453
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 238
Temperature: 1.100000
Total energy: -272.375500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.375500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.375500 (E_RNA)
where:
Base-Base interactions energy: -188.990
where: short stacking energy: -80.731
Base-Backbone interact. energy: -0.003
local terms energy: -83.382621
where:
bonds (distance) C4'-P energy: -12.508
bonds (distance) P-C4' energy: -15.398
flat angles C4'-P-C4' energy: -18.237
flat angles P-C4'-P energy: -12.214
tors. eta vs tors. theta energy: -25.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 238
Temperature: 1.150000
Total energy: -259.091784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.091784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.091784 (E_RNA)
where:
Base-Base interactions energy: -177.602
where: short stacking energy: -74.344
Base-Backbone interact. energy: 0.765
local terms energy: -82.254096
where:
bonds (distance) C4'-P energy: -16.167
bonds (distance) P-C4' energy: -16.191
flat angles C4'-P-C4' energy: -18.219
flat angles P-C4'-P energy: -9.943
tors. eta vs tors. theta energy: -21.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 238
Temperature: 1.200000
Total energy: -140.581401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -140.581401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -140.581401 (E_RNA)
where:
Base-Base interactions energy: -74.206
where: short stacking energy: -40.682
Base-Backbone interact. energy: -0.071
local terms energy: -66.304735
where:
bonds (distance) C4'-P energy: -16.921
bonds (distance) P-C4' energy: -16.959
flat angles C4'-P-C4' energy: -11.510
flat angles P-C4'-P energy: -11.587
tors. eta vs tors. theta energy: -9.327
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: 1
=====================================
Write number: 238
Temperature: 1.250000
Total energy: -113.600315 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.600315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.600315 (E_RNA)
where:
Base-Base interactions energy: -52.178
where: short stacking energy: -30.577
Base-Backbone interact. energy: -0.466
local terms energy: -60.956376
where:
bonds (distance) C4'-P energy: -16.708
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -12.083
flat angles P-C4'-P energy: -13.162
tors. eta vs tors. theta energy: -2.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 238
Temperature: 1.300000
Total energy: -98.998127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.998127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.998127 (E_RNA)
where:
Base-Base interactions energy: -42.175
where: short stacking energy: -31.878
Base-Backbone interact. energy: -0.392
local terms energy: -56.431742
where:
bonds (distance) C4'-P energy: -17.083
bonds (distance) P-C4' energy: -13.992
flat angles C4'-P-C4' energy: -15.716
flat angles P-C4'-P energy: -4.106
tors. eta vs tors. theta energy: -5.535
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: 6
=====================================
Write number: 238
Temperature: 1.350000
Total energy: -82.239485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.239485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.239485 (E_RNA)
where:
Base-Base interactions energy: -23.570
where: short stacking energy: -20.790
Base-Backbone interact. energy: -0.577
local terms energy: -58.091689
where:
bonds (distance) C4'-P energy: -12.479
bonds (distance) P-C4' energy: -18.356
flat angles C4'-P-C4' energy: -11.110
flat angles P-C4'-P energy: -14.923
tors. eta vs tors. theta energy: -1.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 239
Temperature: 0.900000
Total energy: -286.391341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.391341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.391341 (E_RNA)
where:
Base-Base interactions energy: -185.411
where: short stacking energy: -84.789
Base-Backbone interact. energy: -0.484
local terms energy: -100.496629
where:
bonds (distance) C4'-P energy: -20.018
bonds (distance) P-C4' energy: -19.785
flat angles C4'-P-C4' energy: -20.166
flat angles P-C4'-P energy: -15.248
tors. eta vs tors. theta energy: -25.280
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 239
Temperature: 0.950000
Total energy: -277.737822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.737822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.737822 (E_RNA)
where:
Base-Base interactions energy: -190.604
where: short stacking energy: -77.967
Base-Backbone interact. energy: -1.581
local terms energy: -85.552938
where:
bonds (distance) C4'-P energy: -12.590
bonds (distance) P-C4' energy: -18.425
flat angles C4'-P-C4' energy: -15.231
flat angles P-C4'-P energy: -13.309
tors. eta vs tors. theta energy: -25.998
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: 3
=====================================
Write number: 239
Temperature: 1.000000
Total energy: -278.454323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.454323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.454323 (E_RNA)
where:
Base-Base interactions energy: -186.567
where: short stacking energy: -80.896
Base-Backbone interact. energy: -0.575
local terms energy: -91.311965
where:
bonds (distance) C4'-P energy: -18.056
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -15.084
flat angles P-C4'-P energy: -14.408
tors. eta vs tors. theta energy: -27.477
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: 8
=====================================
Write number: 239
Temperature: 1.050000
Total energy: -281.805486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.805486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.805486 (E_RNA)
where:
Base-Base interactions energy: -192.700
where: short stacking energy: -75.666
Base-Backbone interact. energy: -0.408
local terms energy: -88.697920
where:
bonds (distance) C4'-P energy: -17.331
bonds (distance) P-C4' energy: -17.819
flat angles C4'-P-C4' energy: -14.953
flat angles P-C4'-P energy: -14.653
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: 5, replica: 4
=====================================
Write number: 239
Temperature: 1.100000
Total energy: -262.013736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.013736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.013736 (E_RNA)
where:
Base-Base interactions energy: -175.773
where: short stacking energy: -76.690
Base-Backbone interact. energy: 0.018
local terms energy: -86.259467
where:
bonds (distance) C4'-P energy: -15.535
bonds (distance) P-C4' energy: -13.438
flat angles C4'-P-C4' energy: -18.883
flat angles P-C4'-P energy: -14.852
tors. eta vs tors. theta energy: -23.552
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: 6, replica: 7
=====================================
Write number: 239
Temperature: 1.150000
Total energy: -247.055252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.055252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.055252 (E_RNA)
where:
Base-Base interactions energy: -170.968
where: short stacking energy: -66.513
Base-Backbone interact. energy: -2.117
local terms energy: -73.971011
where:
bonds (distance) C4'-P energy: -17.704
bonds (distance) P-C4' energy: -14.732
flat angles C4'-P-C4' energy: -15.157
flat angles P-C4'-P energy: -8.715
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: 7, replica: 2
=====================================
Write number: 239
Temperature: 1.200000
Total energy: -172.409352 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.409352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.409352 (E_RNA)
where:
Base-Base interactions energy: -101.494
where: short stacking energy: -40.694
Base-Backbone interact. energy: -0.096
local terms energy: -70.818744
where:
bonds (distance) C4'-P energy: -18.121
bonds (distance) P-C4' energy: -14.685
flat angles C4'-P-C4' energy: -13.813
flat angles P-C4'-P energy: -7.243
tors. eta vs tors. theta energy: -16.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 239
Temperature: 1.250000
Total energy: -91.908835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.908835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.908835 (E_RNA)
where:
Base-Base interactions energy: -36.208
where: short stacking energy: -25.915
Base-Backbone interact. energy: -0.420
local terms energy: -55.281111
where:
bonds (distance) C4'-P energy: -15.058
bonds (distance) P-C4' energy: -16.822
flat angles C4'-P-C4' energy: -15.802
flat angles P-C4'-P energy: -10.308
tors. eta vs tors. theta energy: 2.709
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 239
Temperature: 1.300000
Total energy: -96.619231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.619231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.619231 (E_RNA)
where:
Base-Base interactions energy: -34.693
where: short stacking energy: -33.502
Base-Backbone interact. energy: -0.015
local terms energy: -61.911047
where:
bonds (distance) C4'-P energy: -12.767
bonds (distance) P-C4' energy: -14.992
flat angles C4'-P-C4' energy: -17.790
flat angles P-C4'-P energy: -8.039
tors. eta vs tors. theta energy: -8.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 6
=====================================
Write number: 239
Temperature: 1.350000
Total energy: -86.450653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.450653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.450653 (E_RNA)
where:
Base-Base interactions energy: -33.566
where: short stacking energy: -28.623
Base-Backbone interact. energy: -0.681
local terms energy: -52.203811
where:
bonds (distance) C4'-P energy: -16.274
bonds (distance) P-C4' energy: -13.217
flat angles C4'-P-C4' energy: -11.639
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: -0.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 240
Temperature: 0.900000
Total energy: -294.967003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.967003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.967003 (E_RNA)
where:
Base-Base interactions energy: -203.838
where: short stacking energy: -86.470
Base-Backbone interact. energy: -0.001
local terms energy: -91.128581
where:
bonds (distance) C4'-P energy: -20.411
bonds (distance) P-C4' energy: -9.426
flat angles C4'-P-C4' energy: -18.321
flat angles P-C4'-P energy: -14.948
tors. eta vs tors. theta energy: -28.023
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: 5
=====================================
Write number: 240
Temperature: 0.950000
Total energy: -286.171636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.171636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.171636 (E_RNA)
where:
Base-Base interactions energy: -197.279
where: short stacking energy: -86.640
Base-Backbone interact. energy: 1.315
local terms energy: -90.207606
where:
bonds (distance) C4'-P energy: -11.083
bonds (distance) P-C4' energy: -17.182
flat angles C4'-P-C4' energy: -21.184
flat angles P-C4'-P energy: -15.075
tors. eta vs tors. theta energy: -25.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 240
Temperature: 1.000000
Total energy: -281.735001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.735001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.735001 (E_RNA)
where:
Base-Base interactions energy: -191.495
where: short stacking energy: -78.367
Base-Backbone interact. energy: -0.073
local terms energy: -90.167006
where:
bonds (distance) C4'-P energy: -17.384
bonds (distance) P-C4' energy: -18.119
flat angles C4'-P-C4' energy: -19.818
flat angles P-C4'-P energy: -11.172
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: 240
Temperature: 1.050000
Total energy: -275.232934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.232934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.232934 (E_RNA)
where:
Base-Base interactions energy: -183.085
where: short stacking energy: -70.000
Base-Backbone interact. energy: -0.784
local terms energy: -91.364663
where:
bonds (distance) C4'-P energy: -14.859
bonds (distance) P-C4' energy: -19.480
flat angles C4'-P-C4' energy: -17.905
flat angles P-C4'-P energy: -11.706
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: 5, replica: 4
=====================================
Write number: 240
Temperature: 1.100000
Total energy: -275.920779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.920779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.920779 (E_RNA)
where:
Base-Base interactions energy: -186.684
where: short stacking energy: -80.295
Base-Backbone interact. energy: -0.216
local terms energy: -89.020617
where:
bonds (distance) C4'-P energy: -17.194
bonds (distance) P-C4' energy: -16.412
flat angles C4'-P-C4' energy: -16.564
flat angles P-C4'-P energy: -11.530
tors. eta vs tors. theta energy: -27.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 240
Temperature: 1.150000
Total energy: -184.520117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.520117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.520117 (E_RNA)
where:
Base-Base interactions energy: -106.980
where: short stacking energy: -55.849
Base-Backbone interact. energy: 0.387
local terms energy: -77.926824
where:
bonds (distance) C4'-P energy: -17.740
bonds (distance) P-C4' energy: -13.574
flat angles C4'-P-C4' energy: -18.494
flat angles P-C4'-P energy: -9.231
tors. eta vs tors. theta energy: -18.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 240
Temperature: 1.200000
Total energy: -166.025726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.025726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.025726 (E_RNA)
where:
Base-Base interactions energy: -105.991
where: short stacking energy: -46.643
Base-Backbone interact. energy: 0.523
local terms energy: -60.557921
where:
bonds (distance) C4'-P energy: -14.821
bonds (distance) P-C4' energy: -13.884
flat angles C4'-P-C4' energy: -14.623
flat angles P-C4'-P energy: -11.795
tors. eta vs tors. theta energy: -5.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 240
Temperature: 1.250000
Total energy: -113.834124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.834124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.834124 (E_RNA)
where:
Base-Base interactions energy: -53.929
where: short stacking energy: -40.571
Base-Backbone interact. energy: 2.401
local terms energy: -62.306091
where:
bonds (distance) C4'-P energy: -16.010
bonds (distance) P-C4' energy: -16.062
flat angles C4'-P-C4' energy: -16.343
flat angles P-C4'-P energy: -10.179
tors. eta vs tors. theta energy: -3.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 6
=====================================
Write number: 240
Temperature: 1.300000
Total energy: -88.358986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.358986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.358986 (E_RNA)
where:
Base-Base interactions energy: -33.572
where: short stacking energy: -20.520
Base-Backbone interact. energy: -0.158
local terms energy: -54.628785
where:
bonds (distance) C4'-P energy: -17.344
bonds (distance) P-C4' energy: -15.917
flat angles C4'-P-C4' energy: -16.284
flat angles P-C4'-P energy: -6.885
tors. eta vs tors. theta energy: 1.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 240
Temperature: 1.350000
Total energy: -96.718808 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.718808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.718808 (E_RNA)
where:
Base-Base interactions energy: -35.115
where: short stacking energy: -33.957
Base-Backbone interact. energy: -0.202
local terms energy: -61.402367
where:
bonds (distance) C4'-P energy: -15.190
bonds (distance) P-C4' energy: -15.660
flat angles C4'-P-C4' energy: -16.365
flat angles P-C4'-P energy: -9.484
tors. eta vs tors. theta energy: -4.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 241
Temperature: 0.900000
Total energy: -286.156719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.156719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.156719 (E_RNA)
where:
Base-Base interactions energy: -194.849
where: short stacking energy: -71.256
Base-Backbone interact. energy: -0.070
local terms energy: -91.237121
where:
bonds (distance) C4'-P energy: -20.361
bonds (distance) P-C4' energy: -18.767
flat angles C4'-P-C4' energy: -18.221
flat angles P-C4'-P energy: -10.355
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: 2, replica: 8
=====================================
Write number: 241
Temperature: 0.950000
Total energy: -282.657161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.657161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.657161 (E_RNA)
where:
Base-Base interactions energy: -193.753
where: short stacking energy: -76.655
Base-Backbone interact. energy: -0.939
local terms energy: -87.965097
where:
bonds (distance) C4'-P energy: -17.597
bonds (distance) P-C4' energy: -15.957
flat angles C4'-P-C4' energy: -16.845
flat angles P-C4'-P energy: -13.802
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: 3, replica: 5
=====================================
Write number: 241
Temperature: 1.000000
Total energy: -279.282078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.282078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.282078 (E_RNA)
where:
Base-Base interactions energy: -189.424
where: short stacking energy: -77.306
Base-Backbone interact. energy: -0.989
local terms energy: -88.869154
where:
bonds (distance) C4'-P energy: -19.901
bonds (distance) P-C4' energy: -14.052
flat angles C4'-P-C4' energy: -17.115
flat angles P-C4'-P energy: -13.612
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: 4, replica: 4
=====================================
Write number: 241
Temperature: 1.050000
Total energy: -273.867910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.867910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.867910 (E_RNA)
where:
Base-Base interactions energy: -188.484
where: short stacking energy: -78.154
Base-Backbone interact. energy: -0.513
local terms energy: -84.871143
where:
bonds (distance) C4'-P energy: -14.446
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -17.930
flat angles P-C4'-P energy: -11.390
tors. eta vs tors. theta energy: -24.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 241
Temperature: 1.100000
Total energy: -267.858465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.858465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.858465 (E_RNA)
where:
Base-Base interactions energy: -188.351
where: short stacking energy: -73.955
Base-Backbone interact. energy: -0.285
local terms energy: -79.221798
where:
bonds (distance) C4'-P energy: -9.704
bonds (distance) P-C4' energy: -16.244
flat angles C4'-P-C4' energy: -16.818
flat angles P-C4'-P energy: -14.806
tors. eta vs tors. theta energy: -21.650
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 241
Temperature: 1.150000
Total energy: -175.194212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.194212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.194212 (E_RNA)
where:
Base-Base interactions energy: -111.359
where: short stacking energy: -53.992
Base-Backbone interact. energy: 0.047
local terms energy: -63.881646
where:
bonds (distance) C4'-P energy: -14.195
bonds (distance) P-C4' energy: -14.659
flat angles C4'-P-C4' energy: -8.881
flat angles P-C4'-P energy: -13.485
tors. eta vs tors. theta energy: -12.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 241
Temperature: 1.200000
Total energy: -210.270448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.270448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.270448 (E_RNA)
where:
Base-Base interactions energy: -135.645
where: short stacking energy: -62.352
Base-Backbone interact. energy: -0.603
local terms energy: -74.022845
where:
bonds (distance) C4'-P energy: -17.529
bonds (distance) P-C4' energy: -16.036
flat angles C4'-P-C4' energy: -14.801
flat angles P-C4'-P energy: -9.193
tors. eta vs tors. theta energy: -16.464
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: 241
Temperature: 1.250000
Total energy: -156.717881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -156.717881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -156.717881 (E_RNA)
where:
Base-Base interactions energy: -95.834
where: short stacking energy: -41.811
Base-Backbone interact. energy: -0.317
local terms energy: -60.566252
where:
bonds (distance) C4'-P energy: -18.404
bonds (distance) P-C4' energy: -18.305
flat angles C4'-P-C4' energy: -15.144
flat angles P-C4'-P energy: -3.627
tors. eta vs tors. theta energy: -5.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 241
Temperature: 1.300000
Total energy: -86.658784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.658784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.658784 (E_RNA)
where:
Base-Base interactions energy: -34.726
where: short stacking energy: -32.426
Base-Backbone interact. energy: 0.206
local terms energy: -52.138210
where:
bonds (distance) C4'-P energy: -12.480
bonds (distance) P-C4' energy: -15.570
flat angles C4'-P-C4' energy: -14.307
flat angles P-C4'-P energy: -5.207
tors. eta vs tors. theta energy: -4.575
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: 10, replica: 1
=====================================
Write number: 241
Temperature: 1.350000
Total energy: -87.356434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.356434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.356434 (E_RNA)
where:
Base-Base interactions energy: -44.341
where: short stacking energy: -15.985
Base-Backbone interact. energy: -0.267
local terms energy: -42.748546
where:
bonds (distance) C4'-P energy: -10.467
bonds (distance) P-C4' energy: -10.559
flat angles C4'-P-C4' energy: -8.062
flat angles P-C4'-P energy: -5.717
tors. eta vs tors. theta energy: -7.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 242
Temperature: 0.900000
Total energy: -290.100759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.100759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.100759 (E_RNA)
where:
Base-Base interactions energy: -200.220
where: short stacking energy: -81.948
Base-Backbone interact. energy: -0.164
local terms energy: -89.717160
where:
bonds (distance) C4'-P energy: -19.069
bonds (distance) P-C4' energy: -14.971
flat angles C4'-P-C4' energy: -18.778
flat angles P-C4'-P energy: -11.476
tors. eta vs tors. theta energy: -25.423
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: 2, replica: 8
=====================================
Write number: 242
Temperature: 0.950000
Total energy: -286.154495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.154495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.154495 (E_RNA)
where:
Base-Base interactions energy: -192.334
where: short stacking energy: -76.859
Base-Backbone interact. energy: 1.126
local terms energy: -94.945918
where:
bonds (distance) C4'-P energy: -20.546
bonds (distance) P-C4' energy: -20.333
flat angles C4'-P-C4' energy: -20.667
flat angles P-C4'-P energy: -10.837
tors. eta vs tors. theta energy: -22.563
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 242
Temperature: 1.000000
Total energy: -278.377085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.377085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.377085 (E_RNA)
where:
Base-Base interactions energy: -188.120
where: short stacking energy: -74.376
Base-Backbone interact. energy: -0.002
local terms energy: -90.254769
where:
bonds (distance) C4'-P energy: -15.700
bonds (distance) P-C4' energy: -16.216
flat angles C4'-P-C4' energy: -19.095
flat angles P-C4'-P energy: -14.907
tors. eta vs tors. theta energy: -24.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 242
Temperature: 1.050000
Total energy: -271.161032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.161032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.161032 (E_RNA)
where:
Base-Base interactions energy: -189.208
where: short stacking energy: -71.605
Base-Backbone interact. energy: -0.757
local terms energy: -81.195938
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -19.304
flat angles C4'-P-C4' energy: -16.087
flat angles P-C4'-P energy: -12.895
tors. eta vs tors. theta energy: -19.681
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 242
Temperature: 1.100000
Total energy: -251.367943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.367943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.367943 (E_RNA)
where:
Base-Base interactions energy: -173.144
where: short stacking energy: -74.441
Base-Backbone interact. energy: -0.714
local terms energy: -77.509209
where:
bonds (distance) C4'-P energy: -11.199
bonds (distance) P-C4' energy: -15.566
flat angles C4'-P-C4' energy: -19.390
flat angles P-C4'-P energy: -9.047
tors. eta vs tors. theta energy: -22.308
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: 2
=====================================
Write number: 242
Temperature: 1.150000
Total energy: -167.974738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.974738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.974738 (E_RNA)
where:
Base-Base interactions energy: -105.383
where: short stacking energy: -51.642
Base-Backbone interact. energy: 1.591
local terms energy: -64.182793
where:
bonds (distance) C4'-P energy: -16.432
bonds (distance) P-C4' energy: -16.275
flat angles C4'-P-C4' energy: -13.351
flat angles P-C4'-P energy: -3.939
tors. eta vs tors. theta energy: -14.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 242
Temperature: 1.200000
Total energy: -204.732023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.732023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.732023 (E_RNA)
where:
Base-Base interactions energy: -129.548
where: short stacking energy: -68.689
Base-Backbone interact. energy: -0.181
local terms energy: -75.002409
where:
bonds (distance) C4'-P energy: -13.242
bonds (distance) P-C4' energy: -15.359
flat angles C4'-P-C4' energy: -16.160
flat angles P-C4'-P energy: -11.820
tors. eta vs tors. theta energy: -18.422
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: 8, replica: 6
=====================================
Write number: 242
Temperature: 1.250000
Total energy: -200.823841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.823841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.823841 (E_RNA)
where:
Base-Base interactions energy: -138.599
where: short stacking energy: -61.053
Base-Backbone interact. energy: -0.794
local terms energy: -61.430771
where:
bonds (distance) C4'-P energy: -12.855
bonds (distance) P-C4' energy: -10.973
flat angles C4'-P-C4' energy: -17.306
flat angles P-C4'-P energy: -6.365
tors. eta vs tors. theta energy: -13.931
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 242
Temperature: 1.300000
Total energy: -97.319838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.319838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.319838 (E_RNA)
where:
Base-Base interactions energy: -39.962
where: short stacking energy: -27.627
Base-Backbone interact. energy: -0.473
local terms energy: -56.885330
where:
bonds (distance) C4'-P energy: -12.857
bonds (distance) P-C4' energy: -13.775
flat angles C4'-P-C4' energy: -18.701
flat angles P-C4'-P energy: -11.378
tors. eta vs tors. theta energy: -0.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 242
Temperature: 1.350000
Total energy: -101.849691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.849691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.849691 (E_RNA)
where:
Base-Base interactions energy: -49.330
where: short stacking energy: -32.717
Base-Backbone interact. energy: -0.477
local terms energy: -52.042530
where:
bonds (distance) C4'-P energy: -15.317
bonds (distance) P-C4' energy: -14.519
flat angles C4'-P-C4' energy: -9.276
flat angles P-C4'-P energy: -10.359
tors. eta vs tors. theta energy: -2.571
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: 10
=====================================
Write number: 243
Temperature: 0.900000
Total energy: -286.980408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.980408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.980408 (E_RNA)
where:
Base-Base interactions energy: -195.863
where: short stacking energy: -87.125
Base-Backbone interact. energy: -0.010
local terms energy: -91.106776
where:
bonds (distance) C4'-P energy: -17.067
bonds (distance) P-C4' energy: -16.416
flat angles C4'-P-C4' energy: -14.295
flat angles P-C4'-P energy: -15.524
tors. eta vs tors. theta energy: -27.805
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 243
Temperature: 0.950000
Total energy: -284.364929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.364929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.364929 (E_RNA)
where:
Base-Base interactions energy: -192.065
where: short stacking energy: -74.130
Base-Backbone interact. energy: -0.677
local terms energy: -91.623276
where:
bonds (distance) C4'-P energy: -16.727
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -19.143
flat angles P-C4'-P energy: -14.144
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: 3, replica: 8
=====================================
Write number: 243
Temperature: 1.000000
Total energy: -284.052877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.052877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.052877 (E_RNA)
where:
Base-Base interactions energy: -197.369
where: short stacking energy: -81.930
Base-Backbone interact. energy: -0.691
local terms energy: -85.992836
where:
bonds (distance) C4'-P energy: -15.737
bonds (distance) P-C4' energy: -20.311
flat angles C4'-P-C4' energy: -16.517
flat angles P-C4'-P energy: -9.959
tors. eta vs tors. theta energy: -23.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 243
Temperature: 1.050000
Total energy: -265.983836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.983836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.983836 (E_RNA)
where:
Base-Base interactions energy: -175.239
where: short stacking energy: -72.141
Base-Backbone interact. energy: -0.039
local terms energy: -90.706369
where:
bonds (distance) C4'-P energy: -19.108
bonds (distance) P-C4' energy: -11.512
flat angles C4'-P-C4' energy: -17.967
flat angles P-C4'-P energy: -15.001
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: 5, replica: 3
=====================================
Write number: 243
Temperature: 1.100000
Total energy: -266.052701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.052701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.052701 (E_RNA)
where:
Base-Base interactions energy: -189.485
where: short stacking energy: -70.515
Base-Backbone interact. energy: -0.040
local terms energy: -76.527524
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -15.992
flat angles C4'-P-C4' energy: -14.459
flat angles P-C4'-P energy: -10.967
tors. eta vs tors. theta energy: -18.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 243
Temperature: 1.150000
Total energy: -221.731380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -221.731380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -221.731380 (E_RNA)
where:
Base-Base interactions energy: -149.370
where: short stacking energy: -71.082
Base-Backbone interact. energy: 2.576
local terms energy: -74.937142
where:
bonds (distance) C4'-P energy: -12.012
bonds (distance) P-C4' energy: -14.557
flat angles C4'-P-C4' energy: -19.302
flat angles P-C4'-P energy: -10.886
tors. eta vs tors. theta energy: -18.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 243
Temperature: 1.200000
Total energy: -168.465333 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.465333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.465333 (E_RNA)
where:
Base-Base interactions energy: -102.461
where: short stacking energy: -52.464
Base-Backbone interact. energy: -0.072
local terms energy: -65.932326
where:
bonds (distance) C4'-P energy: -15.539
bonds (distance) P-C4' energy: -14.810
flat angles C4'-P-C4' energy: -17.144
flat angles P-C4'-P energy: -5.924
tors. eta vs tors. theta energy: -12.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 243
Temperature: 1.250000
Total energy: -166.349899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.349899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.349899 (E_RNA)
where:
Base-Base interactions energy: -97.978
where: short stacking energy: -52.813
Base-Backbone interact. energy: 0.291
local terms energy: -68.662378
where:
bonds (distance) C4'-P energy: -13.734
bonds (distance) P-C4' energy: -18.422
flat angles C4'-P-C4' energy: -13.519
flat angles P-C4'-P energy: -9.375
tors. eta vs tors. theta energy: -13.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 243
Temperature: 1.300000
Total energy: -81.953661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.953661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.953661 (E_RNA)
where:
Base-Base interactions energy: -25.580
where: short stacking energy: -23.722
Base-Backbone interact. energy: 0.480
local terms energy: -56.853308
where:
bonds (distance) C4'-P energy: -11.860
bonds (distance) P-C4' energy: -14.804
flat angles C4'-P-C4' energy: -14.855
flat angles P-C4'-P energy: -12.247
tors. eta vs tors. theta energy: -3.087
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: 9
=====================================
Write number: 243
Temperature: 1.350000
Total energy: -97.300074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.300074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.300074 (E_RNA)
where:
Base-Base interactions energy: -33.416
where: short stacking energy: -31.535
Base-Backbone interact. energy: -0.039
local terms energy: -63.845727
where:
bonds (distance) C4'-P energy: -13.763
bonds (distance) P-C4' energy: -21.103
flat angles C4'-P-C4' energy: -14.473
flat angles P-C4'-P energy: -11.436
tors. eta vs tors. theta energy: -3.070
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 244
Temperature: 0.900000
Total energy: -282.547608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.547608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.547608 (E_RNA)
where:
Base-Base interactions energy: -190.466
where: short stacking energy: -73.459
Base-Backbone interact. energy: -0.358
local terms energy: -91.722664
where:
bonds (distance) C4'-P energy: -19.019
bonds (distance) P-C4' energy: -18.434
flat angles C4'-P-C4' energy: -19.487
flat angles P-C4'-P energy: -14.235
tors. eta vs tors. theta energy: -20.548
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: 244
Temperature: 0.950000
Total energy: -282.510522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.510522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.510522 (E_RNA)
where:
Base-Base interactions energy: -188.531
where: short stacking energy: -68.290
Base-Backbone interact. energy: -0.784
local terms energy: -93.195686
where:
bonds (distance) C4'-P energy: -15.786
bonds (distance) P-C4' energy: -20.436
flat angles C4'-P-C4' energy: -20.430
flat angles P-C4'-P energy: -15.773
tors. eta vs tors. theta energy: -20.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 244
Temperature: 1.000000
Total energy: -281.023314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.023314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.023314 (E_RNA)
where:
Base-Base interactions energy: -190.049
where: short stacking energy: -80.543
Base-Backbone interact. energy: -0.528
local terms energy: -90.445565
where:
bonds (distance) C4'-P energy: -18.771
bonds (distance) P-C4' energy: -14.791
flat angles C4'-P-C4' energy: -18.525
flat angles P-C4'-P energy: -13.249
tors. eta vs tors. theta energy: -25.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 244
Temperature: 1.050000
Total energy: -268.802659 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.802659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.802659 (E_RNA)
where:
Base-Base interactions energy: -177.100
where: short stacking energy: -80.870
Base-Backbone interact. energy: -0.731
local terms energy: -90.971081
where:
bonds (distance) C4'-P energy: -18.643
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -18.976
flat angles P-C4'-P energy: -12.048
tors. eta vs tors. theta energy: -23.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 244
Temperature: 1.100000
Total energy: -272.971181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.971181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.971181 (E_RNA)
where:
Base-Base interactions energy: -185.190
where: short stacking energy: -70.646
Base-Backbone interact. energy: -0.139
local terms energy: -87.642295
where:
bonds (distance) C4'-P energy: -17.437
bonds (distance) P-C4' energy: -16.900
flat angles C4'-P-C4' energy: -18.286
flat angles P-C4'-P energy: -15.855
tors. eta vs tors. theta energy: -19.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 244
Temperature: 1.150000
Total energy: -213.552102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.552102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.552102 (E_RNA)
where:
Base-Base interactions energy: -143.372
where: short stacking energy: -54.669
Base-Backbone interact. energy: -0.222
local terms energy: -69.958816
where:
bonds (distance) C4'-P energy: -16.347
bonds (distance) P-C4' energy: -20.366
flat angles C4'-P-C4' energy: -11.551
flat angles P-C4'-P energy: -7.575
tors. eta vs tors. theta energy: -14.120
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 244
Temperature: 1.200000
Total energy: -173.566916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.566916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.566916 (E_RNA)
where:
Base-Base interactions energy: -102.722
where: short stacking energy: -44.847
Base-Backbone interact. energy: -0.655
local terms energy: -70.189583
where:
bonds (distance) C4'-P energy: -15.401
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -19.536
flat angles P-C4'-P energy: -11.644
tors. eta vs tors. theta energy: -7.227
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 244
Temperature: 1.250000
Total energy: -152.527585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.527585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.527585 (E_RNA)
where:
Base-Base interactions energy: -92.424
where: short stacking energy: -46.222
Base-Backbone interact. energy: -0.071
local terms energy: -60.032541
where:
bonds (distance) C4'-P energy: -9.045
bonds (distance) P-C4' energy: -17.449
flat angles C4'-P-C4' energy: -13.082
flat angles P-C4'-P energy: -9.283
tors. eta vs tors. theta energy: -11.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 244
Temperature: 1.300000
Total energy: -110.871387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.871387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.871387 (E_RNA)
where:
Base-Base interactions energy: -42.926
where: short stacking energy: -42.926
Base-Backbone interact. energy: -0.134
local terms energy: -67.811289
where:
bonds (distance) C4'-P energy: -14.630
bonds (distance) P-C4' energy: -17.968
flat angles C4'-P-C4' energy: -20.044
flat angles P-C4'-P energy: -7.783
tors. eta vs tors. theta energy: -7.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 244
Temperature: 1.350000
Total energy: -96.222260 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.222260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.222260 (E_RNA)
where:
Base-Base interactions energy: -43.799
where: short stacking energy: -30.290
Base-Backbone interact. energy: -0.631
local terms energy: -51.792408
where:
bonds (distance) C4'-P energy: -13.737
bonds (distance) P-C4' energy: -17.061
flat angles C4'-P-C4' energy: -14.762
flat angles P-C4'-P energy: -4.000
tors. eta vs tors. theta energy: -2.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 245
Temperature: 0.900000
Total energy: -288.137855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.137855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.137855 (E_RNA)
where:
Base-Base interactions energy: -196.562
where: short stacking energy: -73.796
Base-Backbone interact. energy: -0.366
local terms energy: -91.209354
where:
bonds (distance) C4'-P energy: -15.758
bonds (distance) P-C4' energy: -17.911
flat angles C4'-P-C4' energy: -18.364
flat angles P-C4'-P energy: -15.530
tors. eta vs tors. theta energy: -23.647
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: 8
=====================================
Write number: 245
Temperature: 0.950000
Total energy: -287.903829 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.903829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.903829 (E_RNA)
where:
Base-Base interactions energy: -198.480
where: short stacking energy: -84.346
Base-Backbone interact. energy: -2.606
local terms energy: -86.818159
where:
bonds (distance) C4'-P energy: -17.551
bonds (distance) P-C4' energy: -19.768
flat angles C4'-P-C4' energy: -11.466
flat angles P-C4'-P energy: -11.186
tors. eta vs tors. theta energy: -26.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 245
Temperature: 1.000000
Total energy: -273.232128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.232128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.232128 (E_RNA)
where:
Base-Base interactions energy: -191.138
where: short stacking energy: -70.271
Base-Backbone interact. energy: -0.107
local terms energy: -81.987093
where:
bonds (distance) C4'-P energy: -12.863
bonds (distance) P-C4' energy: -21.048
flat angles C4'-P-C4' energy: -19.285
flat angles P-C4'-P energy: -9.777
tors. eta vs tors. theta energy: -19.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 245
Temperature: 1.050000
Total energy: -266.653697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.653697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.653697 (E_RNA)
where:
Base-Base interactions energy: -179.079
where: short stacking energy: -70.703
Base-Backbone interact. energy: -0.799
local terms energy: -86.776488
where:
bonds (distance) C4'-P energy: -13.373
bonds (distance) P-C4' energy: -18.103
flat angles C4'-P-C4' energy: -19.501
flat angles P-C4'-P energy: -15.714
tors. eta vs tors. theta energy: -20.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 245
Temperature: 1.100000
Total energy: -271.710563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.710563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.710563 (E_RNA)
where:
Base-Base interactions energy: -194.058
where: short stacking energy: -81.559
Base-Backbone interact. energy: 1.178
local terms energy: -78.830753
where:
bonds (distance) C4'-P energy: -15.190
bonds (distance) P-C4' energy: -16.382
flat angles C4'-P-C4' energy: -12.751
flat angles P-C4'-P energy: -11.230
tors. eta vs tors. theta energy: -23.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 245
Temperature: 1.150000
Total energy: -212.400039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.400039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.400039 (E_RNA)
where:
Base-Base interactions energy: -148.401
where: short stacking energy: -63.397
Base-Backbone interact. energy: -0.119
local terms energy: -63.880200
where:
bonds (distance) C4'-P energy: -15.122
bonds (distance) P-C4' energy: -14.621
flat angles C4'-P-C4' energy: -10.748
flat angles P-C4'-P energy: -8.303
tors. eta vs tors. theta energy: -15.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 245
Temperature: 1.200000
Total energy: -174.127675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.127675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.127675 (E_RNA)
where:
Base-Base interactions energy: -112.751
where: short stacking energy: -50.542
Base-Backbone interact. energy: -0.082
local terms energy: -61.294580
where:
bonds (distance) C4'-P energy: -13.534
bonds (distance) P-C4' energy: -14.369
flat angles C4'-P-C4' energy: -13.483
flat angles P-C4'-P energy: -8.383
tors. eta vs tors. theta energy: -11.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 245
Temperature: 1.250000
Total energy: -158.636208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.636208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.636208 (E_RNA)
where:
Base-Base interactions energy: -86.090
where: short stacking energy: -41.424
Base-Backbone interact. energy: -0.022
local terms energy: -72.524527
where:
bonds (distance) C4'-P energy: -15.790
bonds (distance) P-C4' energy: -20.483
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -6.376
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: 9, replica: 9
=====================================
Write number: 245
Temperature: 1.300000
Total energy: -92.707689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.707689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.707689 (E_RNA)
where:
Base-Base interactions energy: -35.055
where: short stacking energy: -34.888
Base-Backbone interact. energy: 0.077
local terms energy: -57.730137
where:
bonds (distance) C4'-P energy: -13.503
bonds (distance) P-C4' energy: -16.813
flat angles C4'-P-C4' energy: -17.125
flat angles P-C4'-P energy: -6.615
tors. eta vs tors. theta energy: -3.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 245
Temperature: 1.350000
Total energy: -91.383038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.383038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.383038 (E_RNA)
where:
Base-Base interactions energy: -25.257
where: short stacking energy: -24.923
Base-Backbone interact. energy: -1.011
local terms energy: -65.115215
where:
bonds (distance) C4'-P energy: -17.974
bonds (distance) P-C4' energy: -19.149
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -10.007
tors. eta vs tors. theta energy: -2.385
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 246
Temperature: 0.900000
Total energy: -287.961484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.961484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.961484 (E_RNA)
where:
Base-Base interactions energy: -201.998
where: short stacking energy: -85.762
Base-Backbone interact. energy: -0.130
local terms energy: -85.833499
where:
bonds (distance) C4'-P energy: -16.751
bonds (distance) P-C4' energy: -14.853
flat angles C4'-P-C4' energy: -15.786
flat angles P-C4'-P energy: -13.111
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: 246
Temperature: 0.950000
Total energy: -285.969429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.969429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.969429 (E_RNA)
where:
Base-Base interactions energy: -193.203
where: short stacking energy: -81.895
Base-Backbone interact. energy: -1.255
local terms energy: -91.511954
where:
bonds (distance) C4'-P energy: -14.882
bonds (distance) P-C4' energy: -16.665
flat angles C4'-P-C4' energy: -19.701
flat angles P-C4'-P energy: -17.123
tors. eta vs tors. theta energy: -23.140
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: 3, replica: 4
=====================================
Write number: 246
Temperature: 1.000000
Total energy: -278.232722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.232722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.232722 (E_RNA)
where:
Base-Base interactions energy: -196.904
where: short stacking energy: -74.426
Base-Backbone interact. energy: -0.062
local terms energy: -81.267308
where:
bonds (distance) C4'-P energy: -11.505
bonds (distance) P-C4' energy: -14.089
flat angles C4'-P-C4' energy: -19.653
flat angles P-C4'-P energy: -16.881
tors. eta vs tors. theta energy: -19.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 246
Temperature: 1.050000
Total energy: -281.797769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.797769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.797769 (E_RNA)
where:
Base-Base interactions energy: -190.028
where: short stacking energy: -79.717
Base-Backbone interact. energy: 0.578
local terms energy: -92.347748
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -20.330
flat angles C4'-P-C4' energy: -18.266
flat angles P-C4'-P energy: -11.396
tors. eta vs tors. theta energy: -25.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 246
Temperature: 1.100000
Total energy: -271.421608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.421608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.421608 (E_RNA)
where:
Base-Base interactions energy: -177.290
where: short stacking energy: -66.054
Base-Backbone interact. energy: -1.016
local terms energy: -93.116237
where:
bonds (distance) C4'-P energy: -20.092
bonds (distance) P-C4' energy: -16.710
flat angles C4'-P-C4' energy: -20.746
flat angles P-C4'-P energy: -12.835
tors. eta vs tors. theta energy: -22.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 246
Temperature: 1.150000
Total energy: -215.381151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -215.381151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -215.381151 (E_RNA)
where:
Base-Base interactions energy: -144.711
where: short stacking energy: -65.430
Base-Backbone interact. energy: 0.075
local terms energy: -70.745821
where:
bonds (distance) C4'-P energy: -11.965
bonds (distance) P-C4' energy: -16.068
flat angles C4'-P-C4' energy: -18.053
flat angles P-C4'-P energy: -6.930
tors. eta vs tors. theta energy: -17.730
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: 7, replica: 2
=====================================
Write number: 246
Temperature: 1.200000
Total energy: -160.863116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.863116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.863116 (E_RNA)
where:
Base-Base interactions energy: -87.681
where: short stacking energy: -31.525
Base-Backbone interact. energy: -0.236
local terms energy: -72.946552
where:
bonds (distance) C4'-P energy: -19.464
bonds (distance) P-C4' energy: -21.980
flat angles C4'-P-C4' energy: -14.431
flat angles P-C4'-P energy: -11.446
tors. eta vs tors. theta energy: -5.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 246
Temperature: 1.250000
Total energy: -187.956432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.956432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.956432 (E_RNA)
where:
Base-Base interactions energy: -118.014
where: short stacking energy: -50.113
Base-Backbone interact. energy: 0.676
local terms energy: -70.618018
where:
bonds (distance) C4'-P energy: -16.470
bonds (distance) P-C4' energy: -12.845
flat angles C4'-P-C4' energy: -15.710
flat angles P-C4'-P energy: -9.519
tors. eta vs tors. theta energy: -16.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 246
Temperature: 1.300000
Total energy: -85.231407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.231407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.231407 (E_RNA)
where:
Base-Base interactions energy: -33.121
where: short stacking energy: -27.196
Base-Backbone interact. energy: -0.453
local terms energy: -51.656963
where:
bonds (distance) C4'-P energy: -17.241
bonds (distance) P-C4' energy: -11.028
flat angles C4'-P-C4' energy: -14.923
flat angles P-C4'-P energy: -7.822
tors. eta vs tors. theta energy: -0.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 246
Temperature: 1.350000
Total energy: -88.765361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.765361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.765361 (E_RNA)
where:
Base-Base interactions energy: -42.511
where: short stacking energy: -29.933
Base-Backbone interact. energy: -0.281
local terms energy: -45.973152
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -12.412
flat angles P-C4'-P energy: -4.338
tors. eta vs tors. theta energy: 1.369
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: 8
=====================================
Write number: 247
Temperature: 0.900000
Total energy: -290.085489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.085489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.085489 (E_RNA)
where:
Base-Base interactions energy: -200.018
where: short stacking energy: -76.809
Base-Backbone interact. energy: -0.104
local terms energy: -89.963095
where:
bonds (distance) C4'-P energy: -18.581
bonds (distance) P-C4' energy: -18.422
flat angles C4'-P-C4' energy: -19.200
flat angles P-C4'-P energy: -13.295
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: 2, replica: 4
=====================================
Write number: 247
Temperature: 0.950000
Total energy: -280.552250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.552250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.552250 (E_RNA)
where:
Base-Base interactions energy: -192.921
where: short stacking energy: -78.467
Base-Backbone interact. energy: -0.374
local terms energy: -87.257354
where:
bonds (distance) C4'-P energy: -19.988
bonds (distance) P-C4' energy: -15.496
flat angles C4'-P-C4' energy: -17.753
flat angles P-C4'-P energy: -13.255
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: 3, replica: 10
=====================================
Write number: 247
Temperature: 1.000000
Total energy: -270.281540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.281540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.281540 (E_RNA)
where:
Base-Base interactions energy: -186.540
where: short stacking energy: -69.093
Base-Backbone interact. energy: -0.048
local terms energy: -83.693102
where:
bonds (distance) C4'-P energy: -15.575
bonds (distance) P-C4' energy: -18.006
flat angles C4'-P-C4' energy: -17.635
flat angles P-C4'-P energy: -10.609
tors. eta vs tors. theta energy: -21.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 247
Temperature: 1.050000
Total energy: -276.619275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.619275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.619275 (E_RNA)
where:
Base-Base interactions energy: -188.353
where: short stacking energy: -82.382
Base-Backbone interact. energy: -0.007
local terms energy: -88.258339
where:
bonds (distance) C4'-P energy: -16.776
bonds (distance) P-C4' energy: -15.310
flat angles C4'-P-C4' energy: -18.073
flat angles P-C4'-P energy: -14.018
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: 5, replica: 5
=====================================
Write number: 247
Temperature: 1.100000
Total energy: -270.211731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.211731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.211731 (E_RNA)
where:
Base-Base interactions energy: -183.489
where: short stacking energy: -79.071
Base-Backbone interact. energy: -0.009
local terms energy: -86.714031
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -18.173
flat angles C4'-P-C4' energy: -18.701
flat angles P-C4'-P energy: -12.995
tors. eta vs tors. theta energy: -22.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 247
Temperature: 1.150000
Total energy: -217.422200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.422200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.422200 (E_RNA)
where:
Base-Base interactions energy: -141.971
where: short stacking energy: -62.269
Base-Backbone interact. energy: 1.728
local terms energy: -77.179965
where:
bonds (distance) C4'-P energy: -16.060
bonds (distance) P-C4' energy: -15.137
flat angles C4'-P-C4' energy: -16.785
flat angles P-C4'-P energy: -8.726
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: 7, replica: 2
=====================================
Write number: 247
Temperature: 1.200000
Total energy: -165.274096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.274096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.274096 (E_RNA)
where:
Base-Base interactions energy: -105.340
where: short stacking energy: -56.774
Base-Backbone interact. energy: 0.795
local terms energy: -60.729106
where:
bonds (distance) C4'-P energy: -8.845
bonds (distance) P-C4' energy: -8.108
flat angles C4'-P-C4' energy: -17.817
flat angles P-C4'-P energy: -13.453
tors. eta vs tors. theta energy: -12.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 6
=====================================
Write number: 247
Temperature: 1.250000
Total energy: -222.077637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.077637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.077637 (E_RNA)
where:
Base-Base interactions energy: -147.287
where: short stacking energy: -63.697
Base-Backbone interact. energy: -1.544
local terms energy: -73.246112
where:
bonds (distance) C4'-P energy: -15.323
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -15.850
flat angles P-C4'-P energy: -9.846
tors. eta vs tors. theta energy: -16.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 247
Temperature: 1.300000
Total energy: -89.380456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.380456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.380456 (E_RNA)
where:
Base-Base interactions energy: -32.134
where: short stacking energy: -31.798
Base-Backbone interact. energy: -1.323
local terms energy: -55.923139
where:
bonds (distance) C4'-P energy: -10.715
bonds (distance) P-C4' energy: -13.026
flat angles C4'-P-C4' energy: -12.935
flat angles P-C4'-P energy: -16.543
tors. eta vs tors. theta energy: -2.705
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 247
Temperature: 1.350000
Total energy: -97.327809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.327809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.327809 (E_RNA)
where:
Base-Base interactions energy: -48.566
where: short stacking energy: -31.952
Base-Backbone interact. energy: 0.012
local terms energy: -48.773989
where:
bonds (distance) C4'-P energy: -7.544
bonds (distance) P-C4' energy: -18.798
flat angles C4'-P-C4' energy: -13.098
flat angles P-C4'-P energy: -6.456
tors. eta vs tors. theta energy: -2.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 248
Temperature: 0.900000
Total energy: -292.691358 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.691358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.691358 (E_RNA)
where:
Base-Base interactions energy: -205.757
where: short stacking energy: -76.155
Base-Backbone interact. energy: -0.407
local terms energy: -86.527283
where:
bonds (distance) C4'-P energy: -18.365
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -20.504
flat angles P-C4'-P energy: -8.802
tors. eta vs tors. theta energy: -21.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 248
Temperature: 0.950000
Total energy: -277.591747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.591747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.591747 (E_RNA)
where:
Base-Base interactions energy: -192.278
where: short stacking energy: -80.806
Base-Backbone interact. energy: -0.335
local terms energy: -84.978272
where:
bonds (distance) C4'-P energy: -16.582
bonds (distance) P-C4' energy: -15.993
flat angles C4'-P-C4' energy: -13.891
flat angles P-C4'-P energy: -11.777
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: 3, replica: 10
=====================================
Write number: 248
Temperature: 1.000000
Total energy: -285.577952 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.577952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.577952 (E_RNA)
where:
Base-Base interactions energy: -195.473
where: short stacking energy: -78.920
Base-Backbone interact. energy: -0.546
local terms energy: -89.559214
where:
bonds (distance) C4'-P energy: -19.149
bonds (distance) P-C4' energy: -17.878
flat angles C4'-P-C4' energy: -17.816
flat angles P-C4'-P energy: -8.894
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: 4, replica: 3
=====================================
Write number: 248
Temperature: 1.050000
Total energy: -279.593919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.593919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.593919 (E_RNA)
where:
Base-Base interactions energy: -205.900
where: short stacking energy: -82.640
Base-Backbone interact. energy: -0.242
local terms energy: -73.452137
where:
bonds (distance) C4'-P energy: -17.198
bonds (distance) P-C4' energy: -14.135
flat angles C4'-P-C4' energy: -13.859
flat angles P-C4'-P energy: -6.325
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: 5, replica: 5
=====================================
Write number: 248
Temperature: 1.100000
Total energy: -270.711344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.711344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.711344 (E_RNA)
where:
Base-Base interactions energy: -185.688
where: short stacking energy: -74.556
Base-Backbone interact. energy: -0.912
local terms energy: -84.111166
where:
bonds (distance) C4'-P energy: -12.685
bonds (distance) P-C4' energy: -14.455
flat angles C4'-P-C4' energy: -21.341
flat angles P-C4'-P energy: -15.006
tors. eta vs tors. theta energy: -20.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 248
Temperature: 1.150000
Total energy: -189.501729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.501729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.501729 (E_RNA)
where:
Base-Base interactions energy: -118.092
where: short stacking energy: -54.572
Base-Backbone interact. energy: -0.161
local terms energy: -71.248839
where:
bonds (distance) C4'-P energy: -13.257
bonds (distance) P-C4' energy: -16.511
flat angles C4'-P-C4' energy: -18.090
flat angles P-C4'-P energy: -10.098
tors. eta vs tors. theta energy: -13.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 248
Temperature: 1.200000
Total energy: -196.082166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.082166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.082166 (E_RNA)
where:
Base-Base interactions energy: -131.078
where: short stacking energy: -60.439
Base-Backbone interact. energy: -0.265
local terms energy: -64.738808
where:
bonds (distance) C4'-P energy: -10.875
bonds (distance) P-C4' energy: -13.620
flat angles C4'-P-C4' energy: -16.515
flat angles P-C4'-P energy: -9.141
tors. eta vs tors. theta energy: -14.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 248
Temperature: 1.250000
Total energy: -168.235309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.235309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.235309 (E_RNA)
where:
Base-Base interactions energy: -103.428
where: short stacking energy: -37.596
Base-Backbone interact. energy: -0.212
local terms energy: -64.595405
where:
bonds (distance) C4'-P energy: -11.386
bonds (distance) P-C4' energy: -21.188
flat angles C4'-P-C4' energy: -13.802
flat angles P-C4'-P energy: -12.227
tors. eta vs tors. theta energy: -5.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 248
Temperature: 1.300000
Total energy: -120.369827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.369827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.369827 (E_RNA)
where:
Base-Base interactions energy: -56.847
where: short stacking energy: -20.794
Base-Backbone interact. energy: -0.188
local terms energy: -63.335030
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -16.728
flat angles C4'-P-C4' energy: -17.803
flat angles P-C4'-P energy: -10.241
tors. eta vs tors. theta energy: -4.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 248
Temperature: 1.350000
Total energy: -92.830515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.830515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.830515 (E_RNA)
where:
Base-Base interactions energy: -25.759
where: short stacking energy: -25.565
Base-Backbone interact. energy: 0.135
local terms energy: -67.206635
where:
bonds (distance) C4'-P energy: -17.368
bonds (distance) P-C4' energy: -15.746
flat angles C4'-P-C4' energy: -19.317
flat angles P-C4'-P energy: -12.417
tors. eta vs tors. theta energy: -2.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 249
Temperature: 0.900000
Total energy: -283.693774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.693774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.693774 (E_RNA)
where:
Base-Base interactions energy: -196.942
where: short stacking energy: -73.578
Base-Backbone interact. energy: -0.576
local terms energy: -86.175616
where:
bonds (distance) C4'-P energy: -15.313
bonds (distance) P-C4' energy: -19.757
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -14.404
tors. eta vs tors. theta energy: -22.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 249
Temperature: 0.950000
Total energy: -292.312113 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.312113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.312113 (E_RNA)
where:
Base-Base interactions energy: -195.137
where: short stacking energy: -77.205
Base-Backbone interact. energy: -0.047
local terms energy: -97.127906
where:
bonds (distance) C4'-P energy: -15.803
bonds (distance) P-C4' energy: -18.344
flat angles C4'-P-C4' energy: -21.632
flat angles P-C4'-P energy: -13.984
tors. eta vs tors. theta energy: -27.365
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 249
Temperature: 1.000000
Total energy: -279.172482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.172482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.172482 (E_RNA)
where:
Base-Base interactions energy: -191.544
where: short stacking energy: -85.338
Base-Backbone interact. energy: -0.032
local terms energy: -87.596421
where:
bonds (distance) C4'-P energy: -17.266
bonds (distance) P-C4' energy: -14.658
flat angles C4'-P-C4' energy: -18.648
flat angles P-C4'-P energy: -10.005
tors. eta vs tors. theta energy: -27.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 249
Temperature: 1.050000
Total energy: -269.350585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.350585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.350585 (E_RNA)
where:
Base-Base interactions energy: -188.518
where: short stacking energy: -77.329
Base-Backbone interact. energy: -0.671
local terms energy: -80.161036
where:
bonds (distance) C4'-P energy: -13.162
bonds (distance) P-C4' energy: -9.916
flat angles C4'-P-C4' energy: -20.180
flat angles P-C4'-P energy: -14.383
tors. eta vs tors. theta energy: -22.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 249
Temperature: 1.100000
Total energy: -266.500483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.500483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.500483 (E_RNA)
where:
Base-Base interactions energy: -185.493
where: short stacking energy: -76.381
Base-Backbone interact. energy: -0.195
local terms energy: -80.813316
where:
bonds (distance) C4'-P energy: -16.003
bonds (distance) P-C4' energy: -15.043
flat angles C4'-P-C4' energy: -17.353
flat angles P-C4'-P energy: -7.653
tors. eta vs tors. theta energy: -24.762
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: 6
=====================================
Write number: 249
Temperature: 1.150000
Total energy: -235.285890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -235.285890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -235.285890 (E_RNA)
where:
Base-Base interactions energy: -155.368
where: short stacking energy: -60.742
Base-Backbone interact. energy: -0.656
local terms energy: -79.261528
where:
bonds (distance) C4'-P energy: -15.930
bonds (distance) P-C4' energy: -15.619
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -14.205
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: 7, replica: 7
=====================================
Write number: 249
Temperature: 1.200000
Total energy: -199.432103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.432103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.432103 (E_RNA)
where:
Base-Base interactions energy: -131.445
where: short stacking energy: -59.373
Base-Backbone interact. energy: -0.100
local terms energy: -67.887407
where:
bonds (distance) C4'-P energy: -15.626
bonds (distance) P-C4' energy: -18.354
flat angles C4'-P-C4' energy: -13.593
flat angles P-C4'-P energy: -5.437
tors. eta vs tors. theta energy: -14.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 249
Temperature: 1.250000
Total energy: -106.627473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.627473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.627473 (E_RNA)
where:
Base-Base interactions energy: -51.695
where: short stacking energy: -41.350
Base-Backbone interact. energy: 0.392
local terms energy: -55.324545
where:
bonds (distance) C4'-P energy: -12.103
bonds (distance) P-C4' energy: -19.563
flat angles C4'-P-C4' energy: -14.941
flat angles P-C4'-P energy: -5.029
tors. eta vs tors. theta energy: -3.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 249
Temperature: 1.300000
Total energy: -143.544631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.544631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.544631 (E_RNA)
where:
Base-Base interactions energy: -82.750
where: short stacking energy: -34.225
Base-Backbone interact. energy: 0.241
local terms energy: -61.035333
where:
bonds (distance) C4'-P energy: -13.720
bonds (distance) P-C4' energy: -17.650
flat angles C4'-P-C4' energy: -17.672
flat angles P-C4'-P energy: -7.780
tors. eta vs tors. theta energy: -4.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 249
Temperature: 1.350000
Total energy: -79.710842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.710842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.710842 (E_RNA)
where:
Base-Base interactions energy: -24.299
where: short stacking energy: -24.299
Base-Backbone interact. energy: -0.112
local terms energy: -55.299796
where:
bonds (distance) C4'-P energy: -15.387
bonds (distance) P-C4' energy: -15.170
flat angles C4'-P-C4' energy: -16.414
flat angles P-C4'-P energy: -5.874
tors. eta vs tors. theta energy: -2.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 250
Temperature: 0.900000
Total energy: -287.256364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.256364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.256364 (E_RNA)
where:
Base-Base interactions energy: -195.010
where: short stacking energy: -83.472
Base-Backbone interact. energy: 0.341
local terms energy: -92.587503
where:
bonds (distance) C4'-P energy: -18.494
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -19.542
flat angles P-C4'-P energy: -14.614
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: 2, replica: 4
=====================================
Write number: 250
Temperature: 0.950000
Total energy: -290.126034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.126034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.126034 (E_RNA)
where:
Base-Base interactions energy: -197.736
where: short stacking energy: -82.008
Base-Backbone interact. energy: -0.104
local terms energy: -92.286746
where:
bonds (distance) C4'-P energy: -15.612
bonds (distance) P-C4' energy: -19.116
flat angles C4'-P-C4' energy: -19.602
flat angles P-C4'-P energy: -10.012
tors. eta vs tors. theta energy: -27.946
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 250
Temperature: 1.000000
Total energy: -286.361373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.361373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.361373 (E_RNA)
where:
Base-Base interactions energy: -192.915
where: short stacking energy: -82.778
Base-Backbone interact. energy: -1.217
local terms energy: -92.229086
where:
bonds (distance) C4'-P energy: -17.738
bonds (distance) P-C4' energy: -17.205
flat angles C4'-P-C4' energy: -20.007
flat angles P-C4'-P energy: -12.522
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: 4, replica: 5
=====================================
Write number: 250
Temperature: 1.050000
Total energy: -270.589621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.589621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.589621 (E_RNA)
where:
Base-Base interactions energy: -186.262
where: short stacking energy: -74.552
Base-Backbone interact. energy: -0.847
local terms energy: -83.480218
where:
bonds (distance) C4'-P energy: -12.276
bonds (distance) P-C4' energy: -18.714
flat angles C4'-P-C4' energy: -19.534
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: -24.229
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 250
Temperature: 1.100000
Total energy: -266.257506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.257506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.257506 (E_RNA)
where:
Base-Base interactions energy: -190.536
where: short stacking energy: -68.860
Base-Backbone interact. energy: -0.214
local terms energy: -75.507750
where:
bonds (distance) C4'-P energy: -8.575
bonds (distance) P-C4' energy: -15.345
flat angles C4'-P-C4' energy: -19.840
flat angles P-C4'-P energy: -10.370
tors. eta vs tors. theta energy: -21.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 250
Temperature: 1.150000
Total energy: -260.542540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.542540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.542540 (E_RNA)
where:
Base-Base interactions energy: -172.824
where: short stacking energy: -73.353
Base-Backbone interact. energy: 1.710
local terms energy: -89.428658
where:
bonds (distance) C4'-P energy: -18.485
bonds (distance) P-C4' energy: -19.209
flat angles C4'-P-C4' energy: -16.353
flat angles P-C4'-P energy: -11.444
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: 7
=====================================
Write number: 250
Temperature: 1.200000
Total energy: -193.039413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.039413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.039413 (E_RNA)
where:
Base-Base interactions energy: -121.991
where: short stacking energy: -56.007
Base-Backbone interact. energy: 0.341
local terms energy: -71.388653
where:
bonds (distance) C4'-P energy: -14.101
bonds (distance) P-C4' energy: -18.426
flat angles C4'-P-C4' energy: -16.265
flat angles P-C4'-P energy: -11.040
tors. eta vs tors. theta energy: -11.557
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 250
Temperature: 1.250000
Total energy: -89.148903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.148903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.148903 (E_RNA)
where:
Base-Base interactions energy: -35.272
where: short stacking energy: -29.097
Base-Backbone interact. energy: -0.080
local terms energy: -53.797289
where:
bonds (distance) C4'-P energy: -16.159
bonds (distance) P-C4' energy: -17.322
flat angles C4'-P-C4' energy: -12.504
flat angles P-C4'-P energy: -5.312
tors. eta vs tors. theta energy: -2.499
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 250
Temperature: 1.300000
Total energy: -144.456373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.456373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.456373 (E_RNA)
where:
Base-Base interactions energy: -88.088
where: short stacking energy: -38.438
Base-Backbone interact. energy: -0.442
local terms energy: -55.925815
where:
bonds (distance) C4'-P energy: -14.105
bonds (distance) P-C4' energy: -16.461
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -7.944
tors. eta vs tors. theta energy: -2.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 250
Temperature: 1.350000
Total energy: -83.418426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.418426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.418426 (E_RNA)
where:
Base-Base interactions energy: -50.039
where: short stacking energy: -31.788
Base-Backbone interact. energy: -0.112
local terms energy: -33.267203
where:
bonds (distance) C4'-P energy: -7.879
bonds (distance) P-C4' energy: -12.973
flat angles C4'-P-C4' energy: -6.064
flat angles P-C4'-P energy: -8.186
tors. eta vs tors. theta energy: 1.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 251
Temperature: 0.900000
Total energy: -291.900163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.900163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.900163 (E_RNA)
where:
Base-Base interactions energy: -202.481
where: short stacking energy: -76.128
Base-Backbone interact. energy: -0.014
local terms energy: -89.405563
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -14.570
flat angles C4'-P-C4' energy: -22.078
flat angles P-C4'-P energy: -16.666
tors. eta vs tors. theta energy: -22.287
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: 8
=====================================
Write number: 251
Temperature: 0.950000
Total energy: -287.816809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.816809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.816809 (E_RNA)
where:
Base-Base interactions energy: -197.913
where: short stacking energy: -83.372
Base-Backbone interact. energy: -1.430
local terms energy: -88.472914
where:
bonds (distance) C4'-P energy: -15.957
bonds (distance) P-C4' energy: -12.937
flat angles C4'-P-C4' energy: -20.539
flat angles P-C4'-P energy: -14.928
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: 3, replica: 4
=====================================
Write number: 251
Temperature: 1.000000
Total energy: -283.241003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.241003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.241003 (E_RNA)
where:
Base-Base interactions energy: -190.976
where: short stacking energy: -78.416
Base-Backbone interact. energy: -0.092
local terms energy: -92.173649
where:
bonds (distance) C4'-P energy: -11.353
bonds (distance) P-C4' energy: -18.730
flat angles C4'-P-C4' energy: -19.804
flat angles P-C4'-P energy: -13.532
tors. eta vs tors. theta energy: -28.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 251
Temperature: 1.050000
Total energy: -260.042926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.042926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.042926 (E_RNA)
where:
Base-Base interactions energy: -172.239
where: short stacking energy: -69.404
Base-Backbone interact. energy: -0.240
local terms energy: -87.563896
where:
bonds (distance) C4'-P energy: -16.516
bonds (distance) P-C4' energy: -18.793
flat angles C4'-P-C4' energy: -16.925
flat angles P-C4'-P energy: -14.871
tors. eta vs tors. theta energy: -20.459
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: 5, replica: 5
=====================================
Write number: 251
Temperature: 1.100000
Total energy: -267.622458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.622458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.622458 (E_RNA)
where:
Base-Base interactions energy: -182.602
where: short stacking energy: -79.011
Base-Backbone interact. energy: 0.625
local terms energy: -85.645362
where:
bonds (distance) C4'-P energy: -14.132
bonds (distance) P-C4' energy: -18.349
flat angles C4'-P-C4' energy: -16.033
flat angles P-C4'-P energy: -10.531
tors. eta vs tors. theta energy: -26.600
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: 6, replica: 3
=====================================
Write number: 251
Temperature: 1.150000
Total energy: -255.516429 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.516429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.516429 (E_RNA)
where:
Base-Base interactions energy: -168.908
where: short stacking energy: -72.529
Base-Backbone interact. energy: -0.008
local terms energy: -86.600662
where:
bonds (distance) C4'-P energy: -17.241
bonds (distance) P-C4' energy: -18.787
flat angles C4'-P-C4' energy: -17.577
flat angles P-C4'-P energy: -9.488
tors. eta vs tors. theta energy: -23.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 251
Temperature: 1.200000
Total energy: -207.397541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.397541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.397541 (E_RNA)
where:
Base-Base interactions energy: -135.048
where: short stacking energy: -63.696
Base-Backbone interact. energy: -0.054
local terms energy: -72.295354
where:
bonds (distance) C4'-P energy: -15.231
bonds (distance) P-C4' energy: -21.722
flat angles C4'-P-C4' energy: -12.177
flat angles P-C4'-P energy: -11.105
tors. eta vs tors. theta energy: -12.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 251
Temperature: 1.250000
Total energy: -155.743214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.743214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.743214 (E_RNA)
where:
Base-Base interactions energy: -96.266
where: short stacking energy: -51.576
Base-Backbone interact. energy: -0.148
local terms energy: -59.329693
where:
bonds (distance) C4'-P energy: -11.906
bonds (distance) P-C4' energy: -10.351
flat angles C4'-P-C4' energy: -16.344
flat angles P-C4'-P energy: -12.384
tors. eta vs tors. theta energy: -8.345
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 251
Temperature: 1.300000
Total energy: -87.271517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.271517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.271517 (E_RNA)
where:
Base-Base interactions energy: -31.463
where: short stacking energy: -31.463
Base-Backbone interact. energy: -0.160
local terms energy: -55.649150
where:
bonds (distance) C4'-P energy: -9.086
bonds (distance) P-C4' energy: -19.574
flat angles C4'-P-C4' energy: -14.793
flat angles P-C4'-P energy: -11.429
tors. eta vs tors. theta energy: -0.766
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 251
Temperature: 1.350000
Total energy: -89.813112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.813112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.813112 (E_RNA)
where:
Base-Base interactions energy: -46.354
where: short stacking energy: -18.258
Base-Backbone interact. energy: -0.065
local terms energy: -43.393626
where:
bonds (distance) C4'-P energy: -20.039
bonds (distance) P-C4' energy: -10.315
flat angles C4'-P-C4' energy: -4.049
flat angles P-C4'-P energy: -7.818
tors. eta vs tors. theta energy: -1.172
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 252
Temperature: 0.900000
Total energy: -294.443085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.443085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.443085 (E_RNA)
where:
Base-Base interactions energy: -198.616
where: short stacking energy: -75.405
Base-Backbone interact. energy: -1.055
local terms energy: -94.772610
where:
bonds (distance) C4'-P energy: -21.677
bonds (distance) P-C4' energy: -17.671
flat angles C4'-P-C4' energy: -17.588
flat angles P-C4'-P energy: -15.015
tors. eta vs tors. theta energy: -22.822
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 252
Temperature: 0.950000
Total energy: -289.555254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.555254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.555254 (E_RNA)
where:
Base-Base interactions energy: -194.507
where: short stacking energy: -84.027
Base-Backbone interact. energy: -0.000
local terms energy: -95.048377
where:
bonds (distance) C4'-P energy: -18.743
bonds (distance) P-C4' energy: -17.138
flat angles C4'-P-C4' energy: -19.294
flat angles P-C4'-P energy: -12.483
tors. eta vs tors. theta energy: -27.390
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 252
Temperature: 1.000000
Total energy: -279.781433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.781433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.781433 (E_RNA)
where:
Base-Base interactions energy: -186.444
where: short stacking energy: -76.189
Base-Backbone interact. energy: -1.177
local terms energy: -92.160189
where:
bonds (distance) C4'-P energy: -14.520
bonds (distance) P-C4' energy: -21.123
flat angles C4'-P-C4' energy: -18.900
flat angles P-C4'-P energy: -14.753
tors. eta vs tors. theta energy: -22.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 252
Temperature: 1.050000
Total energy: -271.371554 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.371554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.371554 (E_RNA)
where:
Base-Base interactions energy: -193.850
where: short stacking energy: -78.891
Base-Backbone interact. energy: -0.165
local terms energy: -77.356943
where:
bonds (distance) C4'-P energy: -13.458
bonds (distance) P-C4' energy: -14.371
flat angles C4'-P-C4' energy: -15.466
flat angles P-C4'-P energy: -9.713
tors. eta vs tors. theta energy: -24.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 252
Temperature: 1.100000
Total energy: -255.836137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.836137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.836137 (E_RNA)
where:
Base-Base interactions energy: -166.463
where: short stacking energy: -67.198
Base-Backbone interact. energy: -0.393
local terms energy: -88.980118
where:
bonds (distance) C4'-P energy: -18.983
bonds (distance) P-C4' energy: -15.942
flat angles C4'-P-C4' energy: -20.348
flat angles P-C4'-P energy: -9.877
tors. eta vs tors. theta energy: -23.830
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 252
Temperature: 1.150000
Total energy: -256.572119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.572119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.572119 (E_RNA)
where:
Base-Base interactions energy: -176.238
where: short stacking energy: -67.064
Base-Backbone interact. energy: -0.072
local terms energy: -80.261501
where:
bonds (distance) C4'-P energy: -14.850
bonds (distance) P-C4' energy: -14.653
flat angles C4'-P-C4' energy: -19.313
flat angles P-C4'-P energy: -11.467
tors. eta vs tors. theta energy: -19.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 252
Temperature: 1.200000
Total energy: -238.707834 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.707834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.707834 (E_RNA)
where:
Base-Base interactions energy: -162.732
where: short stacking energy: -62.903
Base-Backbone interact. energy: -0.253
local terms energy: -75.722378
where:
bonds (distance) C4'-P energy: -16.122
bonds (distance) P-C4' energy: -14.833
flat angles C4'-P-C4' energy: -18.366
flat angles P-C4'-P energy: -9.031
tors. eta vs tors. theta energy: -17.370
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: 2
=====================================
Write number: 252
Temperature: 1.250000
Total energy: -164.572629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.572629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.572629 (E_RNA)
where:
Base-Base interactions energy: -97.906
where: short stacking energy: -33.850
Base-Backbone interact. energy: -0.557
local terms energy: -66.109304
where:
bonds (distance) C4'-P energy: -15.040
bonds (distance) P-C4' energy: -17.199
flat angles C4'-P-C4' energy: -13.500
flat angles P-C4'-P energy: -12.983
tors. eta vs tors. theta energy: -7.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 252
Temperature: 1.300000
Total energy: -95.800790 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.800790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.800790 (E_RNA)
where:
Base-Base interactions energy: -35.409
where: short stacking energy: -29.958
Base-Backbone interact. energy: -0.149
local terms energy: -60.242577
where:
bonds (distance) C4'-P energy: -16.814
bonds (distance) P-C4' energy: -18.064
flat angles C4'-P-C4' energy: -12.669
flat angles P-C4'-P energy: -11.861
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: 10, replica: 9
=====================================
Write number: 252
Temperature: 1.350000
Total energy: -102.070096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.070096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.070096 (E_RNA)
where:
Base-Base interactions energy: -46.772
where: short stacking energy: -34.796
Base-Backbone interact. energy: -0.034
local terms energy: -55.263524
where:
bonds (distance) C4'-P energy: -13.003
bonds (distance) P-C4' energy: -20.323
flat angles C4'-P-C4' energy: -13.803
flat angles P-C4'-P energy: -4.036
tors. eta vs tors. theta energy: -4.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 253
Temperature: 0.900000
Total energy: -285.961222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.961222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.961222 (E_RNA)
where:
Base-Base interactions energy: -189.595
where: short stacking energy: -81.055
Base-Backbone interact. energy: -0.091
local terms energy: -96.275200
where:
bonds (distance) C4'-P energy: -19.443
bonds (distance) P-C4' energy: -16.310
flat angles C4'-P-C4' energy: -18.321
flat angles P-C4'-P energy: -17.048
tors. eta vs tors. theta energy: -25.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 253
Temperature: 0.950000
Total energy: -283.111841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.111841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.111841 (E_RNA)
where:
Base-Base interactions energy: -192.738
where: short stacking energy: -65.992
Base-Backbone interact. energy: -0.231
local terms energy: -90.143164
where:
bonds (distance) C4'-P energy: -16.768
bonds (distance) P-C4' energy: -20.872
flat angles C4'-P-C4' energy: -20.318
flat angles P-C4'-P energy: -11.984
tors. eta vs tors. theta energy: -20.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 253
Temperature: 1.000000
Total energy: -284.390343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.390343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.390343 (E_RNA)
where:
Base-Base interactions energy: -190.408
where: short stacking energy: -73.460
Base-Backbone interact. energy: -1.146
local terms energy: -92.835693
where:
bonds (distance) C4'-P energy: -17.881
bonds (distance) P-C4' energy: -20.358
flat angles C4'-P-C4' energy: -17.477
flat angles P-C4'-P energy: -11.655
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: 4, replica: 5
=====================================
Write number: 253
Temperature: 1.050000
Total energy: -270.279645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.279645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.279645 (E_RNA)
where:
Base-Base interactions energy: -193.403
where: short stacking energy: -79.363
Base-Backbone interact. energy: 0.179
local terms energy: -77.055990
where:
bonds (distance) C4'-P energy: -18.833
bonds (distance) P-C4' energy: -15.606
flat angles C4'-P-C4' energy: -16.576
flat angles P-C4'-P energy: -7.773
tors. eta vs tors. theta energy: -18.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 253
Temperature: 1.100000
Total energy: -254.968402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.968402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.968402 (E_RNA)
where:
Base-Base interactions energy: -173.679
where: short stacking energy: -70.850
Base-Backbone interact. energy: -1.122
local terms energy: -80.167345
where:
bonds (distance) C4'-P energy: -17.153
bonds (distance) P-C4' energy: -14.508
flat angles C4'-P-C4' energy: -17.192
flat angles P-C4'-P energy: -10.174
tors. eta vs tors. theta energy: -21.140
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: 6, replica: 7
=====================================
Write number: 253
Temperature: 1.150000
Total energy: -254.720071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.720071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.720071 (E_RNA)
where:
Base-Base interactions energy: -176.950
where: short stacking energy: -64.846
Base-Backbone interact. energy: -0.846
local terms energy: -76.924067
where:
bonds (distance) C4'-P energy: -13.473
bonds (distance) P-C4' energy: -13.808
flat angles C4'-P-C4' energy: -16.776
flat angles P-C4'-P energy: -14.903
tors. eta vs tors. theta energy: -17.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 253
Temperature: 1.200000
Total energy: -252.409926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.409926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.409926 (E_RNA)
where:
Base-Base interactions energy: -162.080
where: short stacking energy: -69.189
Base-Backbone interact. energy: -0.007
local terms energy: -90.322573
where:
bonds (distance) C4'-P energy: -15.625
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -18.716
flat angles P-C4'-P energy: -13.951
tors. eta vs tors. theta energy: -23.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 253
Temperature: 1.250000
Total energy: -163.515410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.515410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.515410 (E_RNA)
where:
Base-Base interactions energy: -109.266
where: short stacking energy: -45.471
Base-Backbone interact. energy: -0.154
local terms energy: -54.095594
where:
bonds (distance) C4'-P energy: -16.698
bonds (distance) P-C4' energy: -15.994
flat angles C4'-P-C4' energy: -7.749
flat angles P-C4'-P energy: -10.079
tors. eta vs tors. theta energy: -3.575
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 253
Temperature: 1.300000
Total energy: -86.546491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.546491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.546491 (E_RNA)
where:
Base-Base interactions energy: -27.237
where: short stacking energy: -25.761
Base-Backbone interact. energy: -0.343
local terms energy: -58.966345
where:
bonds (distance) C4'-P energy: -13.493
bonds (distance) P-C4' energy: -17.602
flat angles C4'-P-C4' energy: -16.624
flat angles P-C4'-P energy: -10.758
tors. eta vs tors. theta energy: -0.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 253
Temperature: 1.350000
Total energy: -85.005005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.005005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.005005 (E_RNA)
where:
Base-Base interactions energy: -29.313
where: short stacking energy: -27.740
Base-Backbone interact. energy: 0.256
local terms energy: -55.948460
where:
bonds (distance) C4'-P energy: -14.221
bonds (distance) P-C4' energy: -18.048
flat angles C4'-P-C4' energy: -14.761
flat angles P-C4'-P energy: -4.512
tors. eta vs tors. theta energy: -4.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 254
Temperature: 0.900000
Total energy: -291.885197 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.885197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.885197 (E_RNA)
where:
Base-Base interactions energy: -195.332
where: short stacking energy: -73.991
Base-Backbone interact. energy: 0.019
local terms energy: -96.572674
where:
bonds (distance) C4'-P energy: -17.821
bonds (distance) P-C4' energy: -19.364
flat angles C4'-P-C4' energy: -21.642
flat angles P-C4'-P energy: -15.797
tors. eta vs tors. theta energy: -21.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 254
Temperature: 0.950000
Total energy: -283.820541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.820541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.820541 (E_RNA)
where:
Base-Base interactions energy: -189.853
where: short stacking energy: -74.549
Base-Backbone interact. energy: -2.449
local terms energy: -91.518541
where:
bonds (distance) C4'-P energy: -18.520
bonds (distance) P-C4' energy: -20.306
flat angles C4'-P-C4' energy: -19.398
flat angles P-C4'-P energy: -10.560
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: 10
=====================================
Write number: 254
Temperature: 1.000000
Total energy: -286.852738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.852738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.852738 (E_RNA)
where:
Base-Base interactions energy: -188.799
where: short stacking energy: -86.453
Base-Backbone interact. energy: -0.002
local terms energy: -98.051829
where:
bonds (distance) C4'-P energy: -16.394
bonds (distance) P-C4' energy: -20.674
flat angles C4'-P-C4' energy: -21.857
flat angles P-C4'-P energy: -14.426
tors. eta vs tors. theta energy: -24.701
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: 5
=====================================
Write number: 254
Temperature: 1.050000
Total energy: -277.650087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.650087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.650087 (E_RNA)
where:
Base-Base interactions energy: -184.740
where: short stacking energy: -80.589
Base-Backbone interact. energy: -2.399
local terms energy: -90.510515
where:
bonds (distance) C4'-P energy: -16.624
bonds (distance) P-C4' energy: -18.045
flat angles C4'-P-C4' energy: -20.005
flat angles P-C4'-P energy: -11.396
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: 5, replica: 7
=====================================
Write number: 254
Temperature: 1.100000
Total energy: -250.081116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.081116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.081116 (E_RNA)
where:
Base-Base interactions energy: -172.306
where: short stacking energy: -68.900
Base-Backbone interact. energy: -0.251
local terms energy: -77.524308
where:
bonds (distance) C4'-P energy: -14.151
bonds (distance) P-C4' energy: -20.877
flat angles C4'-P-C4' energy: -14.668
flat angles P-C4'-P energy: -6.554
tors. eta vs tors. theta energy: -21.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 254
Temperature: 1.150000
Total energy: -246.074571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.074571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.074571 (E_RNA)
where:
Base-Base interactions energy: -170.596
where: short stacking energy: -65.216
Base-Backbone interact. energy: -1.765
local terms energy: -73.713365
where:
bonds (distance) C4'-P energy: -16.949
bonds (distance) P-C4' energy: -15.392
flat angles C4'-P-C4' energy: -16.978
flat angles P-C4'-P energy: -8.308
tors. eta vs tors. theta energy: -16.087
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 254
Temperature: 1.200000
Total energy: -260.685536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.685536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.685536 (E_RNA)
where:
Base-Base interactions energy: -178.228
where: short stacking energy: -76.377
Base-Backbone interact. energy: -0.580
local terms energy: -81.877768
where:
bonds (distance) C4'-P energy: -16.009
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -14.343
flat angles P-C4'-P energy: -13.268
tors. eta vs tors. theta energy: -21.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 254
Temperature: 1.250000
Total energy: -161.176225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.176225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.176225 (E_RNA)
where:
Base-Base interactions energy: -96.960
where: short stacking energy: -42.079
Base-Backbone interact. energy: -0.837
local terms energy: -63.379533
where:
bonds (distance) C4'-P energy: -20.126
bonds (distance) P-C4' energy: -11.609
flat angles C4'-P-C4' energy: -15.821
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: -5.665
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: 9
=====================================
Write number: 254
Temperature: 1.300000
Total energy: -85.303645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.303645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.303645 (E_RNA)
where:
Base-Base interactions energy: -33.509
where: short stacking energy: -28.231
Base-Backbone interact. energy: -0.205
local terms energy: -51.590493
where:
bonds (distance) C4'-P energy: -16.358
bonds (distance) P-C4' energy: -14.313
flat angles C4'-P-C4' energy: -10.746
flat angles P-C4'-P energy: -6.720
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)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 254
Temperature: 1.350000
Total energy: -87.483407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.483407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.483407 (E_RNA)
where:
Base-Base interactions energy: -35.990
where: short stacking energy: -28.117
Base-Backbone interact. energy: 2.138
local terms energy: -53.631584
where:
bonds (distance) C4'-P energy: -12.437
bonds (distance) P-C4' energy: -12.850
flat angles C4'-P-C4' energy: -16.626
flat angles P-C4'-P energy: -9.015
tors. eta vs tors. theta energy: -2.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 255
Temperature: 0.900000
Total energy: -289.681561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.681561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.681561 (E_RNA)
where:
Base-Base interactions energy: -195.934
where: short stacking energy: -83.144
Base-Backbone interact. energy: -0.924
local terms energy: -92.823442
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -16.388
flat angles C4'-P-C4' energy: -21.157
flat angles P-C4'-P energy: -13.425
tors. eta vs tors. theta energy: -27.918
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: 10
=====================================
Write number: 255
Temperature: 0.950000
Total energy: -278.591413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.591413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.591413 (E_RNA)
where:
Base-Base interactions energy: -188.993
where: short stacking energy: -81.539
Base-Backbone interact. energy: -0.023
local terms energy: -89.575028
where:
bonds (distance) C4'-P energy: -15.191
bonds (distance) P-C4' energy: -20.728
flat angles C4'-P-C4' energy: -17.107
flat angles P-C4'-P energy: -11.247
tors. eta vs tors. theta energy: -25.302
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: 8
=====================================
Write number: 255
Temperature: 1.000000
Total energy: -272.902507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.902507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.902507 (E_RNA)
where:
Base-Base interactions energy: -185.944
where: short stacking energy: -82.175
Base-Backbone interact. energy: -0.472
local terms energy: -86.486724
where:
bonds (distance) C4'-P energy: -16.096
bonds (distance) P-C4' energy: -15.764
flat angles C4'-P-C4' energy: -16.727
flat angles P-C4'-P energy: -13.152
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: 4, replica: 5
=====================================
Write number: 255
Temperature: 1.050000
Total energy: -271.668024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.668024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.668024 (E_RNA)
where:
Base-Base interactions energy: -187.679
where: short stacking energy: -79.898
Base-Backbone interact. energy: -0.131
local terms energy: -83.858650
where:
bonds (distance) C4'-P energy: -13.941
bonds (distance) P-C4' energy: -18.627
flat angles C4'-P-C4' energy: -17.960
flat angles P-C4'-P energy: -11.422
tors. eta vs tors. theta energy: -21.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 255
Temperature: 1.100000
Total energy: -267.434440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.434440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.434440 (E_RNA)
where:
Base-Base interactions energy: -185.215
where: short stacking energy: -76.395
Base-Backbone interact. energy: -0.021
local terms energy: -82.198386
where:
bonds (distance) C4'-P energy: -14.697
bonds (distance) P-C4' energy: -16.791
flat angles C4'-P-C4' energy: -19.609
flat angles P-C4'-P energy: -9.527
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: 6, replica: 3
=====================================
Write number: 255
Temperature: 1.150000
Total energy: -258.333146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.333146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.333146 (E_RNA)
where:
Base-Base interactions energy: -169.907
where: short stacking energy: -70.606
Base-Backbone interact. energy: 0.510
local terms energy: -88.935978
where:
bonds (distance) C4'-P energy: -18.531
bonds (distance) P-C4' energy: -20.280
flat angles C4'-P-C4' energy: -16.681
flat angles P-C4'-P energy: -12.702
tors. eta vs tors. theta energy: -20.743
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 255
Temperature: 1.200000
Total energy: -213.557327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.557327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.557327 (E_RNA)
where:
Base-Base interactions energy: -148.077
where: short stacking energy: -61.943
Base-Backbone interact. energy: -0.004
local terms energy: -65.476668
where:
bonds (distance) C4'-P energy: -13.022
bonds (distance) P-C4' energy: -9.168
flat angles C4'-P-C4' energy: -15.639
flat angles P-C4'-P energy: -10.415
tors. eta vs tors. theta energy: -17.233
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: 2
=====================================
Write number: 255
Temperature: 1.250000
Total energy: -145.791082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.791082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.791082 (E_RNA)
where:
Base-Base interactions energy: -89.780
where: short stacking energy: -48.394
Base-Backbone interact. energy: -0.254
local terms energy: -55.757103
where:
bonds (distance) C4'-P energy: -14.505
bonds (distance) P-C4' energy: -12.140
flat angles C4'-P-C4' energy: -15.619
flat angles P-C4'-P energy: -7.681
tors. eta vs tors. theta energy: -5.813
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: 9
=====================================
Write number: 255
Temperature: 1.300000
Total energy: -89.955304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.955304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.955304 (E_RNA)
where:
Base-Base interactions energy: -27.643
where: short stacking energy: -27.643
Base-Backbone interact. energy: -0.205
local terms energy: -62.107429
where:
bonds (distance) C4'-P energy: -16.230
bonds (distance) P-C4' energy: -15.212
flat angles C4'-P-C4' energy: -18.804
flat angles P-C4'-P energy: -5.987
tors. eta vs tors. theta energy: -5.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 255
Temperature: 1.350000
Total energy: -84.968108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.968108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.968108 (E_RNA)
where:
Base-Base interactions energy: -23.785
where: short stacking energy: -23.785
Base-Backbone interact. energy: -0.317
local terms energy: -60.865566
where:
bonds (distance) C4'-P energy: -14.794
bonds (distance) P-C4' energy: -17.670
flat angles C4'-P-C4' energy: -11.426
flat angles P-C4'-P energy: -9.624
tors. eta vs tors. theta energy: -7.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 256
Temperature: 0.900000
Total energy: -293.150073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.150073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.150073 (E_RNA)
where:
Base-Base interactions energy: -199.529
where: short stacking energy: -77.710
Base-Backbone interact. energy: -0.240
local terms energy: -93.381152
where:
bonds (distance) C4'-P energy: -17.604
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -18.688
flat angles P-C4'-P energy: -13.737
tors. eta vs tors. theta energy: -26.752
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: 10
=====================================
Write number: 256
Temperature: 0.950000
Total energy: -284.550652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.550652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.550652 (E_RNA)
where:
Base-Base interactions energy: -190.392
where: short stacking energy: -74.876
Base-Backbone interact. energy: -0.764
local terms energy: -93.394373
where:
bonds (distance) C4'-P energy: -17.086
bonds (distance) P-C4' energy: -18.252
flat angles C4'-P-C4' energy: -16.360
flat angles P-C4'-P energy: -15.822
tors. eta vs tors. theta energy: -25.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 256
Temperature: 1.000000
Total energy: -278.348692 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.348692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.348692 (E_RNA)
where:
Base-Base interactions energy: -192.069
where: short stacking energy: -73.990
Base-Backbone interact. energy: -1.180
local terms energy: -85.099626
where:
bonds (distance) C4'-P energy: -18.051
bonds (distance) P-C4' energy: -13.022
flat angles C4'-P-C4' energy: -19.331
flat angles P-C4'-P energy: -14.972
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: 4, replica: 8
=====================================
Write number: 256
Temperature: 1.050000
Total energy: -266.645236 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.645236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.645236 (E_RNA)
where:
Base-Base interactions energy: -187.674
where: short stacking energy: -77.703
Base-Backbone interact. energy: 0.187
local terms energy: -79.158909
where:
bonds (distance) C4'-P energy: -15.981
bonds (distance) P-C4' energy: -14.442
flat angles C4'-P-C4' energy: -18.129
flat angles P-C4'-P energy: -11.877
tors. eta vs tors. theta energy: -18.730
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: 256
Temperature: 1.100000
Total energy: -275.884221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.884221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.884221 (E_RNA)
where:
Base-Base interactions energy: -189.242
where: short stacking energy: -80.397
Base-Backbone interact. energy: -0.238
local terms energy: -86.403392
where:
bonds (distance) C4'-P energy: -12.610
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -17.328
flat angles P-C4'-P energy: -11.450
tors. eta vs tors. theta energy: -28.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 256
Temperature: 1.150000
Total energy: -266.748484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.748484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.748484 (E_RNA)
where:
Base-Base interactions energy: -183.964
where: short stacking energy: -72.044
Base-Backbone interact. energy: -0.082
local terms energy: -82.702522
where:
bonds (distance) C4'-P energy: -12.685
bonds (distance) P-C4' energy: -20.814
flat angles C4'-P-C4' energy: -15.346
flat angles P-C4'-P energy: -13.384
tors. eta vs tors. theta energy: -20.473
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 256
Temperature: 1.200000
Total energy: -168.204293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.204293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.204293 (E_RNA)
where:
Base-Base interactions energy: -100.650
where: short stacking energy: -46.579
Base-Backbone interact. energy: -0.075
local terms energy: -67.479154
where:
bonds (distance) C4'-P energy: -16.558
bonds (distance) P-C4' energy: -12.552
flat angles C4'-P-C4' energy: -18.419
flat angles P-C4'-P energy: -9.522
tors. eta vs tors. theta energy: -10.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 256
Temperature: 1.250000
Total energy: -199.152168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.152168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.152168 (E_RNA)
where:
Base-Base interactions energy: -133.475
where: short stacking energy: -51.423
Base-Backbone interact. energy: -0.335
local terms energy: -65.341579
where:
bonds (distance) C4'-P energy: -17.224
bonds (distance) P-C4' energy: -14.501
flat angles C4'-P-C4' energy: -12.910
flat angles P-C4'-P energy: -11.319
tors. eta vs tors. theta energy: -9.387
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 256
Temperature: 1.300000
Total energy: -100.375050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.375050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.375050 (E_RNA)
where:
Base-Base interactions energy: -38.490
where: short stacking energy: -37.677
Base-Backbone interact. energy: -0.268
local terms energy: -61.617149
where:
bonds (distance) C4'-P energy: -16.222
bonds (distance) P-C4' energy: -12.198
flat angles C4'-P-C4' energy: -17.014
flat angles P-C4'-P energy: -8.574
tors. eta vs tors. theta energy: -7.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 256
Temperature: 1.350000
Total energy: -81.214091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.214091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.214091 (E_RNA)
where:
Base-Base interactions energy: -34.585
where: short stacking energy: -30.610
Base-Backbone interact. energy: -0.418
local terms energy: -46.211295
where:
bonds (distance) C4'-P energy: -15.446
bonds (distance) P-C4' energy: -12.201
flat angles C4'-P-C4' energy: -9.548
flat angles P-C4'-P energy: -1.560
tors. eta vs tors. theta energy: -7.455
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 257
Temperature: 0.900000
Total energy: -288.601163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.601163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.601163 (E_RNA)
where:
Base-Base interactions energy: -188.836
where: short stacking energy: -84.155
Base-Backbone interact. energy: -0.174
local terms energy: -99.590427
where:
bonds (distance) C4'-P energy: -19.371
bonds (distance) P-C4' energy: -20.421
flat angles C4'-P-C4' energy: -19.745
flat angles P-C4'-P energy: -11.820
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: 2, replica: 5
=====================================
Write number: 257
Temperature: 0.950000
Total energy: -286.862101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.862101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.862101 (E_RNA)
where:
Base-Base interactions energy: -193.311
where: short stacking energy: -78.052
Base-Backbone interact. energy: -0.352
local terms energy: -93.199136
where:
bonds (distance) C4'-P energy: -17.839
bonds (distance) P-C4' energy: -19.109
flat angles C4'-P-C4' energy: -18.433
flat angles P-C4'-P energy: -11.629
tors. eta vs tors. theta energy: -26.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 257
Temperature: 1.000000
Total energy: -278.645065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.645065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.645065 (E_RNA)
where:
Base-Base interactions energy: -186.310
where: short stacking energy: -79.918
Base-Backbone interact. energy: -0.987
local terms energy: -91.348726
where:
bonds (distance) C4'-P energy: -13.150
bonds (distance) P-C4' energy: -18.754
flat angles C4'-P-C4' energy: -18.905
flat angles P-C4'-P energy: -15.580
tors. eta vs tors. theta energy: -24.960
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: 4, replica: 7
=====================================
Write number: 257
Temperature: 1.050000
Total energy: -272.825988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.825988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.825988 (E_RNA)
where:
Base-Base interactions energy: -182.190
where: short stacking energy: -81.138
Base-Backbone interact. energy: -1.792
local terms energy: -88.843812
where:
bonds (distance) C4'-P energy: -17.778
bonds (distance) P-C4' energy: -14.523
flat angles C4'-P-C4' energy: -17.928
flat angles P-C4'-P energy: -11.943
tors. eta vs tors. theta energy: -26.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 257
Temperature: 1.100000
Total energy: -262.652903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.652903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.652903 (E_RNA)
where:
Base-Base interactions energy: -174.533
where: short stacking energy: -73.155
Base-Backbone interact. energy: -0.070
local terms energy: -88.049287
where:
bonds (distance) C4'-P energy: -12.359
bonds (distance) P-C4' energy: -19.724
flat angles C4'-P-C4' energy: -20.607
flat angles P-C4'-P energy: -12.007
tors. eta vs tors. theta energy: -23.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 257
Temperature: 1.150000
Total energy: -267.042053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.042053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.042053 (E_RNA)
where:
Base-Base interactions energy: -186.235
where: short stacking energy: -72.239
Base-Backbone interact. energy: -0.147
local terms energy: -80.659759
where:
bonds (distance) C4'-P energy: -14.472
bonds (distance) P-C4' energy: -17.181
flat angles C4'-P-C4' energy: -16.616
flat angles P-C4'-P energy: -10.957
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: 7, replica: 2
=====================================
Write number: 257
Temperature: 1.200000
Total energy: -193.505328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.505328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.505328 (E_RNA)
where:
Base-Base interactions energy: -117.926
where: short stacking energy: -52.935
Base-Backbone interact. energy: -0.175
local terms energy: -75.404040
where:
bonds (distance) C4'-P energy: -19.148
bonds (distance) P-C4' energy: -18.903
flat angles C4'-P-C4' energy: -12.906
flat angles P-C4'-P energy: -10.918
tors. eta vs tors. theta energy: -13.528
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: 8, replica: 9
=====================================
Write number: 257
Temperature: 1.250000
Total energy: -130.543056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.543056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.543056 (E_RNA)
where:
Base-Base interactions energy: -69.241
where: short stacking energy: -36.938
Base-Backbone interact. energy: 0.373
local terms energy: -61.675126
where:
bonds (distance) C4'-P energy: -15.749
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -18.343
flat angles P-C4'-P energy: -8.336
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: 9, replica: 4
=====================================
Write number: 257
Temperature: 1.300000
Total energy: -161.829453 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.829453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.829453 (E_RNA)
where:
Base-Base interactions energy: -100.228
where: short stacking energy: -48.022
Base-Backbone interact. energy: 0.154
local terms energy: -61.756125
where:
bonds (distance) C4'-P energy: -14.978
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -12.675
flat angles P-C4'-P energy: -9.995
tors. eta vs tors. theta energy: -8.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 257
Temperature: 1.350000
Total energy: -120.098844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.098844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.098844 (E_RNA)
where:
Base-Base interactions energy: -68.630
where: short stacking energy: -26.144
Base-Backbone interact. energy: -0.779
local terms energy: -50.689261
where:
bonds (distance) C4'-P energy: -9.940
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -14.313
flat angles P-C4'-P energy: -10.981
tors. eta vs tors. theta energy: 0.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 258
Temperature: 0.900000
Total energy: -291.363956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.363956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.363956 (E_RNA)
where:
Base-Base interactions energy: -200.955
where: short stacking energy: -86.104
Base-Backbone interact. energy: -0.011
local terms energy: -90.398234
where:
bonds (distance) C4'-P energy: -13.746
bonds (distance) P-C4' energy: -21.253
flat angles C4'-P-C4' energy: -19.674
flat angles P-C4'-P energy: -12.177
tors. eta vs tors. theta energy: -23.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 258
Temperature: 0.950000
Total energy: -286.876530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.876530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.876530 (E_RNA)
where:
Base-Base interactions energy: -197.364
where: short stacking energy: -81.088
Base-Backbone interact. energy: -0.036
local terms energy: -89.476309
where:
bonds (distance) C4'-P energy: -19.529
bonds (distance) P-C4' energy: -19.556
flat angles C4'-P-C4' energy: -17.836
flat angles P-C4'-P energy: -6.045
tors. eta vs tors. theta energy: -26.510
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 258
Temperature: 1.000000
Total energy: -273.734202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.734202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.734202 (E_RNA)
where:
Base-Base interactions energy: -181.340
where: short stacking energy: -75.952
Base-Backbone interact. energy: -0.004
local terms energy: -92.389576
where:
bonds (distance) C4'-P energy: -19.773
bonds (distance) P-C4' energy: -14.296
flat angles C4'-P-C4' energy: -18.395
flat angles P-C4'-P energy: -14.144
tors. eta vs tors. theta energy: -25.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 258
Temperature: 1.050000
Total energy: -281.973622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.973622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.973622 (E_RNA)
where:
Base-Base interactions energy: -189.626
where: short stacking energy: -80.171
Base-Backbone interact. energy: -0.874
local terms energy: -91.474096
where:
bonds (distance) C4'-P energy: -17.313
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -19.019
flat angles P-C4'-P energy: -12.403
tors. eta vs tors. theta energy: -25.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 258
Temperature: 1.100000
Total energy: -272.546594 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.546594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.546594 (E_RNA)
where:
Base-Base interactions energy: -186.285
where: short stacking energy: -67.327
Base-Backbone interact. energy: -0.175
local terms energy: -86.086475
where:
bonds (distance) C4'-P energy: -18.018
bonds (distance) P-C4' energy: -16.404
flat angles C4'-P-C4' energy: -21.102
flat angles P-C4'-P energy: -12.259
tors. eta vs tors. theta energy: -18.304
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 258
Temperature: 1.150000
Total energy: -262.773481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.773481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.773481 (E_RNA)
where:
Base-Base interactions energy: -185.388
where: short stacking energy: -75.068
Base-Backbone interact. energy: 0.477
local terms energy: -77.863170
where:
bonds (distance) C4'-P energy: -15.215
bonds (distance) P-C4' energy: -19.503
flat angles C4'-P-C4' energy: -13.647
flat angles P-C4'-P energy: -12.261
tors. eta vs tors. theta energy: -17.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 258
Temperature: 1.200000
Total energy: -186.655739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.655739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.655739 (E_RNA)
where:
Base-Base interactions energy: -112.210
where: short stacking energy: -52.675
Base-Backbone interact. energy: -0.086
local terms energy: -74.359811
where:
bonds (distance) C4'-P energy: -16.506
bonds (distance) P-C4' energy: -16.053
flat angles C4'-P-C4' energy: -16.927
flat angles P-C4'-P energy: -11.406
tors. eta vs tors. theta energy: -13.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 258
Temperature: 1.250000
Total energy: -101.238915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.238915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.238915 (E_RNA)
where:
Base-Base interactions energy: -39.446
where: short stacking energy: -34.516
Base-Backbone interact. energy: 0.292
local terms energy: -62.084496
where:
bonds (distance) C4'-P energy: -10.609
bonds (distance) P-C4' energy: -17.655
flat angles C4'-P-C4' energy: -16.230
flat angles P-C4'-P energy: -13.963
tors. eta vs tors. theta energy: -3.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 258
Temperature: 1.300000
Total energy: -160.768857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.768857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.768857 (E_RNA)
where:
Base-Base interactions energy: -103.573
where: short stacking energy: -40.513
Base-Backbone interact. energy: -0.450
local terms energy: -56.745258
where:
bonds (distance) C4'-P energy: -12.491
bonds (distance) P-C4' energy: -14.352
flat angles C4'-P-C4' energy: -12.533
flat angles P-C4'-P energy: -10.234
tors. eta vs tors. theta energy: -7.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 258
Temperature: 1.350000
Total energy: -148.383348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.383348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.383348 (E_RNA)
where:
Base-Base interactions energy: -99.128
where: short stacking energy: -37.099
Base-Backbone interact. energy: -1.561
local terms energy: -47.694002
where:
bonds (distance) C4'-P energy: -10.538
bonds (distance) P-C4' energy: -15.993
flat angles C4'-P-C4' energy: -9.485
flat angles P-C4'-P energy: -8.466
tors. eta vs tors. theta energy: -3.213
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 259
Temperature: 0.900000
Total energy: -292.673154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.673154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.673154 (E_RNA)
where:
Base-Base interactions energy: -199.834
where: short stacking energy: -79.039
Base-Backbone interact. energy: -1.479
local terms energy: -91.360524
where:
bonds (distance) C4'-P energy: -18.089
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -18.086
flat angles P-C4'-P energy: -13.170
tors. eta vs tors. theta energy: -26.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 259
Temperature: 0.950000
Total energy: -281.921135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.921135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.921135 (E_RNA)
where:
Base-Base interactions energy: -189.659
where: short stacking energy: -74.069
Base-Backbone interact. energy: -0.119
local terms energy: -92.143818
where:
bonds (distance) C4'-P energy: -15.707
bonds (distance) P-C4' energy: -20.289
flat angles C4'-P-C4' energy: -20.012
flat angles P-C4'-P energy: -12.583
tors. eta vs tors. theta energy: -23.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 259
Temperature: 1.000000
Total energy: -275.130980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.130980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.130980 (E_RNA)
where:
Base-Base interactions energy: -186.731
where: short stacking energy: -77.437
Base-Backbone interact. energy: -0.013
local terms energy: -88.387305
where:
bonds (distance) C4'-P energy: -18.489
bonds (distance) P-C4' energy: -16.203
flat angles C4'-P-C4' energy: -20.032
flat angles P-C4'-P energy: -13.845
tors. eta vs tors. theta energy: -19.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 259
Temperature: 1.050000
Total energy: -265.992271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.992271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.992271 (E_RNA)
where:
Base-Base interactions energy: -177.333
where: short stacking energy: -64.191
Base-Backbone interact. energy: -0.414
local terms energy: -88.244621
where:
bonds (distance) C4'-P energy: -17.985
bonds (distance) P-C4' energy: -20.219
flat angles C4'-P-C4' energy: -17.705
flat angles P-C4'-P energy: -13.536
tors. eta vs tors. theta energy: -18.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 259
Temperature: 1.100000
Total energy: -269.546599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.546599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.546599 (E_RNA)
where:
Base-Base interactions energy: -183.601
where: short stacking energy: -72.853
Base-Backbone interact. energy: -1.332
local terms energy: -84.613432
where:
bonds (distance) C4'-P energy: -11.110
bonds (distance) P-C4' energy: -17.155
flat angles C4'-P-C4' energy: -17.310
flat angles P-C4'-P energy: -13.583
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: 6, replica: 8
=====================================
Write number: 259
Temperature: 1.150000
Total energy: -252.506910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.506910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.506910 (E_RNA)
where:
Base-Base interactions energy: -166.325
where: short stacking energy: -66.445
Base-Backbone interact. energy: -0.893
local terms energy: -85.288274
where:
bonds (distance) C4'-P energy: -16.730
bonds (distance) P-C4' energy: -18.134
flat angles C4'-P-C4' energy: -17.987
flat angles P-C4'-P energy: -11.066
tors. eta vs tors. theta energy: -21.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 259
Temperature: 1.200000
Total energy: -186.269132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.269132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.269132 (E_RNA)
where:
Base-Base interactions energy: -111.717
where: short stacking energy: -45.183
Base-Backbone interact. energy: -1.930
local terms energy: -72.622347
where:
bonds (distance) C4'-P energy: -18.121
bonds (distance) P-C4' energy: -12.060
flat angles C4'-P-C4' energy: -18.251
flat angles P-C4'-P energy: -9.710
tors. eta vs tors. theta energy: -14.481
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: 4
=====================================
Write number: 259
Temperature: 1.250000
Total energy: -195.662187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.662187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.662187 (E_RNA)
where:
Base-Base interactions energy: -129.946
where: short stacking energy: -58.155
Base-Backbone interact. energy: -0.117
local terms energy: -65.599464
where:
bonds (distance) C4'-P energy: -18.627
bonds (distance) P-C4' energy: -14.034
flat angles C4'-P-C4' energy: -17.033
flat angles P-C4'-P energy: -5.146
tors. eta vs tors. theta energy: -10.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 259
Temperature: 1.300000
Total energy: -90.216977 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.216977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.216977 (E_RNA)
where:
Base-Base interactions energy: -38.860
where: short stacking energy: -33.207
Base-Backbone interact. energy: 0.433
local terms energy: -51.789893
where:
bonds (distance) C4'-P energy: -6.187
bonds (distance) P-C4' energy: -15.295
flat angles C4'-P-C4' energy: -15.017
flat angles P-C4'-P energy: -11.355
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: 10, replica: 1
=====================================
Write number: 259
Temperature: 1.350000
Total energy: -144.694030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.694030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.694030 (E_RNA)
where:
Base-Base interactions energy: -80.326
where: short stacking energy: -33.641
Base-Backbone interact. energy: -0.026
local terms energy: -64.342480
where:
bonds (distance) C4'-P energy: -18.200
bonds (distance) P-C4' energy: -10.141
flat angles C4'-P-C4' energy: -16.845
flat angles P-C4'-P energy: -15.322
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: 1, replica: 7
=====================================
Write number: 260
Temperature: 0.900000
Total energy: -278.244167 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.244167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.244167 (E_RNA)
where:
Base-Base interactions energy: -195.796
where: short stacking energy: -75.202
Base-Backbone interact. energy: -0.562
local terms energy: -81.885884
where:
bonds (distance) C4'-P energy: -14.400
bonds (distance) P-C4' energy: -17.921
flat angles C4'-P-C4' energy: -15.400
flat angles P-C4'-P energy: -11.174
tors. eta vs tors. theta energy: -22.992
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: 6
=====================================
Write number: 260
Temperature: 0.950000
Total energy: -283.808033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.808033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.808033 (E_RNA)
where:
Base-Base interactions energy: -194.226
where: short stacking energy: -83.624
Base-Backbone interact. energy: -0.096
local terms energy: -89.485839
where:
bonds (distance) C4'-P energy: -21.035
bonds (distance) P-C4' energy: -16.392
flat angles C4'-P-C4' energy: -14.616
flat angles P-C4'-P energy: -11.222
tors. eta vs tors. theta energy: -26.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 260
Temperature: 1.000000
Total energy: -265.337283 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.337283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.337283 (E_RNA)
where:
Base-Base interactions energy: -173.915
where: short stacking energy: -71.527
Base-Backbone interact. energy: -0.008
local terms energy: -91.414649
where:
bonds (distance) C4'-P energy: -15.141
bonds (distance) P-C4' energy: -19.806
flat angles C4'-P-C4' energy: -21.314
flat angles P-C4'-P energy: -15.914
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: 5
=====================================
Write number: 260
Temperature: 1.050000
Total energy: -279.082688 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.082688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.082688 (E_RNA)
where:
Base-Base interactions energy: -198.724
where: short stacking energy: -83.248
Base-Backbone interact. energy: -0.940
local terms energy: -79.418987
where:
bonds (distance) C4'-P energy: -16.267
bonds (distance) P-C4' energy: -15.751
flat angles C4'-P-C4' energy: -15.795
flat angles P-C4'-P energy: -11.473
tors. eta vs tors. theta energy: -20.132
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: 10
=====================================
Write number: 260
Temperature: 1.100000
Total energy: -260.443993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.443993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.443993 (E_RNA)
where:
Base-Base interactions energy: -176.162
where: short stacking energy: -73.972
Base-Backbone interact. energy: -1.585
local terms energy: -82.696919
where:
bonds (distance) C4'-P energy: -15.692
bonds (distance) P-C4' energy: -15.035
flat angles C4'-P-C4' energy: -16.949
flat angles P-C4'-P energy: -12.805
tors. eta vs tors. theta energy: -22.217
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 260
Temperature: 1.150000
Total energy: -269.508969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.508969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.508969 (E_RNA)
where:
Base-Base interactions energy: -185.303
where: short stacking energy: -79.374
Base-Backbone interact. energy: -0.655
local terms energy: -83.551068
where:
bonds (distance) C4'-P energy: -12.304
bonds (distance) P-C4' energy: -16.958
flat angles C4'-P-C4' energy: -15.960
flat angles P-C4'-P energy: -13.099
tors. eta vs tors. theta energy: -25.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 260
Temperature: 1.200000
Total energy: -204.827341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.827341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.827341 (E_RNA)
where:
Base-Base interactions energy: -136.765
where: short stacking energy: -58.673
Base-Backbone interact. energy: -0.027
local terms energy: -68.034725
where:
bonds (distance) C4'-P energy: -15.159
bonds (distance) P-C4' energy: -13.367
flat angles C4'-P-C4' energy: -11.026
flat angles P-C4'-P energy: -13.476
tors. eta vs tors. theta energy: -15.007
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: 2
=====================================
Write number: 260
Temperature: 1.250000
Total energy: -183.285564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.285564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.285564 (E_RNA)
where:
Base-Base interactions energy: -124.348
where: short stacking energy: -52.867
Base-Backbone interact. energy: -0.042
local terms energy: -58.895531
where:
bonds (distance) C4'-P energy: -14.527
bonds (distance) P-C4' energy: -8.202
flat angles C4'-P-C4' energy: -17.109
flat angles P-C4'-P energy: -7.044
tors. eta vs tors. theta energy: -12.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 260
Temperature: 1.300000
Total energy: -145.869493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.869493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.869493 (E_RNA)
where:
Base-Base interactions energy: -79.484
where: short stacking energy: -39.084
Base-Backbone interact. energy: -0.230
local terms energy: -66.155318
where:
bonds (distance) C4'-P energy: -18.764
bonds (distance) P-C4' energy: -14.862
flat angles C4'-P-C4' energy: -18.044
flat angles P-C4'-P energy: -8.425
tors. eta vs tors. theta energy: -6.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 260
Temperature: 1.350000
Total energy: -81.946814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.946814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.946814 (E_RNA)
where:
Base-Base interactions energy: -32.653
where: short stacking energy: -32.653
Base-Backbone interact. energy: -0.139
local terms energy: -49.154968
where:
bonds (distance) C4'-P energy: -11.101
bonds (distance) P-C4' energy: -15.081
flat angles C4'-P-C4' energy: -16.218
flat angles P-C4'-P energy: -6.950
tors. eta vs tors. theta energy: 0.195
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 261
Temperature: 0.900000
Total energy: -291.538344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.538344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.538344 (E_RNA)
where:
Base-Base interactions energy: -204.101
where: short stacking energy: -76.248
Base-Backbone interact. energy: -0.090
local terms energy: -87.347028
where:
bonds (distance) C4'-P energy: -16.251
bonds (distance) P-C4' energy: -18.513
flat angles C4'-P-C4' energy: -16.866
flat angles P-C4'-P energy: -10.659
tors. eta vs tors. theta energy: -25.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 261
Temperature: 0.950000
Total energy: -284.870026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.870026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.870026 (E_RNA)
where:
Base-Base interactions energy: -191.262
where: short stacking energy: -77.397
Base-Backbone interact. energy: -0.426
local terms energy: -93.181991
where:
bonds (distance) C4'-P energy: -19.715
bonds (distance) P-C4' energy: -18.001
flat angles C4'-P-C4' energy: -17.846
flat angles P-C4'-P energy: -14.596
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: 3, replica: 6
=====================================
Write number: 261
Temperature: 1.000000
Total energy: -278.002312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.002312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.002312 (E_RNA)
where:
Base-Base interactions energy: -189.704
where: short stacking energy: -72.415
Base-Backbone interact. energy: 1.029
local terms energy: -89.328128
where:
bonds (distance) C4'-P energy: -14.164
bonds (distance) P-C4' energy: -18.762
flat angles C4'-P-C4' energy: -21.275
flat angles P-C4'-P energy: -16.198
tors. eta vs tors. theta energy: -18.929
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: 5
=====================================
Write number: 261
Temperature: 1.050000
Total energy: -281.192581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.192581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.192581 (E_RNA)
where:
Base-Base interactions energy: -194.181
where: short stacking energy: -79.064
Base-Backbone interact. energy: -0.809
local terms energy: -86.202461
where:
bonds (distance) C4'-P energy: -14.052
bonds (distance) P-C4' energy: -19.470
flat angles C4'-P-C4' energy: -14.442
flat angles P-C4'-P energy: -11.374
tors. eta vs tors. theta energy: -26.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 261
Temperature: 1.100000
Total energy: -261.134061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.134061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.134061 (E_RNA)
where:
Base-Base interactions energy: -178.527
where: short stacking energy: -67.416
Base-Backbone interact. energy: -0.468
local terms energy: -82.138852
where:
bonds (distance) C4'-P energy: -14.871
bonds (distance) P-C4' energy: -19.259
flat angles C4'-P-C4' energy: -18.055
flat angles P-C4'-P energy: -6.669
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: 6, replica: 8
=====================================
Write number: 261
Temperature: 1.150000
Total energy: -262.801378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.801378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.801378 (E_RNA)
where:
Base-Base interactions energy: -176.721
where: short stacking energy: -73.344
Base-Backbone interact. energy: -0.092
local terms energy: -85.988362
where:
bonds (distance) C4'-P energy: -17.538
bonds (distance) P-C4' energy: -14.562
flat angles C4'-P-C4' energy: -16.821
flat angles P-C4'-P energy: -13.060
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: 7, replica: 4
=====================================
Write number: 261
Temperature: 1.200000
Total energy: -209.414206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.414206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.414206 (E_RNA)
where:
Base-Base interactions energy: -143.665
where: short stacking energy: -57.013
Base-Backbone interact. energy: -0.116
local terms energy: -65.633048
where:
bonds (distance) C4'-P energy: -9.674
bonds (distance) P-C4' energy: -16.449
flat angles C4'-P-C4' energy: -18.198
flat angles P-C4'-P energy: -5.660
tors. eta vs tors. theta energy: -15.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 261
Temperature: 1.250000
Total energy: -165.554551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.554551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.554551 (E_RNA)
where:
Base-Base interactions energy: -96.097
where: short stacking energy: -45.307
Base-Backbone interact. energy: -0.277
local terms energy: -69.180283
where:
bonds (distance) C4'-P energy: -12.227
bonds (distance) P-C4' energy: -16.981
flat angles C4'-P-C4' energy: -12.443
flat angles P-C4'-P energy: -15.029
tors. eta vs tors. theta energy: -12.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 261
Temperature: 1.300000
Total energy: -164.870350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.870350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.870350 (E_RNA)
where:
Base-Base interactions energy: -101.085
where: short stacking energy: -36.153
Base-Backbone interact. energy: -0.505
local terms energy: -63.280128
where:
bonds (distance) C4'-P energy: -18.619
bonds (distance) P-C4' energy: -15.502
flat angles C4'-P-C4' energy: -16.604
flat angles P-C4'-P energy: -9.318
tors. eta vs tors. theta energy: -3.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 261
Temperature: 1.350000
Total energy: -86.115639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.115639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.115639 (E_RNA)
where:
Base-Base interactions energy: -42.147
where: short stacking energy: -34.248
Base-Backbone interact. energy: -0.109
local terms energy: -43.859481
where:
bonds (distance) C4'-P energy: -15.833
bonds (distance) P-C4' energy: -17.904
flat angles C4'-P-C4' energy: -14.707
flat angles P-C4'-P energy: 1.369
tors. eta vs tors. theta energy: 3.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 262
Temperature: 0.900000
Total energy: -288.248944 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.248944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.248944 (E_RNA)
where:
Base-Base interactions energy: -196.167
where: short stacking energy: -84.489
Base-Backbone interact. energy: -1.001
local terms energy: -91.080618
where:
bonds (distance) C4'-P energy: -16.437
bonds (distance) P-C4' energy: -18.585
flat angles C4'-P-C4' energy: -18.750
flat angles P-C4'-P energy: -12.706
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: 2, replica: 3
=====================================
Write number: 262
Temperature: 0.950000
Total energy: -280.932454 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.932454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.932454 (E_RNA)
where:
Base-Base interactions energy: -193.965
where: short stacking energy: -76.391
Base-Backbone interact. energy: -0.199
local terms energy: -86.768539
where:
bonds (distance) C4'-P energy: -11.663
bonds (distance) P-C4' energy: -18.809
flat angles C4'-P-C4' energy: -18.465
flat angles P-C4'-P energy: -13.996
tors. eta vs tors. theta energy: -23.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 262
Temperature: 1.000000
Total energy: -271.092619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.092619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.092619 (E_RNA)
where:
Base-Base interactions energy: -186.250
where: short stacking energy: -76.153
Base-Backbone interact. energy: -0.041
local terms energy: -84.801476
where:
bonds (distance) C4'-P energy: -11.953
bonds (distance) P-C4' energy: -17.719
flat angles C4'-P-C4' energy: -19.371
flat angles P-C4'-P energy: -13.775
tors. eta vs tors. theta energy: -21.983
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 262
Temperature: 1.050000
Total energy: -268.111979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.111979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.111979 (E_RNA)
where:
Base-Base interactions energy: -181.484
where: short stacking energy: -73.845
Base-Backbone interact. energy: -0.700
local terms energy: -85.928044
where:
bonds (distance) C4'-P energy: -17.317
bonds (distance) P-C4' energy: -16.607
flat angles C4'-P-C4' energy: -16.042
flat angles P-C4'-P energy: -14.191
tors. eta vs tors. theta energy: -21.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 262
Temperature: 1.100000
Total energy: -273.680185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.680185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.680185 (E_RNA)
where:
Base-Base interactions energy: -189.513
where: short stacking energy: -71.418
Base-Backbone interact. energy: -1.654
local terms energy: -82.513347
where:
bonds (distance) C4'-P energy: -17.526
bonds (distance) P-C4' energy: -17.253
flat angles C4'-P-C4' energy: -14.580
flat angles P-C4'-P energy: -11.015
tors. eta vs tors. theta energy: -22.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 262
Temperature: 1.150000
Total energy: -244.045174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.045174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.045174 (E_RNA)
where:
Base-Base interactions energy: -163.165
where: short stacking energy: -65.176
Base-Backbone interact. energy: -0.641
local terms energy: -80.239781
where:
bonds (distance) C4'-P energy: -17.210
bonds (distance) P-C4' energy: -18.654
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -10.417
tors. eta vs tors. theta energy: -17.468
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: 4
=====================================
Write number: 262
Temperature: 1.200000
Total energy: -208.369971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.369971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.369971 (E_RNA)
where:
Base-Base interactions energy: -133.783
where: short stacking energy: -49.383
Base-Backbone interact. energy: 0.002
local terms energy: -74.589172
where:
bonds (distance) C4'-P energy: -17.128
bonds (distance) P-C4' energy: -17.929
flat angles C4'-P-C4' energy: -10.199
flat angles P-C4'-P energy: -12.182
tors. eta vs tors. theta energy: -17.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 262
Temperature: 1.250000
Total energy: -162.305731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.305731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.305731 (E_RNA)
where:
Base-Base interactions energy: -97.536
where: short stacking energy: -49.037
Base-Backbone interact. energy: -0.063
local terms energy: -64.707189
where:
bonds (distance) C4'-P energy: -11.796
bonds (distance) P-C4' energy: -16.498
flat angles C4'-P-C4' energy: -16.383
flat angles P-C4'-P energy: -9.162
tors. eta vs tors. theta energy: -10.868
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: 1
=====================================
Write number: 262
Temperature: 1.300000
Total energy: -176.286632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.286632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.286632 (E_RNA)
where:
Base-Base interactions energy: -119.537
where: short stacking energy: -47.852
Base-Backbone interact. energy: 1.669
local terms energy: -58.418490
where:
bonds (distance) C4'-P energy: -14.571
bonds (distance) P-C4' energy: -16.247
flat angles C4'-P-C4' energy: -10.885
flat angles P-C4'-P energy: -6.727
tors. eta vs tors. theta energy: -9.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 262
Temperature: 1.350000
Total energy: -91.085040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.085040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.085040 (E_RNA)
where:
Base-Base interactions energy: -35.158
where: short stacking energy: -32.000
Base-Backbone interact. energy: -0.171
local terms energy: -55.756093
where:
bonds (distance) C4'-P energy: -15.542
bonds (distance) P-C4' energy: -16.873
flat angles C4'-P-C4' energy: -11.480
flat angles P-C4'-P energy: -12.399
tors. eta vs tors. theta energy: 0.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 263
Temperature: 0.900000
Total energy: -288.307896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.307896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.307896 (E_RNA)
where:
Base-Base interactions energy: -198.192
where: short stacking energy: -80.809
Base-Backbone interact. energy: -0.466
local terms energy: -89.649531
where:
bonds (distance) C4'-P energy: -18.395
bonds (distance) P-C4' energy: -17.325
flat angles C4'-P-C4' energy: -18.853
flat angles P-C4'-P energy: -12.428
tors. eta vs tors. theta energy: -22.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 263
Temperature: 0.950000
Total energy: -299.076259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.076259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.076259 (E_RNA)
where:
Base-Base interactions energy: -205.155
where: short stacking energy: -85.430
Base-Backbone interact. energy: -0.545
local terms energy: -93.376419
where:
bonds (distance) C4'-P energy: -17.483
bonds (distance) P-C4' energy: -20.895
flat angles C4'-P-C4' energy: -14.350
flat angles P-C4'-P energy: -16.965
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: 3, replica: 6
=====================================
Write number: 263
Temperature: 1.000000
Total energy: -269.812166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.812166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.812166 (E_RNA)
where:
Base-Base interactions energy: -187.446
where: short stacking energy: -70.501
Base-Backbone interact. energy: -0.378
local terms energy: -81.987824
where:
bonds (distance) C4'-P energy: -17.472
bonds (distance) P-C4' energy: -16.192
flat angles C4'-P-C4' energy: -18.424
flat angles P-C4'-P energy: -12.400
tors. eta vs tors. theta energy: -17.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 263
Temperature: 1.050000
Total energy: -274.222088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.222088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.222088 (E_RNA)
where:
Base-Base interactions energy: -187.792
where: short stacking energy: -76.543
Base-Backbone interact. energy: -0.038
local terms energy: -86.392254
where:
bonds (distance) C4'-P energy: -18.042
bonds (distance) P-C4' energy: -17.752
flat angles C4'-P-C4' energy: -17.607
flat angles P-C4'-P energy: -11.869
tors. eta vs tors. theta energy: -21.123
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: 5, replica: 5
=====================================
Write number: 263
Temperature: 1.100000
Total energy: -266.730864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.730864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.730864 (E_RNA)
where:
Base-Base interactions energy: -184.549
where: short stacking energy: -81.118
Base-Backbone interact. energy: -1.324
local terms energy: -80.858041
where:
bonds (distance) C4'-P energy: -13.765
bonds (distance) P-C4' energy: -15.268
flat angles C4'-P-C4' energy: -18.216
flat angles P-C4'-P energy: -11.732
tors. eta vs tors. theta energy: -21.877
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: 4
=====================================
Write number: 263
Temperature: 1.150000
Total energy: -248.143307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.143307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.143307 (E_RNA)
where:
Base-Base interactions energy: -162.834
where: short stacking energy: -60.251
Base-Backbone interact. energy: -0.009
local terms energy: -85.299680
where:
bonds (distance) C4'-P energy: -17.684
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -15.557
flat angles P-C4'-P energy: -13.328
tors. eta vs tors. theta energy: -21.468
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: 8
=====================================
Write number: 263
Temperature: 1.200000
Total energy: -241.824258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.824258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.824258 (E_RNA)
where:
Base-Base interactions energy: -171.282
where: short stacking energy: -63.317
Base-Backbone interact. energy: -0.396
local terms energy: -70.146010
where:
bonds (distance) C4'-P energy: -11.262
bonds (distance) P-C4' energy: -18.066
flat angles C4'-P-C4' energy: -12.955
flat angles P-C4'-P energy: -5.856
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: 8, replica: 2
=====================================
Write number: 263
Temperature: 1.250000
Total energy: -184.210071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.210071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.210071 (E_RNA)
where:
Base-Base interactions energy: -117.239
where: short stacking energy: -59.023
Base-Backbone interact. energy: -0.494
local terms energy: -66.476754
where:
bonds (distance) C4'-P energy: -9.694
bonds (distance) P-C4' energy: -16.375
flat angles C4'-P-C4' energy: -13.746
flat angles P-C4'-P energy: -10.393
tors. eta vs tors. theta energy: -16.269
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 263
Temperature: 1.300000
Total energy: -108.799875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.799875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.799875 (E_RNA)
where:
Base-Base interactions energy: -46.703
where: short stacking energy: -42.814
Base-Backbone interact. energy: -0.018
local terms energy: -62.078513
where:
bonds (distance) C4'-P energy: -14.680
bonds (distance) P-C4' energy: -16.793
flat angles C4'-P-C4' energy: -14.220
flat angles P-C4'-P energy: -10.264
tors. eta vs tors. theta energy: -6.122
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: 10, replica: 9
=====================================
Write number: 263
Temperature: 1.350000
Total energy: -80.902734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.902734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.902734 (E_RNA)
where:
Base-Base interactions energy: -20.700
where: short stacking energy: -20.700
Base-Backbone interact. energy: -0.277
local terms energy: -59.925920
where:
bonds (distance) C4'-P energy: -14.073
bonds (distance) P-C4' energy: -19.242
flat angles C4'-P-C4' energy: -18.426
flat angles P-C4'-P energy: -10.328
tors. eta vs tors. theta energy: 2.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 264
Temperature: 0.900000
Total energy: -285.319008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.319008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.319008 (E_RNA)
where:
Base-Base interactions energy: -191.057
where: short stacking energy: -79.251
Base-Backbone interact. energy: -1.280
local terms energy: -92.982451
where:
bonds (distance) C4'-P energy: -16.740
bonds (distance) P-C4' energy: -19.371
flat angles C4'-P-C4' energy: -17.670
flat angles P-C4'-P energy: -12.305
tors. eta vs tors. theta energy: -26.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 264
Temperature: 0.950000
Total energy: -281.573254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.573254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.573254 (E_RNA)
where:
Base-Base interactions energy: -203.116
where: short stacking energy: -78.415
Base-Backbone interact. energy: 0.599
local terms energy: -79.056541
where:
bonds (distance) C4'-P energy: -16.652
bonds (distance) P-C4' energy: -15.365
flat angles C4'-P-C4' energy: -17.374
flat angles P-C4'-P energy: -9.416
tors. eta vs tors. theta energy: -20.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 264
Temperature: 1.000000
Total energy: -272.842417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.842417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.842417 (E_RNA)
where:
Base-Base interactions energy: -183.767
where: short stacking energy: -80.870
Base-Backbone interact. energy: -0.283
local terms energy: -88.792137
where:
bonds (distance) C4'-P energy: -18.299
bonds (distance) P-C4' energy: -15.848
flat angles C4'-P-C4' energy: -16.930
flat angles P-C4'-P energy: -12.321
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: 6
=====================================
Write number: 264
Temperature: 1.050000
Total energy: -268.083456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.083456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.083456 (E_RNA)
where:
Base-Base interactions energy: -182.356
where: short stacking energy: -67.722
Base-Backbone interact. energy: -0.351
local terms energy: -85.377097
where:
bonds (distance) C4'-P energy: -19.418
bonds (distance) P-C4' energy: -17.337
flat angles C4'-P-C4' energy: -17.098
flat angles P-C4'-P energy: -13.641
tors. eta vs tors. theta energy: -17.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 264
Temperature: 1.100000
Total energy: -269.328979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.328979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.328979 (E_RNA)
where:
Base-Base interactions energy: -186.870
where: short stacking energy: -64.339
Base-Backbone interact. energy: -0.033
local terms energy: -82.426282
where:
bonds (distance) C4'-P energy: -13.033
bonds (distance) P-C4' energy: -18.030
flat angles C4'-P-C4' energy: -19.693
flat angles P-C4'-P energy: -14.235
tors. eta vs tors. theta energy: -17.436
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 264
Temperature: 1.150000
Total energy: -262.679823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.679823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.679823 (E_RNA)
where:
Base-Base interactions energy: -180.876
where: short stacking energy: -69.734
Base-Backbone interact. energy: -0.097
local terms energy: -81.707138
where:
bonds (distance) C4'-P energy: -13.361
bonds (distance) P-C4' energy: -15.775
flat angles C4'-P-C4' energy: -19.689
flat angles P-C4'-P energy: -7.044
tors. eta vs tors. theta energy: -25.839
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 264
Temperature: 1.200000
Total energy: -241.250797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -241.250797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -241.250797 (E_RNA)
where:
Base-Base interactions energy: -155.097
where: short stacking energy: -66.605
Base-Backbone interact. energy: -0.556
local terms energy: -85.597139
where:
bonds (distance) C4'-P energy: -19.054
bonds (distance) P-C4' energy: -13.378
flat angles C4'-P-C4' energy: -19.068
flat angles P-C4'-P energy: -13.685
tors. eta vs tors. theta energy: -20.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 264
Temperature: 1.250000
Total energy: -193.034898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.034898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.034898 (E_RNA)
where:
Base-Base interactions energy: -126.781
where: short stacking energy: -49.942
Base-Backbone interact. energy: 0.057
local terms energy: -66.311366
where:
bonds (distance) C4'-P energy: -4.464
bonds (distance) P-C4' energy: -18.973
flat angles C4'-P-C4' energy: -18.019
flat angles P-C4'-P energy: -10.778
tors. eta vs tors. theta energy: -14.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 264
Temperature: 1.300000
Total energy: -86.654423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.654423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.654423 (E_RNA)
where:
Base-Base interactions energy: -27.720
where: short stacking energy: -23.856
Base-Backbone interact. energy: 1.195
local terms energy: -60.130097
where:
bonds (distance) C4'-P energy: -17.455
bonds (distance) P-C4' energy: -12.834
flat angles C4'-P-C4' energy: -16.716
flat angles P-C4'-P energy: -11.724
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: 10, replica: 1
=====================================
Write number: 264
Temperature: 1.350000
Total energy: -87.593980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.593980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.593980 (E_RNA)
where:
Base-Base interactions energy: -33.259
where: short stacking energy: -26.415
Base-Backbone interact. energy: 1.315
local terms energy: -55.649134
where:
bonds (distance) C4'-P energy: -14.120
bonds (distance) P-C4' energy: -19.600
flat angles C4'-P-C4' energy: -12.132
flat angles P-C4'-P energy: -11.302
tors. eta vs tors. theta energy: 1.505
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: 7
=====================================
Write number: 265
Temperature: 0.900000
Total energy: -292.502245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.502245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.502245 (E_RNA)
where:
Base-Base interactions energy: -196.083
where: short stacking energy: -87.727
Base-Backbone interact. energy: -1.048
local terms energy: -95.371397
where:
bonds (distance) C4'-P energy: -17.431
bonds (distance) P-C4' energy: -18.127
flat angles C4'-P-C4' energy: -16.368
flat angles P-C4'-P energy: -16.487
tors. eta vs tors. theta energy: -26.959
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 265
Temperature: 0.950000
Total energy: -278.502443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.502443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.502443 (E_RNA)
where:
Base-Base interactions energy: -188.986
where: short stacking energy: -87.150
Base-Backbone interact. energy: -0.012
local terms energy: -89.503768
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -21.579
flat angles C4'-P-C4' energy: -16.104
flat angles P-C4'-P energy: -8.501
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: 3
=====================================
Write number: 265
Temperature: 1.000000
Total energy: -281.501492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.501492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.501492 (E_RNA)
where:
Base-Base interactions energy: -190.972
where: short stacking energy: -72.452
Base-Backbone interact. energy: -0.075
local terms energy: -90.454139
where:
bonds (distance) C4'-P energy: -18.771
bonds (distance) P-C4' energy: -19.971
flat angles C4'-P-C4' energy: -19.228
flat angles P-C4'-P energy: -11.596
tors. eta vs tors. theta energy: -20.889
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: 6
=====================================
Write number: 265
Temperature: 1.050000
Total energy: -266.454777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.454777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.454777 (E_RNA)
where:
Base-Base interactions energy: -184.918
where: short stacking energy: -62.735
Base-Backbone interact. energy: 0.213
local terms energy: -81.749333
where:
bonds (distance) C4'-P energy: -16.147
bonds (distance) P-C4' energy: -19.591
flat angles C4'-P-C4' energy: -14.916
flat angles P-C4'-P energy: -13.142
tors. eta vs tors. theta energy: -17.954
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: 5, replica: 5
=====================================
Write number: 265
Temperature: 1.100000
Total energy: -271.046174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.046174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.046174 (E_RNA)
where:
Base-Base interactions energy: -191.031
where: short stacking energy: -81.788
Base-Backbone interact. energy: -0.101
local terms energy: -79.914036
where:
bonds (distance) C4'-P energy: -14.530
bonds (distance) P-C4' energy: -8.953
flat angles C4'-P-C4' energy: -18.215
flat angles P-C4'-P energy: -15.400
tors. eta vs tors. theta energy: -22.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 265
Temperature: 1.150000
Total energy: -259.968714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.968714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.968714 (E_RNA)
where:
Base-Base interactions energy: -171.679
where: short stacking energy: -75.573
Base-Backbone interact. energy: -0.003
local terms energy: -88.285987
where:
bonds (distance) C4'-P energy: -17.306
bonds (distance) P-C4' energy: -19.883
flat angles C4'-P-C4' energy: -17.929
flat angles P-C4'-P energy: -10.843
tors. eta vs tors. theta energy: -22.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 265
Temperature: 1.200000
Total energy: -267.086549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.086549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.086549 (E_RNA)
where:
Base-Base interactions energy: -187.852
where: short stacking energy: -75.776
Base-Backbone interact. energy: -0.928
local terms energy: -78.306004
where:
bonds (distance) C4'-P energy: -11.998
bonds (distance) P-C4' energy: -11.944
flat angles C4'-P-C4' energy: -14.026
flat angles P-C4'-P energy: -16.545
tors. eta vs tors. theta energy: -23.793
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: 8, replica: 2
=====================================
Write number: 265
Temperature: 1.250000
Total energy: -188.769743 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.769743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.769743 (E_RNA)
where:
Base-Base interactions energy: -125.389
where: short stacking energy: -46.747
Base-Backbone interact. energy: 3.896
local terms energy: -67.276229
where:
bonds (distance) C4'-P energy: -17.041
bonds (distance) P-C4' energy: -10.507
flat angles C4'-P-C4' energy: -13.290
flat angles P-C4'-P energy: -10.862
tors. eta vs tors. theta energy: -15.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 265
Temperature: 1.300000
Total energy: -82.679194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.679194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.679194 (E_RNA)
where:
Base-Base interactions energy: -29.053
where: short stacking energy: -18.509
Base-Backbone interact. energy: -0.908
local terms energy: -52.718562
where:
bonds (distance) C4'-P energy: -13.211
bonds (distance) P-C4' energy: -12.457
flat angles C4'-P-C4' energy: -16.582
flat angles P-C4'-P energy: -10.328
tors. eta vs tors. theta energy: -0.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 265
Temperature: 1.350000
Total energy: -105.169622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.169622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.169622 (E_RNA)
where:
Base-Base interactions energy: -49.893
where: short stacking energy: -33.699
Base-Backbone interact. energy: -0.369
local terms energy: -54.907040
where:
bonds (distance) C4'-P energy: -17.066
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -13.422
flat angles P-C4'-P energy: -2.956
tors. eta vs tors. theta energy: -6.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 266
Temperature: 0.900000
Total energy: -288.713666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.713666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.713666 (E_RNA)
where:
Base-Base interactions energy: -193.185
where: short stacking energy: -82.978
Base-Backbone interact. energy: -0.920
local terms energy: -94.608311
where:
bonds (distance) C4'-P energy: -18.621
bonds (distance) P-C4' energy: -16.274
flat angles C4'-P-C4' energy: -19.707
flat angles P-C4'-P energy: -14.435
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: 10
=====================================
Write number: 266
Temperature: 0.950000
Total energy: -278.548364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.548364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.548364 (E_RNA)
where:
Base-Base interactions energy: -187.141
where: short stacking energy: -74.771
Base-Backbone interact. energy: -0.758
local terms energy: -90.649158
where:
bonds (distance) C4'-P energy: -17.621
bonds (distance) P-C4' energy: -14.760
flat angles C4'-P-C4' energy: -17.172
flat angles P-C4'-P energy: -15.789
tors. eta vs tors. theta energy: -25.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 266
Temperature: 1.000000
Total energy: -276.409480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.409480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.409480 (E_RNA)
where:
Base-Base interactions energy: -186.783
where: short stacking energy: -67.959
Base-Backbone interact. energy: -0.801
local terms energy: -88.824917
where:
bonds (distance) C4'-P energy: -17.902
bonds (distance) P-C4' energy: -20.756
flat angles C4'-P-C4' energy: -17.485
flat angles P-C4'-P energy: -10.579
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: 4, replica: 3
=====================================
Write number: 266
Temperature: 1.050000
Total energy: -278.523922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.523922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.523922 (E_RNA)
where:
Base-Base interactions energy: -197.699
where: short stacking energy: -81.658
Base-Backbone interact. energy: -0.048
local terms energy: -80.777116
where:
bonds (distance) C4'-P energy: -10.400
bonds (distance) P-C4' energy: -15.744
flat angles C4'-P-C4' energy: -21.318
flat angles P-C4'-P energy: -12.181
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: 5, replica: 5
=====================================
Write number: 266
Temperature: 1.100000
Total energy: -272.480577 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.480577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.480577 (E_RNA)
where:
Base-Base interactions energy: -184.742
where: short stacking energy: -77.654
Base-Backbone interact. energy: -1.217
local terms energy: -86.521719
where:
bonds (distance) C4'-P energy: -18.498
bonds (distance) P-C4' energy: -14.188
flat angles C4'-P-C4' energy: -18.921
flat angles P-C4'-P energy: -9.482
tors. eta vs tors. theta energy: -25.433
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: 6, replica: 4
=====================================
Write number: 266
Temperature: 1.150000
Total energy: -269.536037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.536037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.536037 (E_RNA)
where:
Base-Base interactions energy: -183.743
where: short stacking energy: -70.827
Base-Backbone interact. energy: -1.336
local terms energy: -84.457448
where:
bonds (distance) C4'-P energy: -16.213
bonds (distance) P-C4' energy: -16.035
flat angles C4'-P-C4' energy: -16.647
flat angles P-C4'-P energy: -11.011
tors. eta vs tors. theta energy: -24.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 266
Temperature: 1.200000
Total energy: -250.091244 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.091244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.091244 (E_RNA)
where:
Base-Base interactions energy: -171.561
where: short stacking energy: -72.815
Base-Backbone interact. energy: -0.065
local terms energy: -78.465304
where:
bonds (distance) C4'-P energy: -15.279
bonds (distance) P-C4' energy: -16.250
flat angles C4'-P-C4' energy: -16.266
flat angles P-C4'-P energy: -6.753
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: 8, replica: 2
=====================================
Write number: 266
Temperature: 1.250000
Total energy: -171.143599 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.143599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.143599 (E_RNA)
where:
Base-Base interactions energy: -115.267
where: short stacking energy: -62.730
Base-Backbone interact. energy: -0.228
local terms energy: -55.648832
where:
bonds (distance) C4'-P energy: -15.020
bonds (distance) P-C4' energy: -5.600
flat angles C4'-P-C4' energy: -11.185
flat angles P-C4'-P energy: -8.375
tors. eta vs tors. theta energy: -15.469
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 266
Temperature: 1.300000
Total energy: -101.467126 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.467126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.467126 (E_RNA)
where:
Base-Base interactions energy: -40.729
where: short stacking energy: -26.716
Base-Backbone interact. energy: -0.158
local terms energy: -60.580102
where:
bonds (distance) C4'-P energy: -14.810
bonds (distance) P-C4' energy: -17.994
flat angles C4'-P-C4' energy: -16.950
flat angles P-C4'-P energy: -8.845
tors. eta vs tors. theta energy: -1.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 266
Temperature: 1.350000
Total energy: -79.587017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.587017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.587017 (E_RNA)
where:
Base-Base interactions energy: -21.804
where: short stacking energy: -21.804
Base-Backbone interact. energy: -0.210
local terms energy: -57.573116
where:
bonds (distance) C4'-P energy: -14.879
bonds (distance) P-C4' energy: -12.645
flat angles C4'-P-C4' energy: -17.405
flat angles P-C4'-P energy: -12.444
tors. eta vs tors. theta energy: -0.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 267
Temperature: 0.900000
Total energy: -296.252162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.252162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.252162 (E_RNA)
where:
Base-Base interactions energy: -206.214
where: short stacking energy: -87.266
Base-Backbone interact. energy: -0.808
local terms energy: -89.230154
where:
bonds (distance) C4'-P energy: -16.529
bonds (distance) P-C4' energy: -16.538
flat angles C4'-P-C4' energy: -17.698
flat angles P-C4'-P energy: -12.295
tors. eta vs tors. theta energy: -26.170
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 267
Temperature: 0.950000
Total energy: -277.292920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.292920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.292920 (E_RNA)
where:
Base-Base interactions energy: -187.784
where: short stacking energy: -73.085
Base-Backbone interact. energy: -0.128
local terms energy: -89.380954
where:
bonds (distance) C4'-P energy: -14.788
bonds (distance) P-C4' energy: -17.308
flat angles C4'-P-C4' energy: -21.338
flat angles P-C4'-P energy: -12.552
tors. eta vs tors. theta energy: -23.394
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 267
Temperature: 1.000000
Total energy: -276.907494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.907494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.907494 (E_RNA)
where:
Base-Base interactions energy: -189.956
where: short stacking energy: -80.226
Base-Backbone interact. energy: -0.001
local terms energy: -86.949590
where:
bonds (distance) C4'-P energy: -15.123
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -20.669
flat angles P-C4'-P energy: -9.209
tors. eta vs tors. theta energy: -24.643
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: 3
=====================================
Write number: 267
Temperature: 1.050000
Total energy: -277.662892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.662892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.662892 (E_RNA)
where:
Base-Base interactions energy: -188.241
where: short stacking energy: -79.758
Base-Backbone interact. energy: -0.015
local terms energy: -89.406504
where:
bonds (distance) C4'-P energy: -17.541
bonds (distance) P-C4' energy: -16.372
flat angles C4'-P-C4' energy: -19.995
flat angles P-C4'-P energy: -13.011
tors. eta vs tors. theta energy: -22.487
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: 5
=====================================
Write number: 267
Temperature: 1.100000
Total energy: -273.110845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.110845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.110845 (E_RNA)
where:
Base-Base interactions energy: -188.445
where: short stacking energy: -78.984
Base-Backbone interact. energy: -0.023
local terms energy: -84.642359
where:
bonds (distance) C4'-P energy: -16.255
bonds (distance) P-C4' energy: -12.085
flat angles C4'-P-C4' energy: -18.438
flat angles P-C4'-P energy: -12.635
tors. eta vs tors. theta energy: -25.230
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 267
Temperature: 1.150000
Total energy: -244.612282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.612282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.612282 (E_RNA)
where:
Base-Base interactions energy: -172.749
where: short stacking energy: -69.082
Base-Backbone interact. energy: -1.029
local terms energy: -70.834232
where:
bonds (distance) C4'-P energy: -15.648
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -14.685
flat angles P-C4'-P energy: -7.946
tors. eta vs tors. theta energy: -17.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 267
Temperature: 1.200000
Total energy: -268.866173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.866173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.866173 (E_RNA)
where:
Base-Base interactions energy: -182.973
where: short stacking energy: -76.820
Base-Backbone interact. energy: -0.556
local terms energy: -85.336381
where:
bonds (distance) C4'-P energy: -16.699
bonds (distance) P-C4' energy: -17.605
flat angles C4'-P-C4' energy: -18.436
flat angles P-C4'-P energy: -9.584
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: 8, replica: 2
=====================================
Write number: 267
Temperature: 1.250000
Total energy: -173.354347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.354347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.354347 (E_RNA)
where:
Base-Base interactions energy: -103.770
where: short stacking energy: -50.742
Base-Backbone interact. energy: -0.341
local terms energy: -69.243386
where:
bonds (distance) C4'-P energy: -18.752
bonds (distance) P-C4' energy: -14.834
flat angles C4'-P-C4' energy: -15.508
flat angles P-C4'-P energy: -10.115
tors. eta vs tors. theta energy: -10.034
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 267
Temperature: 1.300000
Total energy: -92.104138 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.104138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.104138 (E_RNA)
where:
Base-Base interactions energy: -48.154
where: short stacking energy: -31.751
Base-Backbone interact. energy: -0.389
local terms energy: -43.560889
where:
bonds (distance) C4'-P energy: -9.458
bonds (distance) P-C4' energy: -15.281
flat angles C4'-P-C4' energy: -11.191
flat angles P-C4'-P energy: -3.611
tors. eta vs tors. theta energy: -4.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 267
Temperature: 1.350000
Total energy: -90.886303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.886303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.886303 (E_RNA)
where:
Base-Base interactions energy: -40.698
where: short stacking energy: -19.118
Base-Backbone interact. energy: -0.255
local terms energy: -49.933425
where:
bonds (distance) C4'-P energy: -11.630
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -13.145
flat angles P-C4'-P energy: -9.434
tors. eta vs tors. theta energy: -0.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 268
Temperature: 0.900000
Total energy: -293.714740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.714740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.714740 (E_RNA)
where:
Base-Base interactions energy: -198.580
where: short stacking energy: -86.534
Base-Backbone interact. energy: 0.787
local terms energy: -95.921537
where:
bonds (distance) C4'-P energy: -17.819
bonds (distance) P-C4' energy: -18.008
flat angles C4'-P-C4' energy: -19.711
flat angles P-C4'-P energy: -14.087
tors. eta vs tors. theta energy: -26.296
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: 268
Temperature: 0.950000
Total energy: -274.627811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.627811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.627811 (E_RNA)
where:
Base-Base interactions energy: -191.644
where: short stacking energy: -75.648
Base-Backbone interact. energy: -0.009
local terms energy: -82.974162
where:
bonds (distance) C4'-P energy: -18.501
bonds (distance) P-C4' energy: -12.602
flat angles C4'-P-C4' energy: -15.510
flat angles P-C4'-P energy: -14.630
tors. eta vs tors. theta energy: -21.731
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: 268
Temperature: 1.000000
Total energy: -274.702976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.702976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.702976 (E_RNA)
where:
Base-Base interactions energy: -191.966
where: short stacking energy: -82.840
Base-Backbone interact. energy: -1.236
local terms energy: -81.500465
where:
bonds (distance) C4'-P energy: -16.246
bonds (distance) P-C4' energy: -12.313
flat angles C4'-P-C4' energy: -14.732
flat angles P-C4'-P energy: -11.769
tors. eta vs tors. theta energy: -26.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 268
Temperature: 1.050000
Total energy: -278.425794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.425794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.425794 (E_RNA)
where:
Base-Base interactions energy: -189.588
where: short stacking energy: -67.343
Base-Backbone interact. energy: -0.007
local terms energy: -88.830543
where:
bonds (distance) C4'-P energy: -17.585
bonds (distance) P-C4' energy: -16.378
flat angles C4'-P-C4' energy: -20.459
flat angles P-C4'-P energy: -13.792
tors. eta vs tors. theta energy: -20.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 268
Temperature: 1.100000
Total energy: -279.132211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.132211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.132211 (E_RNA)
where:
Base-Base interactions energy: -197.486
where: short stacking energy: -81.296
Base-Backbone interact. energy: -0.121
local terms energy: -81.525397
where:
bonds (distance) C4'-P energy: -17.624
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -16.829
flat angles P-C4'-P energy: -11.361
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: 6, replica: 8
=====================================
Write number: 268
Temperature: 1.150000
Total energy: -251.437930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.437930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.437930 (E_RNA)
where:
Base-Base interactions energy: -171.411
where: short stacking energy: -70.448
Base-Backbone interact. energy: -0.349
local terms energy: -79.677626
where:
bonds (distance) C4'-P energy: -11.718
bonds (distance) P-C4' energy: -20.183
flat angles C4'-P-C4' energy: -17.991
flat angles P-C4'-P energy: -7.484
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: 7, replica: 2
=====================================
Write number: 268
Temperature: 1.200000
Total energy: -165.521389 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.521389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.521389 (E_RNA)
where:
Base-Base interactions energy: -106.488
where: short stacking energy: -41.693
Base-Backbone interact. energy: -0.288
local terms energy: -58.745968
where:
bonds (distance) C4'-P energy: -17.890
bonds (distance) P-C4' energy: -13.747
flat angles C4'-P-C4' energy: -9.368
flat angles P-C4'-P energy: -12.967
tors. eta vs tors. theta energy: -4.775
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 268
Temperature: 1.250000
Total energy: -193.871035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.871035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.871035 (E_RNA)
where:
Base-Base interactions energy: -121.423
where: short stacking energy: -59.434
Base-Backbone interact. energy: -0.037
local terms energy: -72.410694
where:
bonds (distance) C4'-P energy: -13.203
bonds (distance) P-C4' energy: -15.326
flat angles C4'-P-C4' energy: -18.104
flat angles P-C4'-P energy: -8.847
tors. eta vs tors. theta energy: -16.930
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 268
Temperature: 1.300000
Total energy: -91.586086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.586086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.586086 (E_RNA)
where:
Base-Base interactions energy: -46.479
where: short stacking energy: -16.704
Base-Backbone interact. energy: -0.197
local terms energy: -44.909774
where:
bonds (distance) C4'-P energy: -13.511
bonds (distance) P-C4' energy: -10.432
flat angles C4'-P-C4' energy: -16.499
flat angles P-C4'-P energy: -7.428
tors. eta vs tors. theta energy: 2.960
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 268
Temperature: 1.350000
Total energy: -86.759927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.759927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.759927 (E_RNA)
where:
Base-Base interactions energy: -43.156
where: short stacking energy: -16.881
Base-Backbone interact. energy: -0.781
local terms energy: -42.822436
where:
bonds (distance) C4'-P energy: -19.686
bonds (distance) P-C4' energy: -11.665
flat angles C4'-P-C4' energy: -6.486
flat angles P-C4'-P energy: -7.213
tors. eta vs tors. theta energy: 2.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 269
Temperature: 0.900000
Total energy: -290.191181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.191181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.191181 (E_RNA)
where:
Base-Base interactions energy: -205.825
where: short stacking energy: -86.586
Base-Backbone interact. energy: -0.005
local terms energy: -84.361478
where:
bonds (distance) C4'-P energy: -18.449
bonds (distance) P-C4' energy: -11.100
flat angles C4'-P-C4' energy: -15.068
flat angles P-C4'-P energy: -14.401
tors. eta vs tors. theta energy: -25.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 269
Temperature: 0.950000
Total energy: -273.845715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.845715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.845715 (E_RNA)
where:
Base-Base interactions energy: -184.269
where: short stacking energy: -71.720
Base-Backbone interact. energy: -1.102
local terms energy: -88.474541
where:
bonds (distance) C4'-P energy: -13.562
bonds (distance) P-C4' energy: -17.116
flat angles C4'-P-C4' energy: -19.182
flat angles P-C4'-P energy: -17.049
tors. eta vs tors. theta energy: -21.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 269
Temperature: 1.000000
Total energy: -273.955714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.955714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.955714 (E_RNA)
where:
Base-Base interactions energy: -184.516
where: short stacking energy: -73.535
Base-Backbone interact. energy: -0.104
local terms energy: -89.335640
where:
bonds (distance) C4'-P energy: -17.327
bonds (distance) P-C4' energy: -18.660
flat angles C4'-P-C4' energy: -18.175
flat angles P-C4'-P energy: -13.892
tors. eta vs tors. theta energy: -21.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 269
Temperature: 1.050000
Total energy: -267.663430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.663430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.663430 (E_RNA)
where:
Base-Base interactions energy: -186.520
where: short stacking energy: -70.506
Base-Backbone interact. energy: -0.676
local terms energy: -80.468064
where:
bonds (distance) C4'-P energy: -12.297
bonds (distance) P-C4' energy: -16.356
flat angles C4'-P-C4' energy: -12.381
flat angles P-C4'-P energy: -14.663
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: 5, replica: 5
=====================================
Write number: 269
Temperature: 1.100000
Total energy: -260.924194 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.924194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.924194 (E_RNA)
where:
Base-Base interactions energy: -174.987
where: short stacking energy: -79.985
Base-Backbone interact. energy: -0.019
local terms energy: -85.918326
where:
bonds (distance) C4'-P energy: -13.062
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -17.945
flat angles P-C4'-P energy: -13.294
tors. eta vs tors. theta energy: -24.549
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 269
Temperature: 1.150000
Total energy: -270.643220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.643220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.643220 (E_RNA)
where:
Base-Base interactions energy: -185.045
where: short stacking energy: -68.908
Base-Backbone interact. energy: -0.941
local terms energy: -84.657380
where:
bonds (distance) C4'-P energy: -17.183
bonds (distance) P-C4' energy: -17.105
flat angles C4'-P-C4' energy: -16.528
flat angles P-C4'-P energy: -12.172
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: 7, replica: 2
=====================================
Write number: 269
Temperature: 1.200000
Total energy: -183.092492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.092492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.092492 (E_RNA)
where:
Base-Base interactions energy: -114.878
where: short stacking energy: -55.278
Base-Backbone interact. energy: -0.342
local terms energy: -67.872010
where:
bonds (distance) C4'-P energy: -14.541
bonds (distance) P-C4' energy: -14.548
flat angles C4'-P-C4' energy: -15.013
flat angles P-C4'-P energy: -10.885
tors. eta vs tors. theta energy: -12.885
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: 4
=====================================
Write number: 269
Temperature: 1.250000
Total energy: -174.881812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.881812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.881812 (E_RNA)
where:
Base-Base interactions energy: -114.265
where: short stacking energy: -44.251
Base-Backbone interact. energy: -0.116
local terms energy: -60.500467
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -16.281
flat angles C4'-P-C4' energy: -10.089
flat angles P-C4'-P energy: -11.125
tors. eta vs tors. theta energy: -6.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 269
Temperature: 1.300000
Total energy: -103.994504 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.994504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.994504 (E_RNA)
where:
Base-Base interactions energy: -38.145
where: short stacking energy: -28.873
Base-Backbone interact. energy: -0.320
local terms energy: -65.529915
where:
bonds (distance) C4'-P energy: -16.367
bonds (distance) P-C4' energy: -18.738
flat angles C4'-P-C4' energy: -13.939
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: -4.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 269
Temperature: 1.350000
Total energy: -87.903001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.903001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.903001 (E_RNA)
where:
Base-Base interactions energy: -32.203
where: short stacking energy: -16.746
Base-Backbone interact. energy: -0.050
local terms energy: -55.650284
where:
bonds (distance) C4'-P energy: -13.740
bonds (distance) P-C4' energy: -18.207
flat angles C4'-P-C4' energy: -16.059
flat angles P-C4'-P energy: -5.330
tors. eta vs tors. theta energy: -2.313
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 270
Temperature: 0.900000
Total energy: -290.862394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.862394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.862394 (E_RNA)
where:
Base-Base interactions energy: -196.507
where: short stacking energy: -81.812
Base-Backbone interact. energy: -0.032
local terms energy: -94.323464
where:
bonds (distance) C4'-P energy: -16.453
bonds (distance) P-C4' energy: -17.970
flat angles C4'-P-C4' energy: -20.313
flat angles P-C4'-P energy: -15.870
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: 2, replica: 10
=====================================
Write number: 270
Temperature: 0.950000
Total energy: -275.340955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.340955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.340955 (E_RNA)
where:
Base-Base interactions energy: -193.967
where: short stacking energy: -74.227
Base-Backbone interact. energy: -0.174
local terms energy: -81.199961
where:
bonds (distance) C4'-P energy: -13.824
bonds (distance) P-C4' energy: -17.494
flat angles C4'-P-C4' energy: -14.549
flat angles P-C4'-P energy: -12.658
tors. eta vs tors. theta energy: -22.675
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: 3
=====================================
Write number: 270
Temperature: 1.000000
Total energy: -277.673485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.673485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.673485 (E_RNA)
where:
Base-Base interactions energy: -189.794
where: short stacking energy: -73.370
Base-Backbone interact. energy: -0.667
local terms energy: -87.212312
where:
bonds (distance) C4'-P energy: -14.184
bonds (distance) P-C4' energy: -19.625
flat angles C4'-P-C4' energy: -18.023
flat angles P-C4'-P energy: -14.335
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: 4, replica: 6
=====================================
Write number: 270
Temperature: 1.050000
Total energy: -265.538531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.538531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.538531 (E_RNA)
where:
Base-Base interactions energy: -177.800
where: short stacking energy: -72.995
Base-Backbone interact. energy: -0.110
local terms energy: -87.628331
where:
bonds (distance) C4'-P energy: -14.628
bonds (distance) P-C4' energy: -20.697
flat angles C4'-P-C4' energy: -18.460
flat angles P-C4'-P energy: -11.734
tors. eta vs tors. theta energy: -22.110
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 270
Temperature: 1.100000
Total energy: -261.795465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.795465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.795465 (E_RNA)
where:
Base-Base interactions energy: -179.932
where: short stacking energy: -77.814
Base-Backbone interact. energy: -0.195
local terms energy: -81.668136
where:
bonds (distance) C4'-P energy: -16.060
bonds (distance) P-C4' energy: -15.904
flat angles C4'-P-C4' energy: -15.757
flat angles P-C4'-P energy: -12.123
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: 6, replica: 8
=====================================
Write number: 270
Temperature: 1.150000
Total energy: -263.726646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.726646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.726646 (E_RNA)
where:
Base-Base interactions energy: -184.555
where: short stacking energy: -75.457
Base-Backbone interact. energy: -0.021
local terms energy: -79.150708
where:
bonds (distance) C4'-P energy: -17.948
bonds (distance) P-C4' energy: -9.456
flat angles C4'-P-C4' energy: -18.866
flat angles P-C4'-P energy: -6.787
tors. eta vs tors. theta energy: -26.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 270
Temperature: 1.200000
Total energy: -176.530144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.530144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.530144 (E_RNA)
where:
Base-Base interactions energy: -104.417
where: short stacking energy: -44.098
Base-Backbone interact. energy: -0.608
local terms energy: -71.504447
where:
bonds (distance) C4'-P energy: -17.398
bonds (distance) P-C4' energy: -18.480
flat angles C4'-P-C4' energy: -18.630
flat angles P-C4'-P energy: -9.593
tors. eta vs tors. theta energy: -7.405
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: 2
=====================================
Write number: 270
Temperature: 1.250000
Total energy: -180.930228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.930228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.930228 (E_RNA)
where:
Base-Base interactions energy: -120.990
where: short stacking energy: -57.083
Base-Backbone interact. energy: -0.073
local terms energy: -59.867610
where:
bonds (distance) C4'-P energy: -12.707
bonds (distance) P-C4' energy: -10.689
flat angles C4'-P-C4' energy: -14.675
flat angles P-C4'-P energy: -12.372
tors. eta vs tors. theta energy: -9.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 270
Temperature: 1.300000
Total energy: -117.302379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.302379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.302379 (E_RNA)
where:
Base-Base interactions energy: -65.507
where: short stacking energy: -39.791
Base-Backbone interact. energy: -0.437
local terms energy: -51.358401
where:
bonds (distance) C4'-P energy: -14.801
bonds (distance) P-C4' energy: -13.754
flat angles C4'-P-C4' energy: -13.955
flat angles P-C4'-P energy: -6.789
tors. eta vs tors. theta energy: -2.061
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 270
Temperature: 1.350000
Total energy: -78.624905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.624905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.624905 (E_RNA)
where:
Base-Base interactions energy: -32.138
where: short stacking energy: -24.494
Base-Backbone interact. energy: -0.609
local terms energy: -45.877484
where:
bonds (distance) C4'-P energy: -8.087
bonds (distance) P-C4' energy: -17.711
flat angles C4'-P-C4' energy: -10.624
flat angles P-C4'-P energy: -8.558
tors. eta vs tors. theta energy: -0.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 271
Temperature: 0.900000
Total energy: -287.284408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.284408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.284408 (E_RNA)
where:
Base-Base interactions energy: -197.693
where: short stacking energy: -82.578
Base-Backbone interact. energy: -1.451
local terms energy: -88.140722
where:
bonds (distance) C4'-P energy: -15.631
bonds (distance) P-C4' energy: -17.135
flat angles C4'-P-C4' energy: -17.336
flat angles P-C4'-P energy: -11.159
tors. eta vs tors. theta energy: -26.880
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: 271
Temperature: 0.950000
Total energy: -282.823184 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.823184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.823184 (E_RNA)
where:
Base-Base interactions energy: -190.032
where: short stacking energy: -78.813
Base-Backbone interact. energy: -0.061
local terms energy: -92.730067
where:
bonds (distance) C4'-P energy: -17.831
bonds (distance) P-C4' energy: -22.011
flat angles C4'-P-C4' energy: -17.547
flat angles P-C4'-P energy: -11.135
tors. eta vs tors. theta energy: -24.206
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: 10
=====================================
Write number: 271
Temperature: 1.000000
Total energy: -275.992348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.992348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.992348 (E_RNA)
where:
Base-Base interactions energy: -195.511
where: short stacking energy: -80.462
Base-Backbone interact. energy: -0.381
local terms energy: -80.100235
where:
bonds (distance) C4'-P energy: -9.916
bonds (distance) P-C4' energy: -16.824
flat angles C4'-P-C4' energy: -17.151
flat angles P-C4'-P energy: -13.733
tors. eta vs tors. theta energy: -22.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 271
Temperature: 1.050000
Total energy: -271.822030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.822030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.822030 (E_RNA)
where:
Base-Base interactions energy: -188.296
where: short stacking energy: -79.170
Base-Backbone interact. energy: -0.012
local terms energy: -83.513468
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -15.170
flat angles C4'-P-C4' energy: -20.654
flat angles P-C4'-P energy: -12.207
tors. eta vs tors. theta energy: -23.165
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: 5
=====================================
Write number: 271
Temperature: 1.100000
Total energy: -269.709161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.709161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.709161 (E_RNA)
where:
Base-Base interactions energy: -183.573
where: short stacking energy: -74.040
Base-Backbone interact. energy: -0.027
local terms energy: -86.109475
where:
bonds (distance) C4'-P energy: -19.976
bonds (distance) P-C4' energy: -15.120
flat angles C4'-P-C4' energy: -14.845
flat angles P-C4'-P energy: -14.360
tors. eta vs tors. theta energy: -21.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 271
Temperature: 1.150000
Total energy: -269.476489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.476489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.476489 (E_RNA)
where:
Base-Base interactions energy: -181.440
where: short stacking energy: -78.864
Base-Backbone interact. energy: -0.033
local terms energy: -88.002817
where:
bonds (distance) C4'-P energy: -16.739
bonds (distance) P-C4' energy: -18.529
flat angles C4'-P-C4' energy: -16.494
flat angles P-C4'-P energy: -13.462
tors. eta vs tors. theta energy: -22.779
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: 4
=====================================
Write number: 271
Temperature: 1.200000
Total energy: -167.124742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.124742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.124742 (E_RNA)
where:
Base-Base interactions energy: -106.177
where: short stacking energy: -40.570
Base-Backbone interact. energy: -0.443
local terms energy: -60.504839
where:
bonds (distance) C4'-P energy: -12.921
bonds (distance) P-C4' energy: -16.996
flat angles C4'-P-C4' energy: -13.648
flat angles P-C4'-P energy: -10.599
tors. eta vs tors. theta energy: -6.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 271
Temperature: 1.250000
Total energy: -214.446381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.446381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.446381 (E_RNA)
where:
Base-Base interactions energy: -144.605
where: short stacking energy: -61.418
Base-Backbone interact. energy: -0.082
local terms energy: -69.759142
where:
bonds (distance) C4'-P energy: -14.681
bonds (distance) P-C4' energy: -13.032
flat angles C4'-P-C4' energy: -16.683
flat angles P-C4'-P energy: -10.527
tors. eta vs tors. theta energy: -14.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 271
Temperature: 1.300000
Total energy: -92.620489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.620489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.620489 (E_RNA)
where:
Base-Base interactions energy: -47.807
where: short stacking energy: -21.961
Base-Backbone interact. energy: -0.378
local terms energy: -44.435684
where:
bonds (distance) C4'-P energy: -8.726
bonds (distance) P-C4' energy: -15.486
flat angles C4'-P-C4' energy: -14.663
flat angles P-C4'-P energy: -7.849
tors. eta vs tors. theta energy: 2.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 271
Temperature: 1.350000
Total energy: -88.151802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.151802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.151802 (E_RNA)
where:
Base-Base interactions energy: -26.101
where: short stacking energy: -22.073
Base-Backbone interact. energy: -0.319
local terms energy: -61.731943
where:
bonds (distance) C4'-P energy: -15.399
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -12.653
flat angles P-C4'-P energy: -13.615
tors. eta vs tors. theta energy: -3.532
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 272
Temperature: 0.900000
Total energy: -281.803343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.803343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.803343 (E_RNA)
where:
Base-Base interactions energy: -197.940
where: short stacking energy: -79.117
Base-Backbone interact. energy: -0.878
local terms energy: -82.985338
where:
bonds (distance) C4'-P energy: -16.802
bonds (distance) P-C4' energy: -11.124
flat angles C4'-P-C4' energy: -19.840
flat angles P-C4'-P energy: -11.129
tors. eta vs tors. theta energy: -24.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 272
Temperature: 0.950000
Total energy: -286.812180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.812180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.812180 (E_RNA)
where:
Base-Base interactions energy: -190.984
where: short stacking energy: -77.757
Base-Backbone interact. energy: 1.098
local terms energy: -96.926311
where:
bonds (distance) C4'-P energy: -16.461
bonds (distance) P-C4' energy: -18.903
flat angles C4'-P-C4' energy: -22.796
flat angles P-C4'-P energy: -14.158
tors. eta vs tors. theta energy: -24.608
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 272
Temperature: 1.000000
Total energy: -274.508181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.508181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.508181 (E_RNA)
where:
Base-Base interactions energy: -185.862
where: short stacking energy: -73.094
Base-Backbone interact. energy: -0.582
local terms energy: -88.063520
where:
bonds (distance) C4'-P energy: -18.829
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -21.410
flat angles P-C4'-P energy: -12.728
tors. eta vs tors. theta energy: -21.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 272
Temperature: 1.050000
Total energy: -267.305064 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.305064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.305064 (E_RNA)
where:
Base-Base interactions energy: -185.898
where: short stacking energy: -73.499
Base-Backbone interact. energy: 0.019
local terms energy: -81.426015
where:
bonds (distance) C4'-P energy: -14.722
bonds (distance) P-C4' energy: -14.306
flat angles C4'-P-C4' energy: -19.505
flat angles P-C4'-P energy: -12.591
tors. eta vs tors. theta energy: -20.302
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 272
Temperature: 1.100000
Total energy: -268.560457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.560457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.560457 (E_RNA)
where:
Base-Base interactions energy: -179.654
where: short stacking energy: -61.706
Base-Backbone interact. energy: -0.082
local terms energy: -88.824612
where:
bonds (distance) C4'-P energy: -17.206
bonds (distance) P-C4' energy: -17.977
flat angles C4'-P-C4' energy: -19.625
flat angles P-C4'-P energy: -15.364
tors. eta vs tors. theta energy: -18.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 272
Temperature: 1.150000
Total energy: -259.697800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.697800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.697800 (E_RNA)
where:
Base-Base interactions energy: -179.544
where: short stacking energy: -70.724
Base-Backbone interact. energy: -0.356
local terms energy: -79.797703
where:
bonds (distance) C4'-P energy: -13.012
bonds (distance) P-C4' energy: -16.051
flat angles C4'-P-C4' energy: -15.797
flat angles P-C4'-P energy: -14.276
tors. eta vs tors. theta energy: -20.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 272
Temperature: 1.200000
Total energy: -182.360915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.360915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.360915 (E_RNA)
where:
Base-Base interactions energy: -115.788
where: short stacking energy: -41.100
Base-Backbone interact. energy: -1.997
local terms energy: -64.576045
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -14.066
flat angles C4'-P-C4' energy: -18.102
flat angles P-C4'-P energy: -12.293
tors. eta vs tors. theta energy: -5.131
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: 272
Temperature: 1.250000
Total energy: -146.727259 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.727259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.727259 (E_RNA)
where:
Base-Base interactions energy: -93.542
where: short stacking energy: -48.263
Base-Backbone interact. energy: -0.217
local terms energy: -52.968033
where:
bonds (distance) C4'-P energy: -11.007
bonds (distance) P-C4' energy: -9.595
flat angles C4'-P-C4' energy: -14.491
flat angles P-C4'-P energy: -12.853
tors. eta vs tors. theta energy: -5.023
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: 9
=====================================
Write number: 272
Temperature: 1.300000
Total energy: -83.168530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.168530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.168530 (E_RNA)
where:
Base-Base interactions energy: -31.245
where: short stacking energy: -23.106
Base-Backbone interact. energy: 0.049
local terms energy: -51.972610
where:
bonds (distance) C4'-P energy: -16.284
bonds (distance) P-C4' energy: -10.926
flat angles C4'-P-C4' energy: -16.747
flat angles P-C4'-P energy: -10.870
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: 10, replica: 1
=====================================
Write number: 272
Temperature: 1.350000
Total energy: -81.513355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.513355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.513355 (E_RNA)
where:
Base-Base interactions energy: -35.825
where: short stacking energy: -16.891
Base-Backbone interact. energy: 0.378
local terms energy: -46.066039
where:
bonds (distance) C4'-P energy: -12.387
bonds (distance) P-C4' energy: -19.333
flat angles C4'-P-C4' energy: -14.928
flat angles P-C4'-P energy: -0.537
tors. eta vs tors. theta energy: 1.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 273
Temperature: 0.900000
Total energy: -280.367216 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.367216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.367216 (E_RNA)
where:
Base-Base interactions energy: -186.694
where: short stacking energy: -82.625
Base-Backbone interact. energy: -0.002
local terms energy: -93.670555
where:
bonds (distance) C4'-P energy: -16.976
bonds (distance) P-C4' energy: -18.346
flat angles C4'-P-C4' energy: -20.102
flat angles P-C4'-P energy: -13.407
tors. eta vs tors. theta energy: -24.840
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: 2, replica: 7
=====================================
Write number: 273
Temperature: 0.950000
Total energy: -286.796922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.796922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.796922 (E_RNA)
where:
Base-Base interactions energy: -193.124
where: short stacking energy: -78.636
Base-Backbone interact. energy: -1.075
local terms energy: -92.597667
where:
bonds (distance) C4'-P energy: -16.870
bonds (distance) P-C4' energy: -21.557
flat angles C4'-P-C4' energy: -16.126
flat angles P-C4'-P energy: -14.008
tors. eta vs tors. theta energy: -24.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 273
Temperature: 1.000000
Total energy: -279.445387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.445387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.445387 (E_RNA)
where:
Base-Base interactions energy: -189.387
where: short stacking energy: -75.492
Base-Backbone interact. energy: 0.049
local terms energy: -90.107579
where:
bonds (distance) C4'-P energy: -18.839
bonds (distance) P-C4' energy: -15.803
flat angles C4'-P-C4' energy: -19.095
flat angles P-C4'-P energy: -13.443
tors. eta vs tors. theta energy: -22.928
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 273
Temperature: 1.050000
Total energy: -272.079853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.079853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.079853 (E_RNA)
where:
Base-Base interactions energy: -187.207
where: short stacking energy: -65.919
Base-Backbone interact. energy: -0.274
local terms energy: -84.598664
where:
bonds (distance) C4'-P energy: -17.389
bonds (distance) P-C4' energy: -19.163
flat angles C4'-P-C4' energy: -19.833
flat angles P-C4'-P energy: -9.234
tors. eta vs tors. theta energy: -18.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 273
Temperature: 1.100000
Total energy: -260.732726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.732726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.732726 (E_RNA)
where:
Base-Base interactions energy: -178.606
where: short stacking energy: -67.273
Base-Backbone interact. energy: -0.086
local terms energy: -82.041112
where:
bonds (distance) C4'-P energy: -17.284
bonds (distance) P-C4' energy: -19.876
flat angles C4'-P-C4' energy: -17.574
flat angles P-C4'-P energy: -9.363
tors. eta vs tors. theta energy: -17.944
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: 2
=====================================
Write number: 273
Temperature: 1.150000
Total energy: -194.328486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.328486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.328486 (E_RNA)
where:
Base-Base interactions energy: -119.125
where: short stacking energy: -52.456
Base-Backbone interact. energy: -0.476
local terms energy: -74.728111
where:
bonds (distance) C4'-P energy: -11.542
bonds (distance) P-C4' energy: -18.283
flat angles C4'-P-C4' energy: -14.298
flat angles P-C4'-P energy: -13.983
tors. eta vs tors. theta energy: -16.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 273
Temperature: 1.200000
Total energy: -252.304154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.304154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.304154 (E_RNA)
where:
Base-Base interactions energy: -174.211
where: short stacking energy: -66.071
Base-Backbone interact. energy: -0.929
local terms energy: -77.163695
where:
bonds (distance) C4'-P energy: -11.395
bonds (distance) P-C4' energy: -15.923
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -12.741
tors. eta vs tors. theta energy: -20.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 273
Temperature: 1.250000
Total energy: -181.178411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.178411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.178411 (E_RNA)
where:
Base-Base interactions energy: -114.126
where: short stacking energy: -51.396
Base-Backbone interact. energy: -0.054
local terms energy: -66.998581
where:
bonds (distance) C4'-P energy: -11.178
bonds (distance) P-C4' energy: -12.181
flat angles C4'-P-C4' energy: -16.046
flat angles P-C4'-P energy: -9.041
tors. eta vs tors. theta energy: -18.552
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: 9
=====================================
Write number: 273
Temperature: 1.300000
Total energy: -93.693381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.693381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.693381 (E_RNA)
where:
Base-Base interactions energy: -38.160
where: short stacking energy: -28.834
Base-Backbone interact. energy: -0.159
local terms energy: -55.375088
where:
bonds (distance) C4'-P energy: -17.446
bonds (distance) P-C4' energy: -10.715
flat angles C4'-P-C4' energy: -11.917
flat angles P-C4'-P energy: -10.195
tors. eta vs tors. theta energy: -5.102
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: 10, replica: 1
=====================================
Write number: 273
Temperature: 1.350000
Total energy: -90.617008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.617008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.617008 (E_RNA)
where:
Base-Base interactions energy: -44.355
where: short stacking energy: -30.985
Base-Backbone interact. energy: -0.208
local terms energy: -46.054176
where:
bonds (distance) C4'-P energy: -10.214
bonds (distance) P-C4' energy: -14.808
flat angles C4'-P-C4' energy: -10.290
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: -2.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 274
Temperature: 0.900000
Total energy: -280.001810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.001810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.001810 (E_RNA)
where:
Base-Base interactions energy: -198.406
where: short stacking energy: -82.879
Base-Backbone interact. energy: -0.226
local terms energy: -81.370062
where:
bonds (distance) C4'-P energy: -17.207
bonds (distance) P-C4' energy: -18.938
flat angles C4'-P-C4' energy: -12.621
flat angles P-C4'-P energy: -8.611
tors. eta vs tors. theta energy: -23.994
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: 3
=====================================
Write number: 274
Temperature: 0.950000
Total energy: -288.461230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.461230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.461230 (E_RNA)
where:
Base-Base interactions energy: -189.977
where: short stacking energy: -81.971
Base-Backbone interact. energy: -0.799
local terms energy: -97.685255
where:
bonds (distance) C4'-P energy: -19.323
bonds (distance) P-C4' energy: -20.810
flat angles C4'-P-C4' energy: -18.346
flat angles P-C4'-P energy: -14.387
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: 6
=====================================
Write number: 274
Temperature: 1.000000
Total energy: -281.773574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.773574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.773574 (E_RNA)
where:
Base-Base interactions energy: -192.673
where: short stacking energy: -74.170
Base-Backbone interact. energy: -0.731
local terms energy: -88.369142
where:
bonds (distance) C4'-P energy: -14.354
bonds (distance) P-C4' energy: -19.016
flat angles C4'-P-C4' energy: -18.027
flat angles P-C4'-P energy: -11.257
tors. eta vs tors. theta energy: -25.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 274
Temperature: 1.050000
Total energy: -267.007934 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.007934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.007934 (E_RNA)
where:
Base-Base interactions energy: -184.046
where: short stacking energy: -73.917
Base-Backbone interact. energy: -0.100
local terms energy: -82.861817
where:
bonds (distance) C4'-P energy: -13.830
bonds (distance) P-C4' energy: -16.135
flat angles C4'-P-C4' energy: -16.276
flat angles P-C4'-P energy: -12.643
tors. eta vs tors. theta energy: -23.978
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: 10
=====================================
Write number: 274
Temperature: 1.100000
Total energy: -261.887451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.887451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.887451 (E_RNA)
where:
Base-Base interactions energy: -189.361
where: short stacking energy: -75.266
Base-Backbone interact. energy: -0.107
local terms energy: -72.419391
where:
bonds (distance) C4'-P energy: -5.533
bonds (distance) P-C4' energy: -18.173
flat angles C4'-P-C4' energy: -15.407
flat angles P-C4'-P energy: -10.809
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: 6, replica: 2
=====================================
Write number: 274
Temperature: 1.150000
Total energy: -195.885740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.885740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.885740 (E_RNA)
where:
Base-Base interactions energy: -122.196
where: short stacking energy: -59.281
Base-Backbone interact. energy: -0.230
local terms energy: -73.459256
where:
bonds (distance) C4'-P energy: -14.603
bonds (distance) P-C4' energy: -13.251
flat angles C4'-P-C4' energy: -16.776
flat angles P-C4'-P energy: -14.926
tors. eta vs tors. theta energy: -13.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 274
Temperature: 1.200000
Total energy: -267.960814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.960814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.960814 (E_RNA)
where:
Base-Base interactions energy: -178.814
where: short stacking energy: -75.975
Base-Backbone interact. energy: -0.708
local terms energy: -88.438473
where:
bonds (distance) C4'-P energy: -19.240
bonds (distance) P-C4' energy: -16.563
flat angles C4'-P-C4' energy: -19.705
flat angles P-C4'-P energy: -9.788
tors. eta vs tors. theta energy: -23.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 274
Temperature: 1.250000
Total energy: -179.503219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.503219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.503219 (E_RNA)
where:
Base-Base interactions energy: -105.115
where: short stacking energy: -48.850
Base-Backbone interact. energy: -0.360
local terms energy: -74.027999
where:
bonds (distance) C4'-P energy: -16.504
bonds (distance) P-C4' energy: -20.215
flat angles C4'-P-C4' energy: -18.558
flat angles P-C4'-P energy: -10.133
tors. eta vs tors. theta energy: -8.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 274
Temperature: 1.300000
Total energy: -84.877618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.877618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.877618 (E_RNA)
where:
Base-Base interactions energy: -23.950
where: short stacking energy: -20.843
Base-Backbone interact. energy: -0.200
local terms energy: -60.727818
where:
bonds (distance) C4'-P energy: -13.779
bonds (distance) P-C4' energy: -18.431
flat angles C4'-P-C4' energy: -13.816
flat angles P-C4'-P energy: -12.702
tors. eta vs tors. theta energy: -2.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 274
Temperature: 1.350000
Total energy: -94.133645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.133645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.133645 (E_RNA)
where:
Base-Base interactions energy: -35.736
where: short stacking energy: -35.936
Base-Backbone interact. energy: -0.010
local terms energy: -58.387976
where:
bonds (distance) C4'-P energy: -16.444
bonds (distance) P-C4' energy: -14.344
flat angles C4'-P-C4' energy: -13.965
flat angles P-C4'-P energy: -6.662
tors. eta vs tors. theta energy: -6.973
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 275
Temperature: 0.900000
Total energy: -288.867069 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.867069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.867069 (E_RNA)
where:
Base-Base interactions energy: -202.488
where: short stacking energy: -82.524
Base-Backbone interact. energy: 0.460
local terms energy: -86.839241
where:
bonds (distance) C4'-P energy: -14.366
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -18.091
flat angles P-C4'-P energy: -13.737
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: 2, replica: 6
=====================================
Write number: 275
Temperature: 0.950000
Total energy: -284.212786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.212786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.212786 (E_RNA)
where:
Base-Base interactions energy: -193.698
where: short stacking energy: -80.843
Base-Backbone interact. energy: -1.127
local terms energy: -89.387298
where:
bonds (distance) C4'-P energy: -16.718
bonds (distance) P-C4' energy: -16.670
flat angles C4'-P-C4' energy: -17.209
flat angles P-C4'-P energy: -14.737
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: 3, replica: 3
=====================================
Write number: 275
Temperature: 1.000000
Total energy: -283.003986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.003986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.003986 (E_RNA)
where:
Base-Base interactions energy: -197.130
where: short stacking energy: -77.507
Base-Backbone interact. energy: -0.049
local terms energy: -85.824776
where:
bonds (distance) C4'-P energy: -16.382
bonds (distance) P-C4' energy: -18.422
flat angles C4'-P-C4' energy: -16.331
flat angles P-C4'-P energy: -13.743
tors. eta vs tors. theta energy: -20.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 275
Temperature: 1.050000
Total energy: -252.814065 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.814065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.814065 (E_RNA)
where:
Base-Base interactions energy: -172.796
where: short stacking energy: -74.717
Base-Backbone interact. energy: -0.362
local terms energy: -79.656168
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -14.685
flat angles C4'-P-C4' energy: -15.443
flat angles P-C4'-P energy: -13.106
tors. eta vs tors. theta energy: -21.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 275
Temperature: 1.100000
Total energy: -265.108085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.108085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.108085 (E_RNA)
where:
Base-Base interactions energy: -179.293
where: short stacking energy: -75.007
Base-Backbone interact. energy: -1.300
local terms energy: -84.514489
where:
bonds (distance) C4'-P energy: -17.812
bonds (distance) P-C4' energy: -18.079
flat angles C4'-P-C4' energy: -16.630
flat angles P-C4'-P energy: -8.224
tors. eta vs tors. theta energy: -23.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 275
Temperature: 1.150000
Total energy: -265.839760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.839760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.839760 (E_RNA)
where:
Base-Base interactions energy: -167.504
where: short stacking energy: -65.596
Base-Backbone interact. energy: -0.485
local terms energy: -97.850923
where:
bonds (distance) C4'-P energy: -19.083
bonds (distance) P-C4' energy: -19.939
flat angles C4'-P-C4' energy: -20.215
flat angles P-C4'-P energy: -12.320
tors. eta vs tors. theta energy: -26.293
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: 2
=====================================
Write number: 275
Temperature: 1.200000
Total energy: -182.863755 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.863755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.863755 (E_RNA)
where:
Base-Base interactions energy: -117.326
where: short stacking energy: -47.835
Base-Backbone interact. energy: 0.279
local terms energy: -65.817465
where:
bonds (distance) C4'-P energy: -13.632
bonds (distance) P-C4' energy: -17.410
flat angles C4'-P-C4' energy: -19.559
flat angles P-C4'-P energy: -7.717
tors. eta vs tors. theta energy: -7.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 275
Temperature: 1.250000
Total energy: -179.642739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.642739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.642739 (E_RNA)
where:
Base-Base interactions energy: -117.061
where: short stacking energy: -52.882
Base-Backbone interact. energy: -0.574
local terms energy: -62.006864
where:
bonds (distance) C4'-P energy: -12.609
bonds (distance) P-C4' energy: -13.938
flat angles C4'-P-C4' energy: -18.867
flat angles P-C4'-P energy: -5.309
tors. eta vs tors. theta energy: -11.284
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: 1
=====================================
Write number: 275
Temperature: 1.300000
Total energy: -88.988037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.988037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.988037 (E_RNA)
where:
Base-Base interactions energy: -37.625
where: short stacking energy: -31.720
Base-Backbone interact. energy: -0.187
local terms energy: -51.176240
where:
bonds (distance) C4'-P energy: -15.132
bonds (distance) P-C4' energy: -15.748
flat angles C4'-P-C4' energy: -12.522
flat angles P-C4'-P energy: -12.444
tors. eta vs tors. theta energy: 4.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 275
Temperature: 1.350000
Total energy: -91.326009 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.326009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.326009 (E_RNA)
where:
Base-Base interactions energy: -40.922
where: short stacking energy: -32.635
Base-Backbone interact. energy: -0.295
local terms energy: -50.108396
where:
bonds (distance) C4'-P energy: -9.056
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -12.998
flat angles P-C4'-P energy: -2.505
tors. eta vs tors. theta energy: -8.273
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: 7
=====================================
Write number: 276
Temperature: 0.900000
Total energy: -293.536812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.536812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.536812 (E_RNA)
where:
Base-Base interactions energy: -193.677
where: short stacking energy: -74.413
Base-Backbone interact. energy: -1.767
local terms energy: -98.093509
where:
bonds (distance) C4'-P energy: -19.441
bonds (distance) P-C4' energy: -20.268
flat angles C4'-P-C4' energy: -16.843
flat angles P-C4'-P energy: -15.176
tors. eta vs tors. theta energy: -26.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 276
Temperature: 0.950000
Total energy: -287.612162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.612162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.612162 (E_RNA)
where:
Base-Base interactions energy: -194.129
where: short stacking energy: -73.329
Base-Backbone interact. energy: -0.634
local terms energy: -92.849160
where:
bonds (distance) C4'-P energy: -17.410
bonds (distance) P-C4' energy: -18.439
flat angles C4'-P-C4' energy: -18.534
flat angles P-C4'-P energy: -15.240
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: 3
=====================================
Write number: 276
Temperature: 1.000000
Total energy: -273.686329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.686329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.686329 (E_RNA)
where:
Base-Base interactions energy: -184.093
where: short stacking energy: -74.356
Base-Backbone interact. energy: -0.591
local terms energy: -89.001855
where:
bonds (distance) C4'-P energy: -19.906
bonds (distance) P-C4' energy: -19.488
flat angles C4'-P-C4' energy: -19.072
flat angles P-C4'-P energy: -7.059
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: 4, replica: 10
=====================================
Write number: 276
Temperature: 1.050000
Total energy: -256.473759 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.473759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.473759 (E_RNA)
where:
Base-Base interactions energy: -172.734
where: short stacking energy: -62.056
Base-Backbone interact. energy: -0.749
local terms energy: -82.990493
where:
bonds (distance) C4'-P energy: -15.530
bonds (distance) P-C4' energy: -17.160
flat angles C4'-P-C4' energy: -16.666
flat angles P-C4'-P energy: -12.116
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: 5, replica: 8
=====================================
Write number: 276
Temperature: 1.100000
Total energy: -267.754122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.754122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.754122 (E_RNA)
where:
Base-Base interactions energy: -178.315
where: short stacking energy: -70.224
Base-Backbone interact. energy: 1.256
local terms energy: -90.694722
where:
bonds (distance) C4'-P energy: -17.235
bonds (distance) P-C4' energy: -17.208
flat angles C4'-P-C4' energy: -19.455
flat angles P-C4'-P energy: -14.801
tors. eta vs tors. theta energy: -21.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 276
Temperature: 1.150000
Total energy: -243.280979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.280979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.280979 (E_RNA)
where:
Base-Base interactions energy: -161.810
where: short stacking energy: -68.729
Base-Backbone interact. energy: -0.815
local terms energy: -80.655445
where:
bonds (distance) C4'-P energy: -13.041
bonds (distance) P-C4' energy: -19.357
flat angles C4'-P-C4' energy: -15.127
flat angles P-C4'-P energy: -10.316
tors. eta vs tors. theta energy: -22.815
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: 4
=====================================
Write number: 276
Temperature: 1.200000
Total energy: -187.663630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.663630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.663630 (E_RNA)
where:
Base-Base interactions energy: -117.216
where: short stacking energy: -47.707
Base-Backbone interact. energy: -0.616
local terms energy: -69.831359
where:
bonds (distance) C4'-P energy: -16.391
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -12.114
flat angles P-C4'-P energy: -14.669
tors. eta vs tors. theta energy: -9.342
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 276
Temperature: 1.250000
Total energy: -167.600437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.600437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.600437 (E_RNA)
where:
Base-Base interactions energy: -104.865
where: short stacking energy: -43.327
Base-Backbone interact. energy: -0.617
local terms energy: -62.118407
where:
bonds (distance) C4'-P energy: -17.612
bonds (distance) P-C4' energy: -15.821
flat angles C4'-P-C4' energy: -19.439
flat angles P-C4'-P energy: -3.786
tors. eta vs tors. theta energy: -5.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 276
Temperature: 1.300000
Total energy: -88.066202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.066202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.066202 (E_RNA)
where:
Base-Base interactions energy: -38.700
where: short stacking energy: -17.911
Base-Backbone interact. energy: -0.204
local terms energy: -49.162777
where:
bonds (distance) C4'-P energy: -12.753
bonds (distance) P-C4' energy: -10.822
flat angles C4'-P-C4' energy: -11.434
flat angles P-C4'-P energy: -14.867
tors. eta vs tors. theta energy: 0.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 276
Temperature: 1.350000
Total energy: -92.873457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.873457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.873457 (E_RNA)
where:
Base-Base interactions energy: -44.959
where: short stacking energy: -31.563
Base-Backbone interact. energy: -0.805
local terms energy: -47.109678
where:
bonds (distance) C4'-P energy: -16.681
bonds (distance) P-C4' energy: -7.811
flat angles C4'-P-C4' energy: -16.816
flat angles P-C4'-P energy: -3.698
tors. eta vs tors. theta energy: -2.102
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 277
Temperature: 0.900000
Total energy: -294.944791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.944791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.944791 (E_RNA)
where:
Base-Base interactions energy: -197.560
where: short stacking energy: -74.148
Base-Backbone interact. energy: -1.025
local terms energy: -96.359270
where:
bonds (distance) C4'-P energy: -16.158
bonds (distance) P-C4' energy: -18.700
flat angles C4'-P-C4' energy: -20.275
flat angles P-C4'-P energy: -14.697
tors. eta vs tors. theta energy: -26.529
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 277
Temperature: 0.950000
Total energy: -285.988890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.988890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.988890 (E_RNA)
where:
Base-Base interactions energy: -191.540
where: short stacking energy: -78.017
Base-Backbone interact. energy: -0.901
local terms energy: -93.548087
where:
bonds (distance) C4'-P energy: -18.377
bonds (distance) P-C4' energy: -18.030
flat angles C4'-P-C4' energy: -15.567
flat angles P-C4'-P energy: -14.955
tors. eta vs tors. theta energy: -26.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 277
Temperature: 1.000000
Total energy: -280.554110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.554110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.554110 (E_RNA)
where:
Base-Base interactions energy: -189.318
where: short stacking energy: -80.819
Base-Backbone interact. energy: -0.730
local terms energy: -90.506084
where:
bonds (distance) C4'-P energy: -13.729
bonds (distance) P-C4' energy: -18.089
flat angles C4'-P-C4' energy: -18.763
flat angles P-C4'-P energy: -13.727
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: 4, replica: 8
=====================================
Write number: 277
Temperature: 1.050000
Total energy: -281.207639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.207639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.207639 (E_RNA)
where:
Base-Base interactions energy: -194.070
where: short stacking energy: -86.161
Base-Backbone interact. energy: -0.010
local terms energy: -87.127059
where:
bonds (distance) C4'-P energy: -7.475
bonds (distance) P-C4' energy: -18.126
flat angles C4'-P-C4' energy: -20.681
flat angles P-C4'-P energy: -14.638
tors. eta vs tors. theta energy: -26.207
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: 277
Temperature: 1.100000
Total energy: -259.904920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.904920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.904920 (E_RNA)
where:
Base-Base interactions energy: -169.049
where: short stacking energy: -70.590
Base-Backbone interact. energy: -0.989
local terms energy: -89.867222
where:
bonds (distance) C4'-P energy: -18.477
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -19.264
flat angles P-C4'-P energy: -13.420
tors. eta vs tors. theta energy: -20.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 277
Temperature: 1.150000
Total energy: -239.450947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.450947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.450947 (E_RNA)
where:
Base-Base interactions energy: -162.905
where: short stacking energy: -66.764
Base-Backbone interact. energy: -0.957
local terms energy: -75.589007
where:
bonds (distance) C4'-P energy: -17.111
bonds (distance) P-C4' energy: -17.744
flat angles C4'-P-C4' energy: -12.435
flat angles P-C4'-P energy: -9.649
tors. eta vs tors. theta energy: -18.650
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: 4
=====================================
Write number: 277
Temperature: 1.200000
Total energy: -197.902550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.902550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.902550 (E_RNA)
where:
Base-Base interactions energy: -125.838
where: short stacking energy: -50.117
Base-Backbone interact. energy: 0.059
local terms energy: -72.122841
where:
bonds (distance) C4'-P energy: -18.646
bonds (distance) P-C4' energy: -12.672
flat angles C4'-P-C4' energy: -16.468
flat angles P-C4'-P energy: -11.328
tors. eta vs tors. theta energy: -13.009
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: 2
=====================================
Write number: 277
Temperature: 1.250000
Total energy: -158.294306 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.294306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.294306 (E_RNA)
where:
Base-Base interactions energy: -105.406
where: short stacking energy: -37.853
Base-Backbone interact. energy: -0.116
local terms energy: -52.771770
where:
bonds (distance) C4'-P energy: -18.175
bonds (distance) P-C4' energy: -15.920
flat angles C4'-P-C4' energy: -9.043
flat angles P-C4'-P energy: -5.501
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: 9, replica: 9
=====================================
Write number: 277
Temperature: 1.300000
Total energy: -86.905761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.905761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.905761 (E_RNA)
where:
Base-Base interactions energy: -31.347
where: short stacking energy: -17.630
Base-Backbone interact. energy: -0.348
local terms energy: -55.210758
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -14.097
flat angles C4'-P-C4' energy: -19.571
flat angles P-C4'-P energy: -6.784
tors. eta vs tors. theta energy: 1.186
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 277
Temperature: 1.350000
Total energy: -78.713179 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.713179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.713179 (E_RNA)
where:
Base-Base interactions energy: -33.687
where: short stacking energy: -19.247
Base-Backbone interact. energy: -0.603
local terms energy: -44.423242
where:
bonds (distance) C4'-P energy: -15.042
bonds (distance) P-C4' energy: -16.887
flat angles C4'-P-C4' energy: -15.701
flat angles P-C4'-P energy: 0.577
tors. eta vs tors. theta energy: 2.630
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: 3
=====================================
Write number: 278
Temperature: 0.900000
Total energy: -290.082748 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.082748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.082748 (E_RNA)
where:
Base-Base interactions energy: -190.962
where: short stacking energy: -80.272
Base-Backbone interact. energy: -0.696
local terms energy: -98.424490
where:
bonds (distance) C4'-P energy: -19.541
bonds (distance) P-C4' energy: -16.700
flat angles C4'-P-C4' energy: -20.424
flat angles P-C4'-P energy: -15.558
tors. eta vs tors. theta energy: -26.202
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 278
Temperature: 0.950000
Total energy: -288.275564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.275564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.275564 (E_RNA)
where:
Base-Base interactions energy: -193.907
where: short stacking energy: -78.082
Base-Backbone interact. energy: -0.492
local terms energy: -93.875582
where:
bonds (distance) C4'-P energy: -17.861
bonds (distance) P-C4' energy: -16.792
flat angles C4'-P-C4' energy: -19.693
flat angles P-C4'-P energy: -13.651
tors. eta vs tors. theta energy: -25.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 278
Temperature: 1.000000
Total energy: -271.503856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.503856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.503856 (E_RNA)
where:
Base-Base interactions energy: -188.135
where: short stacking energy: -78.208
Base-Backbone interact. energy: -0.003
local terms energy: -83.365894
where:
bonds (distance) C4'-P energy: -11.489
bonds (distance) P-C4' energy: -14.866
flat angles C4'-P-C4' energy: -17.408
flat angles P-C4'-P energy: -16.702
tors. eta vs tors. theta energy: -22.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 278
Temperature: 1.050000
Total energy: -279.888479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.888479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.888479 (E_RNA)
where:
Base-Base interactions energy: -185.696
where: short stacking energy: -77.613
Base-Backbone interact. energy: -0.004
local terms energy: -94.188768
where:
bonds (distance) C4'-P energy: -18.834
bonds (distance) P-C4' energy: -17.968
flat angles C4'-P-C4' energy: -19.046
flat angles P-C4'-P energy: -10.903
tors. eta vs tors. theta energy: -27.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 278
Temperature: 1.100000
Total energy: -265.564125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.564125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.564125 (E_RNA)
where:
Base-Base interactions energy: -183.570
where: short stacking energy: -74.852
Base-Backbone interact. energy: -0.283
local terms energy: -81.710879
where:
bonds (distance) C4'-P energy: -12.669
bonds (distance) P-C4' energy: -17.096
flat angles C4'-P-C4' energy: -16.498
flat angles P-C4'-P energy: -11.505
tors. eta vs tors. theta energy: -23.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 278
Temperature: 1.150000
Total energy: -262.013120 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.013120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.013120 (E_RNA)
where:
Base-Base interactions energy: -176.189
where: short stacking energy: -69.966
Base-Backbone interact. energy: -0.248
local terms energy: -85.575977
where:
bonds (distance) C4'-P energy: -13.713
bonds (distance) P-C4' energy: -13.667
flat angles C4'-P-C4' energy: -20.500
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: -26.483
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: 4
=====================================
Write number: 278
Temperature: 1.200000
Total energy: -200.506204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.506204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.506204 (E_RNA)
where:
Base-Base interactions energy: -132.652
where: short stacking energy: -56.549
Base-Backbone interact. energy: -0.168
local terms energy: -67.687006
where:
bonds (distance) C4'-P energy: -12.330
bonds (distance) P-C4' energy: -14.514
flat angles C4'-P-C4' energy: -13.505
flat angles P-C4'-P energy: -10.113
tors. eta vs tors. theta energy: -17.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 278
Temperature: 1.250000
Total energy: -164.708670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.708670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.708670 (E_RNA)
where:
Base-Base interactions energy: -102.936
where: short stacking energy: -37.620
Base-Backbone interact. energy: -2.203
local terms energy: -59.570141
where:
bonds (distance) C4'-P energy: -7.611
bonds (distance) P-C4' energy: -19.237
flat angles C4'-P-C4' energy: -15.356
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -8.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 278
Temperature: 1.300000
Total energy: -91.114547 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.114547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.114547 (E_RNA)
where:
Base-Base interactions energy: -34.351
where: short stacking energy: -26.725
Base-Backbone interact. energy: -0.315
local terms energy: -56.448686
where:
bonds (distance) C4'-P energy: -12.794
bonds (distance) P-C4' energy: -11.446
flat angles C4'-P-C4' energy: -18.114
flat angles P-C4'-P energy: -12.783
tors. eta vs tors. theta energy: -1.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 278
Temperature: 1.350000
Total energy: -83.962451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.962451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.962451 (E_RNA)
where:
Base-Base interactions energy: -35.212
where: short stacking energy: -30.713
Base-Backbone interact. energy: -0.631
local terms energy: -48.119336
where:
bonds (distance) C4'-P energy: -9.511
bonds (distance) P-C4' energy: -13.319
flat angles C4'-P-C4' energy: -12.431
flat angles P-C4'-P energy: -13.529
tors. eta vs tors. theta energy: 0.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 279
Temperature: 0.900000
Total energy: -286.850010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.850010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.850010 (E_RNA)
where:
Base-Base interactions energy: -190.611
where: short stacking energy: -84.244
Base-Backbone interact. energy: 0.836
local terms energy: -97.075458
where:
bonds (distance) C4'-P energy: -18.617
bonds (distance) P-C4' energy: -22.706
flat angles C4'-P-C4' energy: -15.940
flat angles P-C4'-P energy: -13.590
tors. eta vs tors. theta energy: -26.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 279
Temperature: 0.950000
Total energy: -278.076853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.076853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.076853 (E_RNA)
where:
Base-Base interactions energy: -192.701
where: short stacking energy: -76.765
Base-Backbone interact. energy: -1.075
local terms energy: -84.300848
where:
bonds (distance) C4'-P energy: -17.450
bonds (distance) P-C4' energy: -18.128
flat angles C4'-P-C4' energy: -16.706
flat angles P-C4'-P energy: -10.288
tors. eta vs tors. theta energy: -21.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 279
Temperature: 1.000000
Total energy: -280.153810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.153810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.153810 (E_RNA)
where:
Base-Base interactions energy: -189.405
where: short stacking energy: -81.731
Base-Backbone interact. energy: -0.002
local terms energy: -90.746605
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -18.389
flat angles C4'-P-C4' energy: -21.258
flat angles P-C4'-P energy: -11.453
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: 5
=====================================
Write number: 279
Temperature: 1.050000
Total energy: -271.528590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.528590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.528590 (E_RNA)
where:
Base-Base interactions energy: -192.022
where: short stacking energy: -72.036
Base-Backbone interact. energy: -0.199
local terms energy: -79.308028
where:
bonds (distance) C4'-P energy: -16.416
bonds (distance) P-C4' energy: -12.895
flat angles C4'-P-C4' energy: -14.077
flat angles P-C4'-P energy: -10.922
tors. eta vs tors. theta energy: -24.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 279
Temperature: 1.100000
Total energy: -266.591760 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.591760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.591760 (E_RNA)
where:
Base-Base interactions energy: -180.716
where: short stacking energy: -73.836
Base-Backbone interact. energy: -0.329
local terms energy: -85.546699
where:
bonds (distance) C4'-P energy: -16.254
bonds (distance) P-C4' energy: -18.382
flat angles C4'-P-C4' energy: -13.660
flat angles P-C4'-P energy: -13.975
tors. eta vs tors. theta energy: -23.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 279
Temperature: 1.150000
Total energy: -265.241720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.241720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.241720 (E_RNA)
where:
Base-Base interactions energy: -181.613
where: short stacking energy: -79.562
Base-Backbone interact. energy: -0.436
local terms energy: -83.192894
where:
bonds (distance) C4'-P energy: -16.498
bonds (distance) P-C4' energy: -12.399
flat angles C4'-P-C4' energy: -18.851
flat angles P-C4'-P energy: -7.032
tors. eta vs tors. theta energy: -28.414
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 279
Temperature: 1.200000
Total energy: -196.116772 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.116772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.116772 (E_RNA)
where:
Base-Base interactions energy: -126.062
where: short stacking energy: -56.390
Base-Backbone interact. energy: -0.952
local terms energy: -69.102479
where:
bonds (distance) C4'-P energy: -12.732
bonds (distance) P-C4' energy: -12.407
flat angles C4'-P-C4' energy: -20.115
flat angles P-C4'-P energy: -9.016
tors. eta vs tors. theta energy: -14.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 279
Temperature: 1.250000
Total energy: -101.207038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.207038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.207038 (E_RNA)
where:
Base-Base interactions energy: -43.126
where: short stacking energy: -34.869
Base-Backbone interact. energy: -0.036
local terms energy: -58.045255
where:
bonds (distance) C4'-P energy: -13.493
bonds (distance) P-C4' energy: -16.384
flat angles C4'-P-C4' energy: -13.104
flat angles P-C4'-P energy: -12.399
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: 2
=====================================
Write number: 279
Temperature: 1.300000
Total energy: -133.127254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.127254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.127254 (E_RNA)
where:
Base-Base interactions energy: -75.210
where: short stacking energy: -31.738
Base-Backbone interact. energy: -0.139
local terms energy: -57.778016
where:
bonds (distance) C4'-P energy: -18.271
bonds (distance) P-C4' energy: -11.055
flat angles C4'-P-C4' energy: -10.155
flat angles P-C4'-P energy: -12.114
tors. eta vs tors. theta energy: -6.184
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: 9
=====================================
Write number: 279
Temperature: 1.350000
Total energy: -88.814648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.814648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.814648 (E_RNA)
where:
Base-Base interactions energy: -29.578
where: short stacking energy: -25.391
Base-Backbone interact. energy: -0.282
local terms energy: -58.954777
where:
bonds (distance) C4'-P energy: -15.443
bonds (distance) P-C4' energy: -16.866
flat angles C4'-P-C4' energy: -11.635
flat angles P-C4'-P energy: -9.994
tors. eta vs tors. theta energy: -5.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 280
Temperature: 0.900000
Total energy: -287.476307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.476307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.476307 (E_RNA)
where:
Base-Base interactions energy: -197.354
where: short stacking energy: -77.445
Base-Backbone interact. energy: -0.098
local terms energy: -90.025184
where:
bonds (distance) C4'-P energy: -15.443
bonds (distance) P-C4' energy: -17.736
flat angles C4'-P-C4' energy: -20.961
flat angles P-C4'-P energy: -13.312
tors. eta vs tors. theta energy: -22.574
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: 280
Temperature: 0.950000
Total energy: -285.538413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.538413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.538413 (E_RNA)
where:
Base-Base interactions energy: -192.597
where: short stacking energy: -82.338
Base-Backbone interact. energy: -0.000
local terms energy: -92.941355
where:
bonds (distance) C4'-P energy: -16.595
bonds (distance) P-C4' energy: -20.816
flat angles C4'-P-C4' energy: -20.716
flat angles P-C4'-P energy: -8.980
tors. eta vs tors. theta energy: -25.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 280
Temperature: 1.000000
Total energy: -276.045186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.045186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.045186 (E_RNA)
where:
Base-Base interactions energy: -189.372
where: short stacking energy: -73.849
Base-Backbone interact. energy: -0.169
local terms energy: -86.504109
where:
bonds (distance) C4'-P energy: -20.208
bonds (distance) P-C4' energy: -17.301
flat angles C4'-P-C4' energy: -17.383
flat angles P-C4'-P energy: -12.028
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: 4, replica: 7
=====================================
Write number: 280
Temperature: 1.050000
Total energy: -278.354183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.354183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.354183 (E_RNA)
where:
Base-Base interactions energy: -196.631
where: short stacking energy: -74.626
Base-Backbone interact. energy: -0.834
local terms energy: -80.889600
where:
bonds (distance) C4'-P energy: -15.063
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -17.151
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -21.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 280
Temperature: 1.100000
Total energy: -260.767929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.767929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.767929 (E_RNA)
where:
Base-Base interactions energy: -180.631
where: short stacking energy: -78.985
Base-Backbone interact. energy: -0.075
local terms energy: -80.062025
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -17.849
flat angles C4'-P-C4' energy: -14.503
flat angles P-C4'-P energy: -12.511
tors. eta vs tors. theta energy: -21.949
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 280
Temperature: 1.150000
Total energy: -266.056452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.056452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.056452 (E_RNA)
where:
Base-Base interactions energy: -185.425
where: short stacking energy: -74.319
Base-Backbone interact. energy: -0.085
local terms energy: -80.546996
where:
bonds (distance) C4'-P energy: -17.244
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -19.611
flat angles P-C4'-P energy: -10.882
tors. eta vs tors. theta energy: -17.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 280
Temperature: 1.200000
Total energy: -203.896068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.896068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.896068 (E_RNA)
where:
Base-Base interactions energy: -131.334
where: short stacking energy: -53.134
Base-Backbone interact. energy: -2.114
local terms energy: -70.448413
where:
bonds (distance) C4'-P energy: -18.067
bonds (distance) P-C4' energy: -15.831
flat angles C4'-P-C4' energy: -11.384
flat angles P-C4'-P energy: -6.155
tors. eta vs tors. theta energy: -19.012
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: 280
Temperature: 1.250000
Total energy: -103.136877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.136877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.136877 (E_RNA)
where:
Base-Base interactions energy: -40.276
where: short stacking energy: -37.260
Base-Backbone interact. energy: -0.852
local terms energy: -62.009187
where:
bonds (distance) C4'-P energy: -17.111
bonds (distance) P-C4' energy: -17.124
flat angles C4'-P-C4' energy: -11.967
flat angles P-C4'-P energy: -14.224
tors. eta vs tors. theta energy: -1.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 280
Temperature: 1.300000
Total energy: -99.875974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.875974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.875974 (E_RNA)
where:
Base-Base interactions energy: -41.421
where: short stacking energy: -31.330
Base-Backbone interact. energy: -0.270
local terms energy: -58.185356
where:
bonds (distance) C4'-P energy: -11.062
bonds (distance) P-C4' energy: -12.916
flat angles C4'-P-C4' energy: -15.846
flat angles P-C4'-P energy: -9.447
tors. eta vs tors. theta energy: -8.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 280
Temperature: 1.350000
Total energy: -83.044193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.044193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.044193 (E_RNA)
where:
Base-Base interactions energy: -27.367
where: short stacking energy: -24.973
Base-Backbone interact. energy: -0.748
local terms energy: -54.929930
where:
bonds (distance) C4'-P energy: -16.303
bonds (distance) P-C4' energy: -15.662
flat angles C4'-P-C4' energy: -9.734
flat angles P-C4'-P energy: -12.226
tors. eta vs tors. theta energy: -1.005
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 281
Temperature: 0.900000
Total energy: -284.047925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.047925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.047925 (E_RNA)
where:
Base-Base interactions energy: -187.890
where: short stacking energy: -77.186
Base-Backbone interact. energy: -0.989
local terms energy: -95.169813
where:
bonds (distance) C4'-P energy: -18.411
bonds (distance) P-C4' energy: -17.784
flat angles C4'-P-C4' energy: -18.583
flat angles P-C4'-P energy: -15.943
tors. eta vs tors. theta energy: -24.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 281
Temperature: 0.950000
Total energy: -286.604461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.604461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.604461 (E_RNA)
where:
Base-Base interactions energy: -195.939
where: short stacking energy: -83.436
Base-Backbone interact. energy: -0.712
local terms energy: -89.953324
where:
bonds (distance) C4'-P energy: -16.075
bonds (distance) P-C4' energy: -16.147
flat angles C4'-P-C4' energy: -16.736
flat angles P-C4'-P energy: -14.016
tors. eta vs tors. theta energy: -26.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 281
Temperature: 1.000000
Total energy: -282.403075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.403075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.403075 (E_RNA)
where:
Base-Base interactions energy: -196.399
where: short stacking energy: -71.368
Base-Backbone interact. energy: -1.678
local terms energy: -84.326116
where:
bonds (distance) C4'-P energy: -16.324
bonds (distance) P-C4' energy: -16.608
flat angles C4'-P-C4' energy: -17.419
flat angles P-C4'-P energy: -13.062
tors. eta vs tors. theta energy: -20.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 281
Temperature: 1.050000
Total energy: -274.793753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.793753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.793753 (E_RNA)
where:
Base-Base interactions energy: -189.688
where: short stacking energy: -73.714
Base-Backbone interact. energy: -0.015
local terms energy: -85.090744
where:
bonds (distance) C4'-P energy: -18.715
bonds (distance) P-C4' energy: -18.156
flat angles C4'-P-C4' energy: -17.941
flat angles P-C4'-P energy: -4.404
tors. eta vs tors. theta energy: -25.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 281
Temperature: 1.100000
Total energy: -267.096232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.096232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.096232 (E_RNA)
where:
Base-Base interactions energy: -181.663
where: short stacking energy: -81.334
Base-Backbone interact. energy: -0.727
local terms energy: -84.705845
where:
bonds (distance) C4'-P energy: -9.945
bonds (distance) P-C4' energy: -19.952
flat angles C4'-P-C4' energy: -19.899
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -24.550
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: 6, replica: 6
=====================================
Write number: 281
Temperature: 1.150000
Total energy: -268.413583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.413583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.413583 (E_RNA)
where:
Base-Base interactions energy: -182.522
where: short stacking energy: -65.404
Base-Backbone interact. energy: -0.399
local terms energy: -85.491780
where:
bonds (distance) C4'-P energy: -17.220
bonds (distance) P-C4' energy: -17.212
flat angles C4'-P-C4' energy: -19.562
flat angles P-C4'-P energy: -12.618
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: 4
=====================================
Write number: 281
Temperature: 1.200000
Total energy: -213.679540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.679540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.679540 (E_RNA)
where:
Base-Base interactions energy: -138.751
where: short stacking energy: -62.455
Base-Backbone interact. energy: -0.125
local terms energy: -74.803196
where:
bonds (distance) C4'-P energy: -10.937
bonds (distance) P-C4' energy: -20.092
flat angles C4'-P-C4' energy: -15.073
flat angles P-C4'-P energy: -10.353
tors. eta vs tors. theta energy: -18.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 281
Temperature: 1.250000
Total energy: -93.598555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.598555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.598555 (E_RNA)
where:
Base-Base interactions energy: -32.524
where: short stacking energy: -31.823
Base-Backbone interact. energy: -0.233
local terms energy: -60.842321
where:
bonds (distance) C4'-P energy: -14.090
bonds (distance) P-C4' energy: -18.206
flat angles C4'-P-C4' energy: -8.049
flat angles P-C4'-P energy: -14.097
tors. eta vs tors. theta energy: -6.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 281
Temperature: 1.300000
Total energy: -111.766951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.766951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.766951 (E_RNA)
where:
Base-Base interactions energy: -51.743
where: short stacking energy: -42.410
Base-Backbone interact. energy: -0.960
local terms energy: -59.063453
where:
bonds (distance) C4'-P energy: -16.712
bonds (distance) P-C4' energy: -9.600
flat angles C4'-P-C4' energy: -14.663
flat angles P-C4'-P energy: -10.843
tors. eta vs tors. theta energy: -7.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 281
Temperature: 1.350000
Total energy: -125.390091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.390091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.390091 (E_RNA)
where:
Base-Base interactions energy: -59.769
where: short stacking energy: -26.331
Base-Backbone interact. energy: -0.019
local terms energy: -65.602230
where:
bonds (distance) C4'-P energy: -18.516
bonds (distance) P-C4' energy: -16.667
flat angles C4'-P-C4' energy: -16.186
flat angles P-C4'-P energy: -9.916
tors. eta vs tors. theta energy: -4.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 282
Temperature: 0.900000
Total energy: -280.967604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.967604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.967604 (E_RNA)
where:
Base-Base interactions energy: -195.899
where: short stacking energy: -83.903
Base-Backbone interact. energy: -0.139
local terms energy: -84.930232
where:
bonds (distance) C4'-P energy: -16.539
bonds (distance) P-C4' energy: -16.702
flat angles C4'-P-C4' energy: -16.389
flat angles P-C4'-P energy: -10.444
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: 8
=====================================
Write number: 282
Temperature: 0.950000
Total energy: -280.424571 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.424571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.424571 (E_RNA)
where:
Base-Base interactions energy: -190.964
where: short stacking energy: -73.147
Base-Backbone interact. energy: -3.067
local terms energy: -86.393882
where:
bonds (distance) C4'-P energy: -18.805
bonds (distance) P-C4' energy: -18.347
flat angles C4'-P-C4' energy: -17.507
flat angles P-C4'-P energy: -12.418
tors. eta vs tors. theta energy: -19.317
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: 7
=====================================
Write number: 282
Temperature: 1.000000
Total energy: -278.449077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.449077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.449077 (E_RNA)
where:
Base-Base interactions energy: -194.665
where: short stacking energy: -78.809
Base-Backbone interact. energy: -0.733
local terms energy: -83.051365
where:
bonds (distance) C4'-P energy: -13.599
bonds (distance) P-C4' energy: -16.180
flat angles C4'-P-C4' energy: -19.395
flat angles P-C4'-P energy: -11.518
tors. eta vs tors. theta energy: -22.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 282
Temperature: 1.050000
Total energy: -271.164700 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.164700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.164700 (E_RNA)
where:
Base-Base interactions energy: -194.287
where: short stacking energy: -74.497
Base-Backbone interact. energy: -0.116
local terms energy: -76.761198
where:
bonds (distance) C4'-P energy: -14.767
bonds (distance) P-C4' energy: -16.324
flat angles C4'-P-C4' energy: -16.275
flat angles P-C4'-P energy: -9.633
tors. eta vs tors. theta energy: -19.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 282
Temperature: 1.100000
Total energy: -266.344998 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.344998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.344998 (E_RNA)
where:
Base-Base interactions energy: -184.626
where: short stacking energy: -67.186
Base-Backbone interact. energy: -0.895
local terms energy: -80.824322
where:
bonds (distance) C4'-P energy: -19.127
bonds (distance) P-C4' energy: -15.974
flat angles C4'-P-C4' energy: -14.240
flat angles P-C4'-P energy: -13.240
tors. eta vs tors. theta energy: -18.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 282
Temperature: 1.150000
Total energy: -255.927473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.927473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.927473 (E_RNA)
where:
Base-Base interactions energy: -178.183
where: short stacking energy: -76.276
Base-Backbone interact. energy: -1.607
local terms energy: -76.137297
where:
bonds (distance) C4'-P energy: -13.658
bonds (distance) P-C4' energy: -18.862
flat angles C4'-P-C4' energy: -18.163
flat angles P-C4'-P energy: -8.095
tors. eta vs tors. theta energy: -17.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 282
Temperature: 1.200000
Total energy: -183.503752 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.503752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.503752 (E_RNA)
where:
Base-Base interactions energy: -134.622
where: short stacking energy: -48.922
Base-Backbone interact. energy: 3.495
local terms energy: -52.376165
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -15.254
flat angles C4'-P-C4' energy: -10.830
flat angles P-C4'-P energy: -0.711
tors. eta vs tors. theta energy: -11.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 282
Temperature: 1.250000
Total energy: -98.585338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.585338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.585338 (E_RNA)
where:
Base-Base interactions energy: -38.217
where: short stacking energy: -33.550
Base-Backbone interact. energy: -0.255
local terms energy: -60.113791
where:
bonds (distance) C4'-P energy: -17.720
bonds (distance) P-C4' energy: -12.533
flat angles C4'-P-C4' energy: -13.438
flat angles P-C4'-P energy: -13.315
tors. eta vs tors. theta energy: -3.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 282
Temperature: 1.300000
Total energy: -96.864499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.864499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.864499 (E_RNA)
where:
Base-Base interactions energy: -42.241
where: short stacking energy: -19.622
Base-Backbone interact. energy: -0.204
local terms energy: -54.419337
where:
bonds (distance) C4'-P energy: -10.727
bonds (distance) P-C4' energy: -18.465
flat angles C4'-P-C4' energy: -13.112
flat angles P-C4'-P energy: -13.165
tors. eta vs tors. theta energy: 1.051
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: 1
=====================================
Write number: 282
Temperature: 1.350000
Total energy: -86.014330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.014330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.014330 (E_RNA)
where:
Base-Base interactions energy: -28.978
where: short stacking energy: -20.791
Base-Backbone interact. energy: -0.751
local terms energy: -56.284654
where:
bonds (distance) C4'-P energy: -16.205
bonds (distance) P-C4' energy: -16.982
flat angles C4'-P-C4' energy: -14.156
flat angles P-C4'-P energy: -11.705
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: 1, replica: 3
=====================================
Write number: 283
Temperature: 0.900000
Total energy: -284.535217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.535217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.535217 (E_RNA)
where:
Base-Base interactions energy: -194.987
where: short stacking energy: -76.883
Base-Backbone interact. energy: -0.640
local terms energy: -88.908635
where:
bonds (distance) C4'-P energy: -15.968
bonds (distance) P-C4' energy: -16.744
flat angles C4'-P-C4' energy: -17.864
flat angles P-C4'-P energy: -14.600
tors. eta vs tors. theta energy: -23.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 283
Temperature: 0.950000
Total energy: -286.036368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.036368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.036368 (E_RNA)
where:
Base-Base interactions energy: -189.199
where: short stacking energy: -83.053
Base-Backbone interact. energy: -2.114
local terms energy: -94.723879
where:
bonds (distance) C4'-P energy: -18.369
bonds (distance) P-C4' energy: -19.131
flat angles C4'-P-C4' energy: -15.644
flat angles P-C4'-P energy: -14.130
tors. eta vs tors. theta energy: -27.450
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: 8
=====================================
Write number: 283
Temperature: 1.000000
Total energy: -273.672630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.672630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.672630 (E_RNA)
where:
Base-Base interactions energy: -185.069
where: short stacking energy: -80.153
Base-Backbone interact. energy: 0.023
local terms energy: -88.626170
where:
bonds (distance) C4'-P energy: -16.937
bonds (distance) P-C4' energy: -18.033
flat angles C4'-P-C4' energy: -19.446
flat angles P-C4'-P energy: -11.152
tors. eta vs tors. theta energy: -23.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 283
Temperature: 1.050000
Total energy: -272.996857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.996857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.996857 (E_RNA)
where:
Base-Base interactions energy: -183.528
where: short stacking energy: -78.803
Base-Backbone interact. energy: -0.871
local terms energy: -88.597731
where:
bonds (distance) C4'-P energy: -15.318
bonds (distance) P-C4' energy: -12.904
flat angles C4'-P-C4' energy: -21.004
flat angles P-C4'-P energy: -15.205
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: 5, replica: 5
=====================================
Write number: 283
Temperature: 1.100000
Total energy: -274.579775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.579775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.579775 (E_RNA)
where:
Base-Base interactions energy: -193.325
where: short stacking energy: -69.225
Base-Backbone interact. energy: -0.569
local terms energy: -80.686051
where:
bonds (distance) C4'-P energy: -16.192
bonds (distance) P-C4' energy: -11.234
flat angles C4'-P-C4' energy: -19.212
flat angles P-C4'-P energy: -11.807
tors. eta vs tors. theta energy: -22.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 283
Temperature: 1.150000
Total energy: -268.725003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.725003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.725003 (E_RNA)
where:
Base-Base interactions energy: -186.878
where: short stacking energy: -70.222
Base-Backbone interact. energy: -0.081
local terms energy: -81.765305
where:
bonds (distance) C4'-P energy: -19.460
bonds (distance) P-C4' energy: -12.061
flat angles C4'-P-C4' energy: -16.421
flat angles P-C4'-P energy: -11.997
tors. eta vs tors. theta energy: -21.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 283
Temperature: 1.200000
Total energy: -182.921196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.921196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.921196 (E_RNA)
where:
Base-Base interactions energy: -116.536
where: short stacking energy: -49.943
Base-Backbone interact. energy: 0.311
local terms energy: -66.696350
where:
bonds (distance) C4'-P energy: -18.016
bonds (distance) P-C4' energy: -18.458
flat angles C4'-P-C4' energy: -16.671
flat angles P-C4'-P energy: -7.921
tors. eta vs tors. theta energy: -5.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 283
Temperature: 1.250000
Total energy: -96.201553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.201553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.201553 (E_RNA)
where:
Base-Base interactions energy: -43.194
where: short stacking energy: -30.070
Base-Backbone interact. energy: -0.343
local terms energy: -52.664077
where:
bonds (distance) C4'-P energy: -12.160
bonds (distance) P-C4' energy: -19.884
flat angles C4'-P-C4' energy: -13.743
flat angles P-C4'-P energy: -11.727
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: 9, replica: 9
=====================================
Write number: 283
Temperature: 1.300000
Total energy: -94.104145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.104145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.104145 (E_RNA)
where:
Base-Base interactions energy: -42.574
where: short stacking energy: -42.574
Base-Backbone interact. energy: -0.237
local terms energy: -51.293149
where:
bonds (distance) C4'-P energy: -12.261
bonds (distance) P-C4' energy: -14.918
flat angles C4'-P-C4' energy: -10.749
flat angles P-C4'-P energy: -7.074
tors. eta vs tors. theta energy: -6.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 283
Temperature: 1.350000
Total energy: -86.682481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.682481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.682481 (E_RNA)
where:
Base-Base interactions energy: -32.379
where: short stacking energy: -26.733
Base-Backbone interact. energy: -0.233
local terms energy: -54.070713
where:
bonds (distance) C4'-P energy: -11.079
bonds (distance) P-C4' energy: -16.198
flat angles C4'-P-C4' energy: -20.040
flat angles P-C4'-P energy: -8.830
tors. eta vs tors. theta energy: 2.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 284
Temperature: 0.900000
Total energy: -286.640546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.640546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.640546 (E_RNA)
where:
Base-Base interactions energy: -192.600
where: short stacking energy: -85.537
Base-Backbone interact. energy: -0.950
local terms energy: -93.090859
where:
bonds (distance) C4'-P energy: -18.265
bonds (distance) P-C4' energy: -21.737
flat angles C4'-P-C4' energy: -16.990
flat angles P-C4'-P energy: -13.910
tors. eta vs tors. theta energy: -22.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 284
Temperature: 0.950000
Total energy: -281.212159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.212159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.212159 (E_RNA)
where:
Base-Base interactions energy: -191.378
where: short stacking energy: -77.794
Base-Backbone interact. energy: -0.018
local terms energy: -89.816504
where:
bonds (distance) C4'-P energy: -17.353
bonds (distance) P-C4' energy: -15.003
flat angles C4'-P-C4' energy: -18.572
flat angles P-C4'-P energy: -12.449
tors. eta vs tors. theta energy: -26.440
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 284
Temperature: 1.000000
Total energy: -270.598154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.598154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.598154 (E_RNA)
where:
Base-Base interactions energy: -181.524
where: short stacking energy: -72.133
Base-Backbone interact. energy: -0.678
local terms energy: -88.395965
where:
bonds (distance) C4'-P energy: -17.571
bonds (distance) P-C4' energy: -15.085
flat angles C4'-P-C4' energy: -18.498
flat angles P-C4'-P energy: -13.092
tors. eta vs tors. theta energy: -24.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 284
Temperature: 1.050000
Total energy: -272.835634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.835634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.835634 (E_RNA)
where:
Base-Base interactions energy: -192.055
where: short stacking energy: -76.678
Base-Backbone interact. energy: -0.963
local terms energy: -79.818134
where:
bonds (distance) C4'-P energy: -17.393
bonds (distance) P-C4' energy: -11.050
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -11.485
tors. eta vs tors. theta energy: -22.579
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: 10
=====================================
Write number: 284
Temperature: 1.100000
Total energy: -265.256915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.256915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.256915 (E_RNA)
where:
Base-Base interactions energy: -179.002
where: short stacking energy: -75.634
Base-Backbone interact. energy: -0.064
local terms energy: -86.191351
where:
bonds (distance) C4'-P energy: -17.044
bonds (distance) P-C4' energy: -12.978
flat angles C4'-P-C4' energy: -19.593
flat angles P-C4'-P energy: -15.572
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: 6, replica: 5
=====================================
Write number: 284
Temperature: 1.150000
Total energy: -254.309938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.309938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.309938 (E_RNA)
where:
Base-Base interactions energy: -167.460
where: short stacking energy: -73.360
Base-Backbone interact. energy: -0.045
local terms energy: -86.804835
where:
bonds (distance) C4'-P energy: -17.808
bonds (distance) P-C4' energy: -14.363
flat angles C4'-P-C4' energy: -19.877
flat angles P-C4'-P energy: -13.230
tors. eta vs tors. theta energy: -21.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 284
Temperature: 1.200000
Total energy: -165.637794 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.637794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.637794 (E_RNA)
where:
Base-Base interactions energy: -108.015
where: short stacking energy: -39.896
Base-Backbone interact. energy: -0.748
local terms energy: -56.874782
where:
bonds (distance) C4'-P energy: -19.082
bonds (distance) P-C4' energy: -15.893
flat angles C4'-P-C4' energy: -10.387
flat angles P-C4'-P energy: -6.770
tors. eta vs tors. theta energy: -4.742
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 284
Temperature: 1.250000
Total energy: -95.494421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.494421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.494421 (E_RNA)
where:
Base-Base interactions energy: -48.890
where: short stacking energy: -23.522
Base-Backbone interact. energy: -0.328
local terms energy: -46.276529
where:
bonds (distance) C4'-P energy: -13.535
bonds (distance) P-C4' energy: -16.286
flat angles C4'-P-C4' energy: -8.288
flat angles P-C4'-P energy: -5.074
tors. eta vs tors. theta energy: -3.095
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: 9, replica: 9
=====================================
Write number: 284
Temperature: 1.300000
Total energy: -141.078515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -141.078515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -141.078515 (E_RNA)
where:
Base-Base interactions energy: -75.746
where: short stacking energy: -44.469
Base-Backbone interact. energy: -0.322
local terms energy: -65.010732
where:
bonds (distance) C4'-P energy: -11.307
bonds (distance) P-C4' energy: -14.818
flat angles C4'-P-C4' energy: -16.554
flat angles P-C4'-P energy: -9.545
tors. eta vs tors. theta energy: -12.787
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 284
Temperature: 1.350000
Total energy: -94.557294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.557294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.557294 (E_RNA)
where:
Base-Base interactions energy: -48.514
where: short stacking energy: -24.352
Base-Backbone interact. energy: -0.117
local terms energy: -45.926521
where:
bonds (distance) C4'-P energy: -12.747
bonds (distance) P-C4' energy: -11.200
flat angles C4'-P-C4' energy: -12.144
flat angles P-C4'-P energy: -7.892
tors. eta vs tors. theta energy: -1.944
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 285
Temperature: 0.900000
Total energy: -290.103203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.103203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.103203 (E_RNA)
where:
Base-Base interactions energy: -195.805
where: short stacking energy: -79.278
Base-Backbone interact. energy: -2.036
local terms energy: -92.262176
where:
bonds (distance) C4'-P energy: -17.111
bonds (distance) P-C4' energy: -16.982
flat angles C4'-P-C4' energy: -18.547
flat angles P-C4'-P energy: -14.140
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: 2, replica: 6
=====================================
Write number: 285
Temperature: 0.950000
Total energy: -281.461994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.461994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.461994 (E_RNA)
where:
Base-Base interactions energy: -191.764
where: short stacking energy: -83.323
Base-Backbone interact. energy: -0.046
local terms energy: -89.651618
where:
bonds (distance) C4'-P energy: -17.002
bonds (distance) P-C4' energy: -18.022
flat angles C4'-P-C4' energy: -16.400
flat angles P-C4'-P energy: -14.442
tors. eta vs tors. theta energy: -23.785
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: 285
Temperature: 1.000000
Total energy: -283.975604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.975604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.975604 (E_RNA)
where:
Base-Base interactions energy: -189.322
where: short stacking energy: -79.123
Base-Backbone interact. energy: -0.385
local terms energy: -94.268858
where:
bonds (distance) C4'-P energy: -17.191
bonds (distance) P-C4' energy: -18.664
flat angles C4'-P-C4' energy: -20.464
flat angles P-C4'-P energy: -12.973
tors. eta vs tors. theta energy: -24.978
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 285
Temperature: 1.050000
Total energy: -272.417616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.417616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.417616 (E_RNA)
where:
Base-Base interactions energy: -185.604
where: short stacking energy: -84.441
Base-Backbone interact. energy: -0.054
local terms energy: -86.759374
where:
bonds (distance) C4'-P energy: -17.627
bonds (distance) P-C4' energy: -17.195
flat angles C4'-P-C4' energy: -17.964
flat angles P-C4'-P energy: -10.152
tors. eta vs tors. theta energy: -23.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 285
Temperature: 1.100000
Total energy: -262.525559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.525559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.525559 (E_RNA)
where:
Base-Base interactions energy: -183.805
where: short stacking energy: -73.280
Base-Backbone interact. energy: 1.798
local terms energy: -80.518589
where:
bonds (distance) C4'-P energy: -17.854
bonds (distance) P-C4' energy: -13.113
flat angles C4'-P-C4' energy: -18.570
flat angles P-C4'-P energy: -7.606
tors. eta vs tors. theta energy: -23.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 285
Temperature: 1.150000
Total energy: -271.066290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.066290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.066290 (E_RNA)
where:
Base-Base interactions energy: -188.270
where: short stacking energy: -76.117
Base-Backbone interact. energy: -1.487
local terms energy: -81.308651
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -14.908
flat angles C4'-P-C4' energy: -19.710
flat angles P-C4'-P energy: -10.379
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: 7, replica: 4
=====================================
Write number: 285
Temperature: 1.200000
Total energy: -178.510568 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.510568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.510568 (E_RNA)
where:
Base-Base interactions energy: -114.126
where: short stacking energy: -52.740
Base-Backbone interact. energy: -1.480
local terms energy: -62.904851
where:
bonds (distance) C4'-P energy: -18.378
bonds (distance) P-C4' energy: -13.182
flat angles C4'-P-C4' energy: -14.112
flat angles P-C4'-P energy: -7.484
tors. eta vs tors. theta energy: -9.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 285
Temperature: 1.250000
Total energy: -159.257379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.257379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.257379 (E_RNA)
where:
Base-Base interactions energy: -93.593
where: short stacking energy: -54.583
Base-Backbone interact. energy: -0.017
local terms energy: -65.647258
where:
bonds (distance) C4'-P energy: -12.152
bonds (distance) P-C4' energy: -16.913
flat angles C4'-P-C4' energy: -15.677
flat angles P-C4'-P energy: -8.317
tors. eta vs tors. theta energy: -12.588
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: 9, replica: 2
=====================================
Write number: 285
Temperature: 1.300000
Total energy: -93.710667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.710667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.710667 (E_RNA)
where:
Base-Base interactions energy: -47.063
where: short stacking energy: -39.083
Base-Backbone interact. energy: 2.365
local terms energy: -49.012775
where:
bonds (distance) C4'-P energy: -8.725
bonds (distance) P-C4' energy: -18.120
flat angles C4'-P-C4' energy: -14.216
flat angles P-C4'-P energy: -7.640
tors. eta vs tors. theta energy: -0.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 285
Temperature: 1.350000
Total energy: -104.110307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.110307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.110307 (E_RNA)
where:
Base-Base interactions energy: -41.616
where: short stacking energy: -33.051
Base-Backbone interact. energy: -0.022
local terms energy: -62.471957
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -12.474
flat angles P-C4'-P energy: -12.320
tors. eta vs tors. theta energy: -7.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 286
Temperature: 0.900000
Total energy: -289.446071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.446071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.446071 (E_RNA)
where:
Base-Base interactions energy: -200.244
where: short stacking energy: -75.998
Base-Backbone interact. energy: -1.872
local terms energy: -87.330620
where:
bonds (distance) C4'-P energy: -16.938
bonds (distance) P-C4' energy: -19.291
flat angles C4'-P-C4' energy: -17.861
flat angles P-C4'-P energy: -11.289
tors. eta vs tors. theta energy: -21.952
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: 2, replica: 7
=====================================
Write number: 286
Temperature: 0.950000
Total energy: -284.463031 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.463031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.463031 (E_RNA)
where:
Base-Base interactions energy: -193.295
where: short stacking energy: -70.850
Base-Backbone interact. energy: -3.139
local terms energy: -88.028697
where:
bonds (distance) C4'-P energy: -14.678
bonds (distance) P-C4' energy: -19.564
flat angles C4'-P-C4' energy: -17.821
flat angles P-C4'-P energy: -14.886
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: 10
=====================================
Write number: 286
Temperature: 1.000000
Total energy: -275.194896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.194896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.194896 (E_RNA)
where:
Base-Base interactions energy: -186.975
where: short stacking energy: -79.682
Base-Backbone interact. energy: -1.256
local terms energy: -86.963493
where:
bonds (distance) C4'-P energy: -15.532
bonds (distance) P-C4' energy: -19.175
flat angles C4'-P-C4' energy: -17.997
flat angles P-C4'-P energy: -10.385
tors. eta vs tors. theta energy: -23.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 286
Temperature: 1.050000
Total energy: -281.646882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.646882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.646882 (E_RNA)
where:
Base-Base interactions energy: -189.806
where: short stacking energy: -80.684
Base-Backbone interact. energy: -0.880
local terms energy: -90.960861
where:
bonds (distance) C4'-P energy: -16.072
bonds (distance) P-C4' energy: -20.577
flat angles C4'-P-C4' energy: -15.915
flat angles P-C4'-P energy: -13.365
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: 5, replica: 8
=====================================
Write number: 286
Temperature: 1.100000
Total energy: -280.345279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.345279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.345279 (E_RNA)
where:
Base-Base interactions energy: -186.317
where: short stacking energy: -77.850
Base-Backbone interact. energy: -0.814
local terms energy: -93.214102
where:
bonds (distance) C4'-P energy: -14.869
bonds (distance) P-C4' energy: -20.676
flat angles C4'-P-C4' energy: -19.169
flat angles P-C4'-P energy: -15.647
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: 6, replica: 5
=====================================
Write number: 286
Temperature: 1.150000
Total energy: -251.991981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.991981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.991981 (E_RNA)
where:
Base-Base interactions energy: -178.522
where: short stacking energy: -67.443
Base-Backbone interact. energy: -0.140
local terms energy: -73.330416
where:
bonds (distance) C4'-P energy: -7.889
bonds (distance) P-C4' energy: -13.176
flat angles C4'-P-C4' energy: -17.506
flat angles P-C4'-P energy: -13.937
tors. eta vs tors. theta energy: -20.823
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: 4
=====================================
Write number: 286
Temperature: 1.200000
Total energy: -172.585567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.585567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.585567 (E_RNA)
where:
Base-Base interactions energy: -108.943
where: short stacking energy: -47.015
Base-Backbone interact. energy: -1.027
local terms energy: -62.615699
where:
bonds (distance) C4'-P energy: -14.060
bonds (distance) P-C4' energy: -12.063
flat angles C4'-P-C4' energy: -15.774
flat angles P-C4'-P energy: -13.644
tors. eta vs tors. theta energy: -7.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 286
Temperature: 1.250000
Total energy: -194.651800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.651800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.651800 (E_RNA)
where:
Base-Base interactions energy: -115.617
where: short stacking energy: -59.202
Base-Backbone interact. energy: -0.182
local terms energy: -78.852441
where:
bonds (distance) C4'-P energy: -10.152
bonds (distance) P-C4' energy: -18.382
flat angles C4'-P-C4' energy: -18.822
flat angles P-C4'-P energy: -10.589
tors. eta vs tors. theta energy: -20.907
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: 1
=====================================
Write number: 286
Temperature: 1.300000
Total energy: -89.602374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.602374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.602374 (E_RNA)
where:
Base-Base interactions energy: -34.317
where: short stacking energy: -26.630
Base-Backbone interact. energy: 0.715
local terms energy: -56.000659
where:
bonds (distance) C4'-P energy: -16.238
bonds (distance) P-C4' energy: -14.734
flat angles C4'-P-C4' energy: -17.027
flat angles P-C4'-P energy: -10.863
tors. eta vs tors. theta energy: 2.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 286
Temperature: 1.350000
Total energy: -82.810506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.810506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.810506 (E_RNA)
where:
Base-Base interactions energy: -32.770
where: short stacking energy: -25.824
Base-Backbone interact. energy: -0.775
local terms energy: -49.265107
where:
bonds (distance) C4'-P energy: -13.799
bonds (distance) P-C4' energy: -13.173
flat angles C4'-P-C4' energy: -15.187
flat angles P-C4'-P energy: -6.171
tors. eta vs tors. theta energy: -0.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 287
Temperature: 0.900000
Total energy: -291.091359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.091359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.091359 (E_RNA)
where:
Base-Base interactions energy: -200.176
where: short stacking energy: -73.449
Base-Backbone interact. energy: -0.935
local terms energy: -89.980325
where:
bonds (distance) C4'-P energy: -20.440
bonds (distance) P-C4' energy: -19.150
flat angles C4'-P-C4' energy: -15.414
flat angles P-C4'-P energy: -16.221
tors. eta vs tors. theta energy: -18.755
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 287
Temperature: 0.950000
Total energy: -281.591628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.591628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.591628 (E_RNA)
where:
Base-Base interactions energy: -191.524
where: short stacking energy: -80.067
Base-Backbone interact. energy: -0.249
local terms energy: -89.818709
where:
bonds (distance) C4'-P energy: -14.105
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -22.164
flat angles P-C4'-P energy: -13.301
tors. eta vs tors. theta energy: -23.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 287
Temperature: 1.000000
Total energy: -278.731443 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.731443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.731443 (E_RNA)
where:
Base-Base interactions energy: -189.573
where: short stacking energy: -81.526
Base-Backbone interact. energy: 0.385
local terms energy: -89.543272
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -17.208
flat angles C4'-P-C4' energy: -18.515
flat angles P-C4'-P energy: -15.847
tors. eta vs tors. theta energy: -23.568
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 287
Temperature: 1.050000
Total energy: -270.882530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.882530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.882530 (E_RNA)
where:
Base-Base interactions energy: -190.624
where: short stacking energy: -78.359
Base-Backbone interact. energy: -0.286
local terms energy: -79.972272
where:
bonds (distance) C4'-P energy: -16.789
bonds (distance) P-C4' energy: -16.075
flat angles C4'-P-C4' energy: -11.534
flat angles P-C4'-P energy: -10.741
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: 3
=====================================
Write number: 287
Temperature: 1.100000
Total energy: -265.711196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.711196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.711196 (E_RNA)
where:
Base-Base interactions energy: -185.337
where: short stacking energy: -78.657
Base-Backbone interact. energy: -0.102
local terms energy: -80.272755
where:
bonds (distance) C4'-P energy: -10.980
bonds (distance) P-C4' energy: -15.324
flat angles C4'-P-C4' energy: -18.540
flat angles P-C4'-P energy: -14.403
tors. eta vs tors. theta energy: -21.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 287
Temperature: 1.150000
Total energy: -263.099639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.099639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.099639 (E_RNA)
where:
Base-Base interactions energy: -182.275
where: short stacking energy: -75.607
Base-Backbone interact. energy: -0.131
local terms energy: -80.692778
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -12.388
flat angles C4'-P-C4' energy: -18.050
flat angles P-C4'-P energy: -11.316
tors. eta vs tors. theta energy: -23.687
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 287
Temperature: 1.200000
Total energy: -192.966302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.966302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.966302 (E_RNA)
where:
Base-Base interactions energy: -127.906
where: short stacking energy: -59.542
Base-Backbone interact. energy: -0.178
local terms energy: -64.882383
where:
bonds (distance) C4'-P energy: -11.799
bonds (distance) P-C4' energy: -13.987
flat angles C4'-P-C4' energy: -16.472
flat angles P-C4'-P energy: -13.039
tors. eta vs tors. theta energy: -9.585
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 287
Temperature: 1.250000
Total energy: -195.543749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.543749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.543749 (E_RNA)
where:
Base-Base interactions energy: -121.664
where: short stacking energy: -53.025
Base-Backbone interact. energy: 0.362
local terms energy: -74.241840
where:
bonds (distance) C4'-P energy: -15.385
bonds (distance) P-C4' energy: -15.218
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -10.930
tors. eta vs tors. theta energy: -18.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 287
Temperature: 1.300000
Total energy: -88.821457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.821457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.821457 (E_RNA)
where:
Base-Base interactions energy: -29.654
where: short stacking energy: -23.903
Base-Backbone interact. energy: -0.143
local terms energy: -59.024658
where:
bonds (distance) C4'-P energy: -16.474
bonds (distance) P-C4' energy: -16.025
flat angles C4'-P-C4' energy: -12.562
flat angles P-C4'-P energy: -12.444
tors. eta vs tors. theta energy: -1.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 287
Temperature: 1.350000
Total energy: -93.970118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.970118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.970118 (E_RNA)
where:
Base-Base interactions energy: -37.553
where: short stacking energy: -37.553
Base-Backbone interact. energy: -0.002
local terms energy: -56.415762
where:
bonds (distance) C4'-P energy: -13.883
bonds (distance) P-C4' energy: -13.061
flat angles C4'-P-C4' energy: -14.699
flat angles P-C4'-P energy: -3.086
tors. eta vs tors. theta energy: -11.687
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: 10
=====================================
Write number: 288
Temperature: 0.900000
Total energy: -290.513875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.513875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.513875 (E_RNA)
where:
Base-Base interactions energy: -200.907
where: short stacking energy: -75.364
Base-Backbone interact. energy: -0.345
local terms energy: -89.261438
where:
bonds (distance) C4'-P energy: -16.983
bonds (distance) P-C4' energy: -19.524
flat angles C4'-P-C4' energy: -19.786
flat angles P-C4'-P energy: -13.049
tors. eta vs tors. theta energy: -19.919
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 288
Temperature: 0.950000
Total energy: -275.439582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.439582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.439582 (E_RNA)
where:
Base-Base interactions energy: -192.326
where: short stacking energy: -75.902
Base-Backbone interact. energy: -0.103
local terms energy: -83.010787
where:
bonds (distance) C4'-P energy: -18.759
bonds (distance) P-C4' energy: -13.327
flat angles C4'-P-C4' energy: -18.692
flat angles P-C4'-P energy: -9.957
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: 3, replica: 8
=====================================
Write number: 288
Temperature: 1.000000
Total energy: -277.258370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.258370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.258370 (E_RNA)
where:
Base-Base interactions energy: -187.133
where: short stacking energy: -79.879
Base-Backbone interact. energy: -0.004
local terms energy: -90.121301
where:
bonds (distance) C4'-P energy: -17.810
bonds (distance) P-C4' energy: -15.711
flat angles C4'-P-C4' energy: -19.389
flat angles P-C4'-P energy: -12.061
tors. eta vs tors. theta energy: -25.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 288
Temperature: 1.050000
Total energy: -267.483904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.483904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.483904 (E_RNA)
where:
Base-Base interactions energy: -181.795
where: short stacking energy: -72.684
Base-Backbone interact. energy: -0.025
local terms energy: -85.664166
where:
bonds (distance) C4'-P energy: -17.742
bonds (distance) P-C4' energy: -14.593
flat angles C4'-P-C4' energy: -18.245
flat angles P-C4'-P energy: -12.564
tors. eta vs tors. theta energy: -22.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 288
Temperature: 1.100000
Total energy: -261.553073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.553073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.553073 (E_RNA)
where:
Base-Base interactions energy: -178.853
where: short stacking energy: -69.619
Base-Backbone interact. energy: -0.085
local terms energy: -82.614454
where:
bonds (distance) C4'-P energy: -13.619
bonds (distance) P-C4' energy: -17.044
flat angles C4'-P-C4' energy: -16.952
flat angles P-C4'-P energy: -15.087
tors. eta vs tors. theta energy: -19.913
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 288
Temperature: 1.150000
Total energy: -269.503090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.503090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.503090 (E_RNA)
where:
Base-Base interactions energy: -188.464
where: short stacking energy: -68.564
Base-Backbone interact. energy: -0.632
local terms energy: -80.407049
where:
bonds (distance) C4'-P energy: -15.858
bonds (distance) P-C4' energy: -16.232
flat angles C4'-P-C4' energy: -17.552
flat angles P-C4'-P energy: -8.349
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: 288
Temperature: 1.200000
Total energy: -194.818375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.818375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.818375 (E_RNA)
where:
Base-Base interactions energy: -123.777
where: short stacking energy: -58.609
Base-Backbone interact. energy: -0.681
local terms energy: -70.361093
where:
bonds (distance) C4'-P energy: -11.838
bonds (distance) P-C4' energy: -15.271
flat angles C4'-P-C4' energy: -18.372
flat angles P-C4'-P energy: -10.834
tors. eta vs tors. theta energy: -14.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 288
Temperature: 1.250000
Total energy: -222.105212 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -222.105212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -222.105212 (E_RNA)
where:
Base-Base interactions energy: -147.686
where: short stacking energy: -57.792
Base-Backbone interact. energy: -0.192
local terms energy: -74.227943
where:
bonds (distance) C4'-P energy: -14.404
bonds (distance) P-C4' energy: -18.931
flat angles C4'-P-C4' energy: -13.915
flat angles P-C4'-P energy: -12.686
tors. eta vs tors. theta energy: -14.291
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: 2
=====================================
Write number: 288
Temperature: 1.300000
Total energy: -101.960621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.960621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.960621 (E_RNA)
where:
Base-Base interactions energy: -32.723
where: short stacking energy: -32.723
Base-Backbone interact. energy: -0.130
local terms energy: -69.106959
where:
bonds (distance) C4'-P energy: -16.428
bonds (distance) P-C4' energy: -17.552
flat angles C4'-P-C4' energy: -18.284
flat angles P-C4'-P energy: -9.621
tors. eta vs tors. theta energy: -7.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 288
Temperature: 1.350000
Total energy: -89.278751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.278751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.278751 (E_RNA)
where:
Base-Base interactions energy: -36.749
where: short stacking energy: -36.749
Base-Backbone interact. energy: -0.174
local terms energy: -52.355890
where:
bonds (distance) C4'-P energy: -4.127
bonds (distance) P-C4' energy: -19.098
flat angles C4'-P-C4' energy: -12.231
flat angles P-C4'-P energy: -12.289
tors. eta vs tors. theta energy: -4.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 289
Temperature: 0.900000
Total energy: -288.901811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.901811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.901811 (E_RNA)
where:
Base-Base interactions energy: -197.460
where: short stacking energy: -76.178
Base-Backbone interact. energy: -0.172
local terms energy: -91.269713
where:
bonds (distance) C4'-P energy: -18.588
bonds (distance) P-C4' energy: -17.960
flat angles C4'-P-C4' energy: -19.991
flat angles P-C4'-P energy: -15.069
tors. eta vs tors. theta energy: -19.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 289
Temperature: 0.950000
Total energy: -286.365396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.365396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.365396 (E_RNA)
where:
Base-Base interactions energy: -199.165
where: short stacking energy: -80.981
Base-Backbone interact. energy: -0.800
local terms energy: -86.400272
where:
bonds (distance) C4'-P energy: -18.201
bonds (distance) P-C4' energy: -20.492
flat angles C4'-P-C4' energy: -16.637
flat angles P-C4'-P energy: -8.861
tors. eta vs tors. theta energy: -22.209
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: 3, replica: 8
=====================================
Write number: 289
Temperature: 1.000000
Total energy: -278.672586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.672586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.672586 (E_RNA)
where:
Base-Base interactions energy: -193.534
where: short stacking energy: -76.884
Base-Backbone interact. energy: -0.004
local terms energy: -85.134442
where:
bonds (distance) C4'-P energy: -12.073
bonds (distance) P-C4' energy: -16.440
flat angles C4'-P-C4' energy: -15.939
flat angles P-C4'-P energy: -14.811
tors. eta vs tors. theta energy: -25.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 289
Temperature: 1.050000
Total energy: -270.554637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.554637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.554637 (E_RNA)
where:
Base-Base interactions energy: -184.336
where: short stacking energy: -73.795
Base-Backbone interact. energy: -0.091
local terms energy: -86.127435
where:
bonds (distance) C4'-P energy: -16.507
bonds (distance) P-C4' energy: -19.746
flat angles C4'-P-C4' energy: -14.813
flat angles P-C4'-P energy: -12.228
tors. eta vs tors. theta energy: -22.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 289
Temperature: 1.100000
Total energy: -266.176294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.176294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.176294 (E_RNA)
where:
Base-Base interactions energy: -179.995
where: short stacking energy: -73.790
Base-Backbone interact. energy: -0.028
local terms energy: -86.152964
where:
bonds (distance) C4'-P energy: -15.820
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -19.366
flat angles P-C4'-P energy: -10.140
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: 6, replica: 3
=====================================
Write number: 289
Temperature: 1.150000
Total energy: -260.846412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.846412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.846412 (E_RNA)
where:
Base-Base interactions energy: -189.167
where: short stacking energy: -72.380
Base-Backbone interact. energy: -0.366
local terms energy: -71.313229
where:
bonds (distance) C4'-P energy: -7.515
bonds (distance) P-C4' energy: -13.005
flat angles C4'-P-C4' energy: -17.342
flat angles P-C4'-P energy: -13.386
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: 9
=====================================
Write number: 289
Temperature: 1.200000
Total energy: -223.565249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.565249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.565249 (E_RNA)
where:
Base-Base interactions energy: -147.219
where: short stacking energy: -79.988
Base-Backbone interact. energy: -0.168
local terms energy: -76.177648
where:
bonds (distance) C4'-P energy: -13.167
bonds (distance) P-C4' energy: -18.103
flat angles C4'-P-C4' energy: -15.691
flat angles P-C4'-P energy: -6.310
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: 4
=====================================
Write number: 289
Temperature: 1.250000
Total energy: -213.320351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.320351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.320351 (E_RNA)
where:
Base-Base interactions energy: -138.177
where: short stacking energy: -52.070
Base-Backbone interact. energy: -0.955
local terms energy: -74.188555
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -17.940
flat angles C4'-P-C4' energy: -13.206
flat angles P-C4'-P energy: -9.379
tors. eta vs tors. theta energy: -17.578
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: 2
=====================================
Write number: 289
Temperature: 1.300000
Total energy: -89.156314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.156314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.156314 (E_RNA)
where:
Base-Base interactions energy: -33.161
where: short stacking energy: -27.479
Base-Backbone interact. energy: 0.541
local terms energy: -56.535918
where:
bonds (distance) C4'-P energy: -16.504
bonds (distance) P-C4' energy: -13.047
flat angles C4'-P-C4' energy: -16.550
flat angles P-C4'-P energy: -13.522
tors. eta vs tors. theta energy: 3.087
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: 1
=====================================
Write number: 289
Temperature: 1.350000
Total energy: -90.002180 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.002180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.002180 (E_RNA)
where:
Base-Base interactions energy: -49.109
where: short stacking energy: -25.696
Base-Backbone interact. energy: 0.652
local terms energy: -41.545009
where:
bonds (distance) C4'-P energy: -11.445
bonds (distance) P-C4' energy: -16.252
flat angles C4'-P-C4' energy: -16.320
flat angles P-C4'-P energy: -1.516
tors. eta vs tors. theta energy: 3.987
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 290
Temperature: 0.900000
Total energy: -288.986209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.986209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.986209 (E_RNA)
where:
Base-Base interactions energy: -195.433
where: short stacking energy: -78.065
Base-Backbone interact. energy: -0.333
local terms energy: -93.220195
where:
bonds (distance) C4'-P energy: -18.950
bonds (distance) P-C4' energy: -17.797
flat angles C4'-P-C4' energy: -19.872
flat angles P-C4'-P energy: -12.665
tors. eta vs tors. theta energy: -23.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 290
Temperature: 0.950000
Total energy: -283.686228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.686228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.686228 (E_RNA)
where:
Base-Base interactions energy: -203.069
where: short stacking energy: -70.606
Base-Backbone interact. energy: -0.062
local terms energy: -80.554820
where:
bonds (distance) C4'-P energy: -13.937
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -17.609
flat angles P-C4'-P energy: -11.762
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: 3, replica: 5
=====================================
Write number: 290
Temperature: 1.000000
Total energy: -276.204691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.204691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.204691 (E_RNA)
where:
Base-Base interactions energy: -185.899
where: short stacking energy: -76.409
Base-Backbone interact. energy: -0.008
local terms energy: -90.298100
where:
bonds (distance) C4'-P energy: -16.925
bonds (distance) P-C4' energy: -13.983
flat angles C4'-P-C4' energy: -21.436
flat angles P-C4'-P energy: -12.406
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: 4, replica: 8
=====================================
Write number: 290
Temperature: 1.050000
Total energy: -279.489811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.489811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.489811 (E_RNA)
where:
Base-Base interactions energy: -189.569
where: short stacking energy: -71.208
Base-Backbone interact. energy: -0.725
local terms energy: -89.196053
where:
bonds (distance) C4'-P energy: -17.845
bonds (distance) P-C4' energy: -16.616
flat angles C4'-P-C4' energy: -16.665
flat angles P-C4'-P energy: -14.255
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: 5, replica: 3
=====================================
Write number: 290
Temperature: 1.100000
Total energy: -280.093125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.093125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.093125 (E_RNA)
where:
Base-Base interactions energy: -190.289
where: short stacking energy: -76.860
Base-Backbone interact. energy: -0.032
local terms energy: -89.771854
where:
bonds (distance) C4'-P energy: -13.805
bonds (distance) P-C4' energy: -17.244
flat angles C4'-P-C4' energy: -19.547
flat angles P-C4'-P energy: -14.550
tors. eta vs tors. theta energy: -24.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 290
Temperature: 1.150000
Total energy: -252.268905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.268905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.268905 (E_RNA)
where:
Base-Base interactions energy: -177.620
where: short stacking energy: -69.907
Base-Backbone interact. energy: -0.074
local terms energy: -74.575743
where:
bonds (distance) C4'-P energy: -12.591
bonds (distance) P-C4' energy: -12.460
flat angles C4'-P-C4' energy: -16.391
flat angles P-C4'-P energy: -10.853
tors. eta vs tors. theta energy: -22.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 290
Temperature: 1.200000
Total energy: -225.111124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.111124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.111124 (E_RNA)
where:
Base-Base interactions energy: -154.934
where: short stacking energy: -70.393
Base-Backbone interact. energy: -0.192
local terms energy: -69.985712
where:
bonds (distance) C4'-P energy: -14.596
bonds (distance) P-C4' energy: -11.831
flat angles C4'-P-C4' energy: -17.486
flat angles P-C4'-P energy: -11.091
tors. eta vs tors. theta energy: -14.981
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 290
Temperature: 1.250000
Total energy: -175.086469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.086469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.086469 (E_RNA)
where:
Base-Base interactions energy: -114.841
where: short stacking energy: -47.759
Base-Backbone interact. energy: -0.229
local terms energy: -60.016453
where:
bonds (distance) C4'-P energy: -8.816
bonds (distance) P-C4' energy: -19.266
flat angles C4'-P-C4' energy: -13.197
flat angles P-C4'-P energy: -9.062
tors. eta vs tors. theta energy: -9.675
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: 1
=====================================
Write number: 290
Temperature: 1.300000
Total energy: -92.316313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.316313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.316313 (E_RNA)
where:
Base-Base interactions energy: -46.930
where: short stacking energy: -21.315
Base-Backbone interact. energy: 2.988
local terms energy: -48.374344
where:
bonds (distance) C4'-P energy: -15.824
bonds (distance) P-C4' energy: -15.720
flat angles C4'-P-C4' energy: -14.046
flat angles P-C4'-P energy: -6.465
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: 10, replica: 2
=====================================
Write number: 290
Temperature: 1.350000
Total energy: -91.772723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.772723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.772723 (E_RNA)
where:
Base-Base interactions energy: -27.996
where: short stacking energy: -25.557
Base-Backbone interact. energy: -0.099
local terms energy: -63.677773
where:
bonds (distance) C4'-P energy: -13.854
bonds (distance) P-C4' energy: -19.309
flat angles C4'-P-C4' energy: -17.272
flat angles P-C4'-P energy: -10.795
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: 6
=====================================
Write number: 291
Temperature: 0.900000
Total energy: -285.450248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.450248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.450248 (E_RNA)
where:
Base-Base interactions energy: -196.865
where: short stacking energy: -72.365
Base-Backbone interact. energy: -0.574
local terms energy: -88.010600
where:
bonds (distance) C4'-P energy: -17.063
bonds (distance) P-C4' energy: -20.112
flat angles C4'-P-C4' energy: -15.100
flat angles P-C4'-P energy: -14.000
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: 2, replica: 5
=====================================
Write number: 291
Temperature: 0.950000
Total energy: -278.596673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.596673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.596673 (E_RNA)
where:
Base-Base interactions energy: -187.422
where: short stacking energy: -79.361
Base-Backbone interact. energy: -0.010
local terms energy: -91.163897
where:
bonds (distance) C4'-P energy: -18.124
bonds (distance) P-C4' energy: -19.623
flat angles C4'-P-C4' energy: -15.581
flat angles P-C4'-P energy: -12.507
tors. eta vs tors. theta energy: -25.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 291
Temperature: 1.000000
Total energy: -284.109000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.109000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.109000 (E_RNA)
where:
Base-Base interactions energy: -198.429
where: short stacking energy: -71.187
Base-Backbone interact. energy: -1.543
local terms energy: -84.137023
where:
bonds (distance) C4'-P energy: -17.224
bonds (distance) P-C4' energy: -20.172
flat angles C4'-P-C4' energy: -14.586
flat angles P-C4'-P energy: -10.357
tors. eta vs tors. theta energy: -21.799
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: 4, replica: 3
=====================================
Write number: 291
Temperature: 1.050000
Total energy: -265.870511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.870511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.870511 (E_RNA)
where:
Base-Base interactions energy: -179.778
where: short stacking energy: -79.455
Base-Backbone interact. energy: 0.457
local terms energy: -86.549994
where:
bonds (distance) C4'-P energy: -16.506
bonds (distance) P-C4' energy: -17.178
flat angles C4'-P-C4' energy: -17.109
flat angles P-C4'-P energy: -13.203
tors. eta vs tors. theta energy: -22.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 291
Temperature: 1.100000
Total energy: -273.068693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.068693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.068693 (E_RNA)
where:
Base-Base interactions energy: -193.767
where: short stacking energy: -78.791
Base-Backbone interact. energy: -0.055
local terms energy: -79.246046
where:
bonds (distance) C4'-P energy: -17.311
bonds (distance) P-C4' energy: -5.746
flat angles C4'-P-C4' energy: -17.545
flat angles P-C4'-P energy: -13.142
tors. eta vs tors. theta energy: -25.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 291
Temperature: 1.150000
Total energy: -225.986446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.986446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.986446 (E_RNA)
where:
Base-Base interactions energy: -159.438
where: short stacking energy: -66.949
Base-Backbone interact. energy: -0.446
local terms energy: -66.102434
where:
bonds (distance) C4'-P energy: -11.469
bonds (distance) P-C4' energy: -13.084
flat angles C4'-P-C4' energy: -15.436
flat angles P-C4'-P energy: -13.651
tors. eta vs tors. theta energy: -12.461
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: 7
=====================================
Write number: 291
Temperature: 1.200000
Total energy: -255.100102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.100102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.100102 (E_RNA)
where:
Base-Base interactions energy: -185.724
where: short stacking energy: -72.961
Base-Backbone interact. energy: 0.417
local terms energy: -69.793783
where:
bonds (distance) C4'-P energy: -12.562
bonds (distance) P-C4' energy: -13.497
flat angles C4'-P-C4' energy: -14.200
flat angles P-C4'-P energy: -6.726
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: 8, replica: 4
=====================================
Write number: 291
Temperature: 1.250000
Total energy: -148.907459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.907459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.907459 (E_RNA)
where:
Base-Base interactions energy: -95.632
where: short stacking energy: -38.353
Base-Backbone interact. energy: 0.470
local terms energy: -53.745330
where:
bonds (distance) C4'-P energy: -8.996
bonds (distance) P-C4' energy: -13.987
flat angles C4'-P-C4' energy: -13.935
flat angles P-C4'-P energy: -12.544
tors. eta vs tors. theta energy: -4.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 291
Temperature: 1.300000
Total energy: -93.238051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.238051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.238051 (E_RNA)
where:
Base-Base interactions energy: -41.345
where: short stacking energy: -31.158
Base-Backbone interact. energy: 2.902
local terms energy: -54.795610
where:
bonds (distance) C4'-P energy: -15.733
bonds (distance) P-C4' energy: -12.833
flat angles C4'-P-C4' energy: -13.239
flat angles P-C4'-P energy: -11.362
tors. eta vs tors. theta energy: -1.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 291
Temperature: 1.350000
Total energy: -89.345985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.345985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.345985 (E_RNA)
where:
Base-Base interactions energy: -37.234
where: short stacking energy: -27.213
Base-Backbone interact. energy: -0.242
local terms energy: -51.870366
where:
bonds (distance) C4'-P energy: -13.577
bonds (distance) P-C4' energy: -16.215
flat angles C4'-P-C4' energy: -12.176
flat angles P-C4'-P energy: -11.080
tors. eta vs tors. theta energy: 1.177
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 292
Temperature: 0.900000
Total energy: -295.407514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.407514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.407514 (E_RNA)
where:
Base-Base interactions energy: -205.096
where: short stacking energy: -76.715
Base-Backbone interact. energy: -0.100
local terms energy: -90.211128
where:
bonds (distance) C4'-P energy: -14.926
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -19.371
flat angles P-C4'-P energy: -16.454
tors. eta vs tors. theta energy: -22.188
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: 6
=====================================
Write number: 292
Temperature: 0.950000
Total energy: -286.281425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.281425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.281425 (E_RNA)
where:
Base-Base interactions energy: -193.703
where: short stacking energy: -77.045
Base-Backbone interact. energy: -0.518
local terms energy: -92.059936
where:
bonds (distance) C4'-P energy: -20.787
bonds (distance) P-C4' energy: -16.119
flat angles C4'-P-C4' energy: -17.616
flat angles P-C4'-P energy: -14.680
tors. eta vs tors. theta energy: -22.858
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: 10
=====================================
Write number: 292
Temperature: 1.000000
Total energy: -288.994846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.994846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.994846 (E_RNA)
where:
Base-Base interactions energy: -202.212
where: short stacking energy: -78.733
Base-Backbone interact. energy: -0.009
local terms energy: -86.773548
where:
bonds (distance) C4'-P energy: -16.121
bonds (distance) P-C4' energy: -14.254
flat angles C4'-P-C4' energy: -20.080
flat angles P-C4'-P energy: -12.619
tors. eta vs tors. theta energy: -23.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 292
Temperature: 1.050000
Total energy: -263.090270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.090270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.090270 (E_RNA)
where:
Base-Base interactions energy: -185.002
where: short stacking energy: -80.703
Base-Backbone interact. energy: 0.119
local terms energy: -78.206542
where:
bonds (distance) C4'-P energy: -16.693
bonds (distance) P-C4' energy: -16.195
flat angles C4'-P-C4' energy: -13.802
flat angles P-C4'-P energy: -12.042
tors. eta vs tors. theta energy: -19.474
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: 8
=====================================
Write number: 292
Temperature: 1.100000
Total energy: -261.700096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.700096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.700096 (E_RNA)
where:
Base-Base interactions energy: -173.514
where: short stacking energy: -71.417
Base-Backbone interact. energy: -0.802
local terms energy: -87.384116
where:
bonds (distance) C4'-P energy: -15.786
bonds (distance) P-C4' energy: -20.094
flat angles C4'-P-C4' energy: -21.151
flat angles P-C4'-P energy: -6.908
tors. eta vs tors. theta energy: -23.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 292
Temperature: 1.150000
Total energy: -196.191373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.191373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.191373 (E_RNA)
where:
Base-Base interactions energy: -128.017
where: short stacking energy: -48.020
Base-Backbone interact. energy: -0.141
local terms energy: -68.033774
where:
bonds (distance) C4'-P energy: -18.602
bonds (distance) P-C4' energy: -16.763
flat angles C4'-P-C4' energy: -11.755
flat angles P-C4'-P energy: -13.977
tors. eta vs tors. theta energy: -6.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 292
Temperature: 1.200000
Total energy: -250.078836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.078836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.078836 (E_RNA)
where:
Base-Base interactions energy: -173.977
where: short stacking energy: -64.409
Base-Backbone interact. energy: -0.274
local terms energy: -75.828112
where:
bonds (distance) C4'-P energy: -10.264
bonds (distance) P-C4' energy: -11.536
flat angles C4'-P-C4' energy: -19.598
flat angles P-C4'-P energy: -13.962
tors. eta vs tors. theta energy: -20.468
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: 4
=====================================
Write number: 292
Temperature: 1.250000
Total energy: -105.840974 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.840974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.840974 (E_RNA)
where:
Base-Base interactions energy: -49.858
where: short stacking energy: -28.420
Base-Backbone interact. energy: -0.697
local terms energy: -55.285802
where:
bonds (distance) C4'-P energy: -14.490
bonds (distance) P-C4' energy: -21.787
flat angles C4'-P-C4' energy: -11.177
flat angles P-C4'-P energy: -5.804
tors. eta vs tors. theta energy: -2.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 292
Temperature: 1.300000
Total energy: -108.805393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.805393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.805393 (E_RNA)
where:
Base-Base interactions energy: -52.637
where: short stacking energy: -32.732
Base-Backbone interact. energy: -0.734
local terms energy: -55.434336
where:
bonds (distance) C4'-P energy: -14.036
bonds (distance) P-C4' energy: -13.428
flat angles C4'-P-C4' energy: -17.786
flat angles P-C4'-P energy: -8.766
tors. eta vs tors. theta energy: -1.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 292
Temperature: 1.350000
Total energy: -87.575469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.575469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.575469 (E_RNA)
where:
Base-Base interactions energy: -26.731
where: short stacking energy: -26.731
Base-Backbone interact. energy: -0.209
local terms energy: -60.635056
where:
bonds (distance) C4'-P energy: -16.329
bonds (distance) P-C4' energy: -18.128
flat angles C4'-P-C4' energy: -13.815
flat angles P-C4'-P energy: -11.917
tors. eta vs tors. theta energy: -0.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 293
Temperature: 0.900000
Total energy: -288.435050 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.435050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.435050 (E_RNA)
where:
Base-Base interactions energy: -204.838
where: short stacking energy: -78.163
Base-Backbone interact. energy: 1.516
local terms energy: -85.113009
where:
bonds (distance) C4'-P energy: -15.620
bonds (distance) P-C4' energy: -18.415
flat angles C4'-P-C4' energy: -18.468
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -22.420
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: 2, replica: 10
=====================================
Write number: 293
Temperature: 0.950000
Total energy: -284.243284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.243284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.243284 (E_RNA)
where:
Base-Base interactions energy: -197.304
where: short stacking energy: -73.853
Base-Backbone interact. energy: -1.634
local terms energy: -85.306159
where:
bonds (distance) C4'-P energy: -18.493
bonds (distance) P-C4' energy: -16.958
flat angles C4'-P-C4' energy: -16.193
flat angles P-C4'-P energy: -13.475
tors. eta vs tors. theta energy: -20.187
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 293
Temperature: 1.000000
Total energy: -280.452620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.452620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.452620 (E_RNA)
where:
Base-Base interactions energy: -187.485
where: short stacking energy: -72.815
Base-Backbone interact. energy: -0.691
local terms energy: -92.276305
where:
bonds (distance) C4'-P energy: -18.564
bonds (distance) P-C4' energy: -16.972
flat angles C4'-P-C4' energy: -19.081
flat angles P-C4'-P energy: -14.161
tors. eta vs tors. theta energy: -23.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 293
Temperature: 1.050000
Total energy: -273.590548 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.590548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.590548 (E_RNA)
where:
Base-Base interactions energy: -190.206
where: short stacking energy: -80.547
Base-Backbone interact. energy: -0.020
local terms energy: -83.364246
where:
bonds (distance) C4'-P energy: -16.031
bonds (distance) P-C4' energy: -17.760
flat angles C4'-P-C4' energy: -16.940
flat angles P-C4'-P energy: -10.273
tors. eta vs tors. theta energy: -22.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 293
Temperature: 1.100000
Total energy: -251.183516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.183516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.183516 (E_RNA)
where:
Base-Base interactions energy: -165.374
where: short stacking energy: -69.876
Base-Backbone interact. energy: -0.444
local terms energy: -85.365016
where:
bonds (distance) C4'-P energy: -17.960
bonds (distance) P-C4' energy: -17.402
flat angles C4'-P-C4' energy: -16.224
flat angles P-C4'-P energy: -12.891
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: 6, replica: 7
=====================================
Write number: 293
Temperature: 1.150000
Total energy: -253.681131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.681131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.681131 (E_RNA)
where:
Base-Base interactions energy: -183.946
where: short stacking energy: -65.633
Base-Backbone interact. energy: -0.432
local terms energy: -69.303975
where:
bonds (distance) C4'-P energy: -12.391
bonds (distance) P-C4' energy: -15.871
flat angles C4'-P-C4' energy: -12.395
flat angles P-C4'-P energy: -9.110
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: 7, replica: 9
=====================================
Write number: 293
Temperature: 1.200000
Total energy: -192.496207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.496207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.496207 (E_RNA)
where:
Base-Base interactions energy: -110.503
where: short stacking energy: -57.910
Base-Backbone interact. energy: -0.502
local terms energy: -81.491004
where:
bonds (distance) C4'-P energy: -19.247
bonds (distance) P-C4' energy: -16.408
flat angles C4'-P-C4' energy: -15.218
flat angles P-C4'-P energy: -7.028
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: 8, replica: 1
=====================================
Write number: 293
Temperature: 1.250000
Total energy: -100.742695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.742695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.742695 (E_RNA)
where:
Base-Base interactions energy: -37.089
where: short stacking energy: -37.089
Base-Backbone interact. energy: -0.264
local terms energy: -63.390381
where:
bonds (distance) C4'-P energy: -14.926
bonds (distance) P-C4' energy: -16.892
flat angles C4'-P-C4' energy: -9.552
flat angles P-C4'-P energy: -11.725
tors. eta vs tors. theta energy: -10.294
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: 4
=====================================
Write number: 293
Temperature: 1.300000
Total energy: -100.653601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.653601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.653601 (E_RNA)
where:
Base-Base interactions energy: -43.756
where: short stacking energy: -25.638
Base-Backbone interact. energy: -0.400
local terms energy: -56.498384
where:
bonds (distance) C4'-P energy: -15.103
bonds (distance) P-C4' energy: -20.408
flat angles C4'-P-C4' energy: -9.268
flat angles P-C4'-P energy: -12.646
tors. eta vs tors. theta energy: 0.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 293
Temperature: 1.350000
Total energy: -95.988810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.988810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.988810 (E_RNA)
where:
Base-Base interactions energy: -49.033
where: short stacking energy: -40.987
Base-Backbone interact. energy: 3.738
local terms energy: -50.693583
where:
bonds (distance) C4'-P energy: -11.357
bonds (distance) P-C4' energy: -13.735
flat angles C4'-P-C4' energy: -14.784
flat angles P-C4'-P energy: -9.313
tors. eta vs tors. theta energy: -1.505
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: 10
=====================================
Write number: 294
Temperature: 0.900000
Total energy: -291.777951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.777951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.777951 (E_RNA)
where:
Base-Base interactions energy: -202.541
where: short stacking energy: -78.948
Base-Backbone interact. energy: -0.128
local terms energy: -89.108762
where:
bonds (distance) C4'-P energy: -17.559
bonds (distance) P-C4' energy: -13.843
flat angles C4'-P-C4' energy: -20.937
flat angles P-C4'-P energy: -13.240
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: 2, replica: 5
=====================================
Write number: 294
Temperature: 0.950000
Total energy: -287.933125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.933125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.933125 (E_RNA)
where:
Base-Base interactions energy: -203.682
where: short stacking energy: -78.882
Base-Backbone interact. energy: -0.501
local terms energy: -83.750103
where:
bonds (distance) C4'-P energy: -13.174
bonds (distance) P-C4' energy: -14.816
flat angles C4'-P-C4' energy: -18.443
flat angles P-C4'-P energy: -13.272
tors. eta vs tors. theta energy: -24.046
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: 3, replica: 8
=====================================
Write number: 294
Temperature: 1.000000
Total energy: -275.427067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.427067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.427067 (E_RNA)
where:
Base-Base interactions energy: -192.537
where: short stacking energy: -78.952
Base-Backbone interact. energy: -0.073
local terms energy: -82.817423
where:
bonds (distance) C4'-P energy: -14.883
bonds (distance) P-C4' energy: -16.374
flat angles C4'-P-C4' energy: -18.946
flat angles P-C4'-P energy: -12.675
tors. eta vs tors. theta energy: -19.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 294
Temperature: 1.050000
Total energy: -275.440226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.440226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.440226 (E_RNA)
where:
Base-Base interactions energy: -182.219
where: short stacking energy: -68.105
Base-Backbone interact. energy: -2.765
local terms energy: -90.456084
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -20.232
flat angles C4'-P-C4' energy: -19.132
flat angles P-C4'-P energy: -10.745
tors. eta vs tors. theta energy: -25.562
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: 5, replica: 7
=====================================
Write number: 294
Temperature: 1.100000
Total energy: -264.893596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.893596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.893596 (E_RNA)
where:
Base-Base interactions energy: -173.534
where: short stacking energy: -74.164
Base-Backbone interact. energy: -0.453
local terms energy: -90.906722
where:
bonds (distance) C4'-P energy: -19.983
bonds (distance) P-C4' energy: -14.265
flat angles C4'-P-C4' energy: -19.426
flat angles P-C4'-P energy: -11.511
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: 6, replica: 3
=====================================
Write number: 294
Temperature: 1.150000
Total energy: -258.608865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.608865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.608865 (E_RNA)
where:
Base-Base interactions energy: -171.754
where: short stacking energy: -78.532
Base-Backbone interact. energy: -0.039
local terms energy: -86.816096
where:
bonds (distance) C4'-P energy: -19.087
bonds (distance) P-C4' energy: -12.437
flat angles C4'-P-C4' energy: -20.141
flat angles P-C4'-P energy: -10.412
tors. eta vs tors. theta energy: -24.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 294
Temperature: 1.200000
Total energy: -178.867282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.867282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.867282 (E_RNA)
where:
Base-Base interactions energy: -107.731
where: short stacking energy: -50.744
Base-Backbone interact. energy: -0.796
local terms energy: -70.340265
where:
bonds (distance) C4'-P energy: -15.266
bonds (distance) P-C4' energy: -16.401
flat angles C4'-P-C4' energy: -17.439
flat angles P-C4'-P energy: -10.570
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: 8, replica: 1
=====================================
Write number: 294
Temperature: 1.250000
Total energy: -103.396153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.396153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.396153 (E_RNA)
where:
Base-Base interactions energy: -36.967
where: short stacking energy: -33.756
Base-Backbone interact. energy: -0.092
local terms energy: -66.336502
where:
bonds (distance) C4'-P energy: -15.434
bonds (distance) P-C4' energy: -15.139
flat angles C4'-P-C4' energy: -19.288
flat angles P-C4'-P energy: -13.167
tors. eta vs tors. theta energy: -3.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 294
Temperature: 1.300000
Total energy: -89.784439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.784439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.784439 (E_RNA)
where:
Base-Base interactions energy: -33.138
where: short stacking energy: -16.115
Base-Backbone interact. energy: -0.254
local terms energy: -56.391915
where:
bonds (distance) C4'-P energy: -15.607
bonds (distance) P-C4' energy: -17.947
flat angles C4'-P-C4' energy: -12.381
flat angles P-C4'-P energy: -11.804
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: 4
=====================================
Write number: 294
Temperature: 1.350000
Total energy: -89.162144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.162144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.162144 (E_RNA)
where:
Base-Base interactions energy: -39.205
where: short stacking energy: -23.665
Base-Backbone interact. energy: -0.617
local terms energy: -49.341105
where:
bonds (distance) C4'-P energy: -17.828
bonds (distance) P-C4' energy: -6.763
flat angles C4'-P-C4' energy: -15.472
flat angles P-C4'-P energy: -7.077
tors. eta vs tors. theta energy: -2.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 295
Temperature: 0.900000
Total energy: -291.969353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.969353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.969353 (E_RNA)
where:
Base-Base interactions energy: -203.841
where: short stacking energy: -79.362
Base-Backbone interact. energy: -0.123
local terms energy: -88.005362
where:
bonds (distance) C4'-P energy: -15.253
bonds (distance) P-C4' energy: -17.754
flat angles C4'-P-C4' energy: -18.763
flat angles P-C4'-P energy: -13.742
tors. eta vs tors. theta energy: -22.493
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: 5
=====================================
Write number: 295
Temperature: 0.950000
Total energy: -278.118683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.118683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.118683 (E_RNA)
where:
Base-Base interactions energy: -195.294
where: short stacking energy: -79.850
Base-Backbone interact. energy: -0.465
local terms energy: -82.359220
where:
bonds (distance) C4'-P energy: -9.866
bonds (distance) P-C4' energy: -17.154
flat angles C4'-P-C4' energy: -16.856
flat angles P-C4'-P energy: -14.025
tors. eta vs tors. theta energy: -24.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 295
Temperature: 1.000000
Total energy: -272.558874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.558874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.558874 (E_RNA)
where:
Base-Base interactions energy: -182.501
where: short stacking energy: -78.465
Base-Backbone interact. energy: -0.201
local terms energy: -89.856431
where:
bonds (distance) C4'-P energy: -17.391
bonds (distance) P-C4' energy: -19.143
flat angles C4'-P-C4' energy: -20.086
flat angles P-C4'-P energy: -9.214
tors. eta vs tors. theta energy: -24.023
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: 4, replica: 6
=====================================
Write number: 295
Temperature: 1.050000
Total energy: -272.453942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.453942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.453942 (E_RNA)
where:
Base-Base interactions energy: -179.577
where: short stacking energy: -79.160
Base-Backbone interact. energy: -0.332
local terms energy: -92.544946
where:
bonds (distance) C4'-P energy: -15.899
bonds (distance) P-C4' energy: -16.987
flat angles C4'-P-C4' energy: -20.023
flat angles P-C4'-P energy: -14.952
tors. eta vs tors. theta energy: -24.684
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 295
Temperature: 1.100000
Total energy: -261.691029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.691029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.691029 (E_RNA)
where:
Base-Base interactions energy: -172.902
where: short stacking energy: -75.733
Base-Backbone interact. energy: 0.186
local terms energy: -88.975731
where:
bonds (distance) C4'-P energy: -17.526
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -20.453
flat angles P-C4'-P energy: -12.528
tors. eta vs tors. theta energy: -22.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 295
Temperature: 1.150000
Total energy: -172.642997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.642997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.642997 (E_RNA)
where:
Base-Base interactions energy: -97.382
where: short stacking energy: -40.162
Base-Backbone interact. energy: -0.398
local terms energy: -74.863606
where:
bonds (distance) C4'-P energy: -19.136
bonds (distance) P-C4' energy: -17.122
flat angles C4'-P-C4' energy: -20.476
flat angles P-C4'-P energy: -13.592
tors. eta vs tors. theta energy: -4.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 295
Temperature: 1.200000
Total energy: -259.568649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.568649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.568649 (E_RNA)
where:
Base-Base interactions energy: -181.935
where: short stacking energy: -78.531
Base-Backbone interact. energy: -0.019
local terms energy: -77.614403
where:
bonds (distance) C4'-P energy: -10.293
bonds (distance) P-C4' energy: -16.433
flat angles C4'-P-C4' energy: -13.844
flat angles P-C4'-P energy: -12.665
tors. eta vs tors. theta energy: -24.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 295
Temperature: 1.250000
Total energy: -109.461676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.461676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.461676 (E_RNA)
where:
Base-Base interactions energy: -41.275
where: short stacking energy: -38.435
Base-Backbone interact. energy: -1.731
local terms energy: -66.456498
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -14.970
flat angles C4'-P-C4' energy: -14.061
flat angles P-C4'-P energy: -12.443
tors. eta vs tors. theta energy: -9.455
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: 1
=====================================
Write number: 295
Temperature: 1.300000
Total energy: -99.483996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.483996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.483996 (E_RNA)
where:
Base-Base interactions energy: -32.240
where: short stacking energy: -29.937
Base-Backbone interact. energy: 0.323
local terms energy: -67.566745
where:
bonds (distance) C4'-P energy: -17.128
bonds (distance) P-C4' energy: -18.299
flat angles C4'-P-C4' energy: -15.302
flat angles P-C4'-P energy: -11.253
tors. eta vs tors. theta energy: -5.585
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: 4
=====================================
Write number: 295
Temperature: 1.350000
Total energy: -102.828900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.828900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.828900 (E_RNA)
where:
Base-Base interactions energy: -41.539
where: short stacking energy: -34.339
Base-Backbone interact. energy: -0.116
local terms energy: -61.173354
where:
bonds (distance) C4'-P energy: -14.477
bonds (distance) P-C4' energy: -15.420
flat angles C4'-P-C4' energy: -14.551
flat angles P-C4'-P energy: -8.825
tors. eta vs tors. theta energy: -7.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 296
Temperature: 0.900000
Total energy: -285.604017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.604017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.604017 (E_RNA)
where:
Base-Base interactions energy: -195.732
where: short stacking energy: -80.474
Base-Backbone interact. energy: -1.015
local terms energy: -88.857532
where:
bonds (distance) C4'-P energy: -19.774
bonds (distance) P-C4' energy: -12.557
flat angles C4'-P-C4' energy: -15.769
flat angles P-C4'-P energy: -13.718
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: 10
=====================================
Write number: 296
Temperature: 0.950000
Total energy: -289.944565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.944565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.944565 (E_RNA)
where:
Base-Base interactions energy: -201.779
where: short stacking energy: -81.113
Base-Backbone interact. energy: -0.281
local terms energy: -87.884246
where:
bonds (distance) C4'-P energy: -18.702
bonds (distance) P-C4' energy: -19.764
flat angles C4'-P-C4' energy: -16.653
flat angles P-C4'-P energy: -12.883
tors. eta vs tors. theta energy: -19.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 296
Temperature: 1.000000
Total energy: -274.565976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.565976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.565976 (E_RNA)
where:
Base-Base interactions energy: -192.030
where: short stacking energy: -76.547
Base-Backbone interact. energy: -0.530
local terms energy: -82.006650
where:
bonds (distance) C4'-P energy: -14.023
bonds (distance) P-C4' energy: -16.469
flat angles C4'-P-C4' energy: -20.829
flat angles P-C4'-P energy: -6.223
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: 4, replica: 8
=====================================
Write number: 296
Temperature: 1.050000
Total energy: -275.135163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.135163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.135163 (E_RNA)
where:
Base-Base interactions energy: -189.132
where: short stacking energy: -76.188
Base-Backbone interact. energy: -0.724
local terms energy: -85.279553
where:
bonds (distance) C4'-P energy: -14.761
bonds (distance) P-C4' energy: -14.606
flat angles C4'-P-C4' energy: -18.846
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -25.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 296
Temperature: 1.100000
Total energy: -270.698455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.698455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.698455 (E_RNA)
where:
Base-Base interactions energy: -189.060
where: short stacking energy: -76.259
Base-Backbone interact. energy: -0.043
local terms energy: -81.596282
where:
bonds (distance) C4'-P energy: -14.016
bonds (distance) P-C4' energy: -14.943
flat angles C4'-P-C4' energy: -17.092
flat angles P-C4'-P energy: -11.083
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: 6, replica: 9
=====================================
Write number: 296
Temperature: 1.150000
Total energy: -183.879413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.879413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.879413 (E_RNA)
where:
Base-Base interactions energy: -110.590
where: short stacking energy: -41.612
Base-Backbone interact. energy: -0.212
local terms energy: -73.077415
where:
bonds (distance) C4'-P energy: -17.631
bonds (distance) P-C4' energy: -15.767
flat angles C4'-P-C4' energy: -18.116
flat angles P-C4'-P energy: -11.563
tors. eta vs tors. theta energy: -10.000
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: 3
=====================================
Write number: 296
Temperature: 1.200000
Total energy: -257.156078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.156078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.156078 (E_RNA)
where:
Base-Base interactions energy: -180.199
where: short stacking energy: -72.163
Base-Backbone interact. energy: -0.297
local terms energy: -76.660050
where:
bonds (distance) C4'-P energy: -14.557
bonds (distance) P-C4' energy: -11.712
flat angles C4'-P-C4' energy: -17.192
flat angles P-C4'-P energy: -11.657
tors. eta vs tors. theta energy: -21.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 296
Temperature: 1.250000
Total energy: -100.281758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.281758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.281758 (E_RNA)
where:
Base-Base interactions energy: -33.798
where: short stacking energy: -27.293
Base-Backbone interact. energy: -0.277
local terms energy: -66.206321
where:
bonds (distance) C4'-P energy: -17.429
bonds (distance) P-C4' energy: -15.885
flat angles C4'-P-C4' energy: -12.481
flat angles P-C4'-P energy: -9.975
tors. eta vs tors. theta energy: -10.437
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: 1
=====================================
Write number: 296
Temperature: 1.300000
Total energy: -92.097615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.097615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.097615 (E_RNA)
where:
Base-Base interactions energy: -38.760
where: short stacking energy: -37.377
Base-Backbone interact. energy: -0.157
local terms energy: -53.180562
where:
bonds (distance) C4'-P energy: -11.249
bonds (distance) P-C4' energy: -18.018
flat angles C4'-P-C4' energy: -10.040
flat angles P-C4'-P energy: -12.357
tors. eta vs tors. theta energy: -1.518
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 296
Temperature: 1.350000
Total energy: -78.010858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.010858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.010858 (E_RNA)
where:
Base-Base interactions energy: -20.866
where: short stacking energy: -14.227
Base-Backbone interact. energy: -0.656
local terms energy: -56.489338
where:
bonds (distance) C4'-P energy: -18.477
bonds (distance) P-C4' energy: -21.311
flat angles C4'-P-C4' energy: -13.636
flat angles P-C4'-P energy: -9.799
tors. eta vs tors. theta energy: 6.733
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: 5
=====================================
Write number: 297
Temperature: 0.900000
Total energy: -287.587271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.587271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.587271 (E_RNA)
where:
Base-Base interactions energy: -190.351
where: short stacking energy: -82.134
Base-Backbone interact. energy: -0.053
local terms energy: -97.183651
where:
bonds (distance) C4'-P energy: -19.819
bonds (distance) P-C4' energy: -19.383
flat angles C4'-P-C4' energy: -19.430
flat angles P-C4'-P energy: -14.199
tors. eta vs tors. theta energy: -24.353
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: 6
=====================================
Write number: 297
Temperature: 0.950000
Total energy: -286.138116 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.138116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.138116 (E_RNA)
where:
Base-Base interactions energy: -193.710
where: short stacking energy: -78.381
Base-Backbone interact. energy: -2.023
local terms energy: -90.404517
where:
bonds (distance) C4'-P energy: -16.564
bonds (distance) P-C4' energy: -16.892
flat angles C4'-P-C4' energy: -15.976
flat angles P-C4'-P energy: -14.054
tors. eta vs tors. theta energy: -26.918
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 297
Temperature: 1.000000
Total energy: -282.837494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.837494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.837494 (E_RNA)
where:
Base-Base interactions energy: -197.491
where: short stacking energy: -69.122
Base-Backbone interact. energy: -0.101
local terms energy: -85.245415
where:
bonds (distance) C4'-P energy: -12.354
bonds (distance) P-C4' energy: -19.260
flat angles C4'-P-C4' energy: -16.397
flat angles P-C4'-P energy: -14.982
tors. eta vs tors. theta energy: -22.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 297
Temperature: 1.050000
Total energy: -273.987605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.987605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.987605 (E_RNA)
where:
Base-Base interactions energy: -190.061
where: short stacking energy: -80.130
Base-Backbone interact. energy: -0.154
local terms energy: -83.772803
where:
bonds (distance) C4'-P energy: -14.598
bonds (distance) P-C4' energy: -15.176
flat angles C4'-P-C4' energy: -19.701
flat angles P-C4'-P energy: -11.493
tors. eta vs tors. theta energy: -22.804
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 297
Temperature: 1.100000
Total energy: -273.272695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.272695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.272695 (E_RNA)
where:
Base-Base interactions energy: -185.173
where: short stacking energy: -81.935
Base-Backbone interact. energy: -0.004
local terms energy: -88.095117
where:
bonds (distance) C4'-P energy: -16.043
bonds (distance) P-C4' energy: -18.283
flat angles C4'-P-C4' energy: -16.627
flat angles P-C4'-P energy: -13.150
tors. eta vs tors. theta energy: -23.992
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 297
Temperature: 1.150000
Total energy: -258.784928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.784928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.784928 (E_RNA)
where:
Base-Base interactions energy: -179.748
where: short stacking energy: -67.881
Base-Backbone interact. energy: -0.803
local terms energy: -78.233810
where:
bonds (distance) C4'-P energy: -13.410
bonds (distance) P-C4' energy: -15.182
flat angles C4'-P-C4' energy: -17.726
flat angles P-C4'-P energy: -11.803
tors. eta vs tors. theta energy: -20.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 297
Temperature: 1.200000
Total energy: -168.076631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.076631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.076631 (E_RNA)
where:
Base-Base interactions energy: -101.524
where: short stacking energy: -41.913
Base-Backbone interact. energy: -0.395
local terms energy: -66.157138
where:
bonds (distance) C4'-P energy: -15.902
bonds (distance) P-C4' energy: -13.919
flat angles C4'-P-C4' energy: -12.415
flat angles P-C4'-P energy: -11.180
tors. eta vs tors. theta energy: -12.741
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: 1
=====================================
Write number: 297
Temperature: 1.250000
Total energy: -108.895264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -108.895264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -108.895264 (E_RNA)
where:
Base-Base interactions energy: -49.836
where: short stacking energy: -32.193
Base-Backbone interact. energy: 1.211
local terms energy: -60.270736
where:
bonds (distance) C4'-P energy: -14.102
bonds (distance) P-C4' energy: -16.928
flat angles C4'-P-C4' energy: -15.793
flat angles P-C4'-P energy: -9.887
tors. eta vs tors. theta energy: -3.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 297
Temperature: 1.300000
Total energy: -97.791941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.791941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.791941 (E_RNA)
where:
Base-Base interactions energy: -39.093
where: short stacking energy: -37.137
Base-Backbone interact. energy: -0.105
local terms energy: -58.593677
where:
bonds (distance) C4'-P energy: -11.719
bonds (distance) P-C4' energy: -14.776
flat angles C4'-P-C4' energy: -16.353
flat angles P-C4'-P energy: -8.293
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: 4
=====================================
Write number: 297
Temperature: 1.350000
Total energy: -95.638776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.638776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.638776 (E_RNA)
where:
Base-Base interactions energy: -44.460
where: short stacking energy: -35.736
Base-Backbone interact. energy: -0.086
local terms energy: -51.093306
where:
bonds (distance) C4'-P energy: -13.415
bonds (distance) P-C4' energy: -16.329
flat angles C4'-P-C4' energy: -11.047
flat angles P-C4'-P energy: -2.852
tors. eta vs tors. theta energy: -7.451
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 298
Temperature: 0.900000
Total energy: -288.185711 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.185711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.185711 (E_RNA)
where:
Base-Base interactions energy: -187.358
where: short stacking energy: -78.465
Base-Backbone interact. energy: -0.391
local terms energy: -100.436133
where:
bonds (distance) C4'-P energy: -19.376
bonds (distance) P-C4' energy: -20.567
flat angles C4'-P-C4' energy: -18.188
flat angles P-C4'-P energy: -16.046
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: 6
=====================================
Write number: 298
Temperature: 0.950000
Total energy: -280.666505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.666505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.666505 (E_RNA)
where:
Base-Base interactions energy: -191.331
where: short stacking energy: -76.750
Base-Backbone interact. energy: -0.378
local terms energy: -88.957323
where:
bonds (distance) C4'-P energy: -17.393
bonds (distance) P-C4' energy: -17.182
flat angles C4'-P-C4' energy: -21.003
flat angles P-C4'-P energy: -11.814
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: 3, replica: 8
=====================================
Write number: 298
Temperature: 1.000000
Total energy: -291.579492 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.579492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.579492 (E_RNA)
where:
Base-Base interactions energy: -201.211
where: short stacking energy: -78.359
Base-Backbone interact. energy: -0.447
local terms energy: -89.920856
where:
bonds (distance) C4'-P energy: -12.740
bonds (distance) P-C4' energy: -21.797
flat angles C4'-P-C4' energy: -18.764
flat angles P-C4'-P energy: -15.499
tors. eta vs tors. theta energy: -21.121
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: 4, replica: 10
=====================================
Write number: 298
Temperature: 1.050000
Total energy: -272.159482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.159482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.159482 (E_RNA)
where:
Base-Base interactions energy: -188.730
where: short stacking energy: -72.386
Base-Backbone interact. energy: -0.042
local terms energy: -83.387917
where:
bonds (distance) C4'-P energy: -16.296
bonds (distance) P-C4' energy: -18.589
flat angles C4'-P-C4' energy: -19.959
flat angles P-C4'-P energy: -10.053
tors. eta vs tors. theta energy: -18.491
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 298
Temperature: 1.100000
Total energy: -266.451882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.451882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.451882 (E_RNA)
where:
Base-Base interactions energy: -176.661
where: short stacking energy: -73.303
Base-Backbone interact. energy: -2.338
local terms energy: -87.453042
where:
bonds (distance) C4'-P energy: -17.818
bonds (distance) P-C4' energy: -13.707
flat angles C4'-P-C4' energy: -16.985
flat angles P-C4'-P energy: -13.695
tors. eta vs tors. theta energy: -25.248
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: 6, replica: 7
=====================================
Write number: 298
Temperature: 1.150000
Total energy: -258.360034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.360034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.360034 (E_RNA)
where:
Base-Base interactions energy: -182.784
where: short stacking energy: -76.066
Base-Backbone interact. energy: -0.134
local terms energy: -75.442657
where:
bonds (distance) C4'-P energy: -7.188
bonds (distance) P-C4' energy: -17.934
flat angles C4'-P-C4' energy: -16.987
flat angles P-C4'-P energy: -9.758
tors. eta vs tors. theta energy: -23.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 298
Temperature: 1.200000
Total energy: -177.366156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.366156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.366156 (E_RNA)
where:
Base-Base interactions energy: -111.348
where: short stacking energy: -57.819
Base-Backbone interact. energy: -0.288
local terms energy: -65.730516
where:
bonds (distance) C4'-P energy: -14.888
bonds (distance) P-C4' energy: -13.202
flat angles C4'-P-C4' energy: -13.061
flat angles P-C4'-P energy: -8.590
tors. eta vs tors. theta energy: -15.989
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 298
Temperature: 1.250000
Total energy: -94.839890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.839890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.839890 (E_RNA)
where:
Base-Base interactions energy: -41.745
where: short stacking energy: -22.042
Base-Backbone interact. energy: -0.061
local terms energy: -53.033574
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -15.567
flat angles C4'-P-C4' energy: -12.140
flat angles P-C4'-P energy: -6.492
tors. eta vs tors. theta energy: -1.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 298
Temperature: 1.300000
Total energy: -83.927264 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.927264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.927264 (E_RNA)
where:
Base-Base interactions energy: -25.737
where: short stacking energy: -23.953
Base-Backbone interact. energy: -0.288
local terms energy: -57.902658
where:
bonds (distance) C4'-P energy: -12.948
bonds (distance) P-C4' energy: -16.786
flat angles C4'-P-C4' energy: -14.881
flat angles P-C4'-P energy: -13.566
tors. eta vs tors. theta energy: 0.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 298
Temperature: 1.350000
Total energy: -86.693455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.693455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.693455 (E_RNA)
where:
Base-Base interactions energy: -21.876
where: short stacking energy: -21.675
Base-Backbone interact. energy: -0.157
local terms energy: -64.660045
where:
bonds (distance) C4'-P energy: -20.089
bonds (distance) P-C4' energy: -17.692
flat angles C4'-P-C4' energy: -16.766
flat angles P-C4'-P energy: -10.040
tors. eta vs tors. theta energy: -0.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 299
Temperature: 0.900000
Total energy: -291.899687 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.899687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.899687 (E_RNA)
where:
Base-Base interactions energy: -195.042
where: short stacking energy: -80.809
Base-Backbone interact. energy: -1.098
local terms energy: -95.759142
where:
bonds (distance) C4'-P energy: -18.014
bonds (distance) P-C4' energy: -20.541
flat angles C4'-P-C4' energy: -19.160
flat angles P-C4'-P energy: -12.697
tors. eta vs tors. theta energy: -25.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 299
Temperature: 0.950000
Total energy: -284.232252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.232252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.232252 (E_RNA)
where:
Base-Base interactions energy: -193.610
where: short stacking energy: -75.863
Base-Backbone interact. energy: -1.267
local terms energy: -89.355636
where:
bonds (distance) C4'-P energy: -17.269
bonds (distance) P-C4' energy: -17.125
flat angles C4'-P-C4' energy: -19.693
flat angles P-C4'-P energy: -14.228
tors. eta vs tors. theta energy: -21.040
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: 6
=====================================
Write number: 299
Temperature: 1.000000
Total energy: -288.715828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.715828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.715828 (E_RNA)
where:
Base-Base interactions energy: -189.144
where: short stacking energy: -80.511
Base-Backbone interact. energy: -0.006
local terms energy: -99.565996
where:
bonds (distance) C4'-P energy: -18.059
bonds (distance) P-C4' energy: -20.225
flat angles C4'-P-C4' energy: -20.554
flat angles P-C4'-P energy: -13.945
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: 4, replica: 3
=====================================
Write number: 299
Temperature: 1.050000
Total energy: -270.455735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.455735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.455735 (E_RNA)
where:
Base-Base interactions energy: -183.033
where: short stacking energy: -74.951
Base-Backbone interact. energy: -0.232
local terms energy: -87.190568
where:
bonds (distance) C4'-P energy: -14.848
bonds (distance) P-C4' energy: -13.257
flat angles C4'-P-C4' energy: -20.490
flat angles P-C4'-P energy: -15.928
tors. eta vs tors. theta energy: -22.667
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: 10
=====================================
Write number: 299
Temperature: 1.100000
Total energy: -265.732441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.732441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.732441 (E_RNA)
where:
Base-Base interactions energy: -184.495
where: short stacking energy: -70.296
Base-Backbone interact. energy: -0.271
local terms energy: -80.966125
where:
bonds (distance) C4'-P energy: -17.293
bonds (distance) P-C4' energy: -13.305
flat angles C4'-P-C4' energy: -17.749
flat angles P-C4'-P energy: -13.594
tors. eta vs tors. theta energy: -19.026
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 299
Temperature: 1.150000
Total energy: -263.244968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.244968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.244968 (E_RNA)
where:
Base-Base interactions energy: -185.668
where: short stacking energy: -75.483
Base-Backbone interact. energy: -0.150
local terms energy: -77.426616
where:
bonds (distance) C4'-P energy: -14.933
bonds (distance) P-C4' energy: -14.475
flat angles C4'-P-C4' energy: -15.667
flat angles P-C4'-P energy: -9.519
tors. eta vs tors. theta energy: -22.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 299
Temperature: 1.200000
Total energy: -168.862846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.862846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.862846 (E_RNA)
where:
Base-Base interactions energy: -95.041
where: short stacking energy: -44.545
Base-Backbone interact. energy: -0.073
local terms energy: -73.748625
where:
bonds (distance) C4'-P energy: -16.089
bonds (distance) P-C4' energy: -10.958
flat angles C4'-P-C4' energy: -20.963
flat angles P-C4'-P energy: -14.880
tors. eta vs tors. theta energy: -10.859
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: 4
=====================================
Write number: 299
Temperature: 1.250000
Total energy: -103.692938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.692938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.692938 (E_RNA)
where:
Base-Base interactions energy: -38.806
where: short stacking energy: -38.806
Base-Backbone interact. energy: -0.203
local terms energy: -64.684483
where:
bonds (distance) C4'-P energy: -12.157
bonds (distance) P-C4' energy: -15.015
flat angles C4'-P-C4' energy: -16.563
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: -12.015
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: 1
=====================================
Write number: 299
Temperature: 1.300000
Total energy: -101.782129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.782129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.782129 (E_RNA)
where:
Base-Base interactions energy: -47.174
where: short stacking energy: -44.701
Base-Backbone interact. energy: -0.248
local terms energy: -54.360282
where:
bonds (distance) C4'-P energy: -11.245
bonds (distance) P-C4' energy: -16.794
flat angles C4'-P-C4' energy: -16.685
flat angles P-C4'-P energy: -3.637
tors. eta vs tors. theta energy: -5.999
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: 2
=====================================
Write number: 299
Temperature: 1.350000
Total energy: -94.089522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.089522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.089522 (E_RNA)
where:
Base-Base interactions energy: -40.659
where: short stacking energy: -30.460
Base-Backbone interact. energy: 0.595
local terms energy: -54.025102
where:
bonds (distance) C4'-P energy: -9.305
bonds (distance) P-C4' energy: -19.246
flat angles C4'-P-C4' energy: -16.611
flat angles P-C4'-P energy: -13.378
tors. eta vs tors. theta energy: 4.514
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 300
Temperature: 0.900000
Total energy: -289.393868 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.393868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.393868 (E_RNA)
where:
Base-Base interactions energy: -201.721
where: short stacking energy: -78.982
Base-Backbone interact. energy: -0.876
local terms energy: -86.796407
where:
bonds (distance) C4'-P energy: -18.398
bonds (distance) P-C4' energy: -16.335
flat angles C4'-P-C4' energy: -17.869
flat angles P-C4'-P energy: -11.299
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: 2, replica: 8
=====================================
Write number: 300
Temperature: 0.950000
Total energy: -280.637713 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.637713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.637713 (E_RNA)
where:
Base-Base interactions energy: -192.370
where: short stacking energy: -78.171
Base-Backbone interact. energy: -0.193
local terms energy: -88.074703
where:
bonds (distance) C4'-P energy: -17.232
bonds (distance) P-C4' energy: -20.133
flat angles C4'-P-C4' energy: -18.906
flat angles P-C4'-P energy: -12.936
tors. eta vs tors. theta energy: -18.867
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: 3, replica: 6
=====================================
Write number: 300
Temperature: 1.000000
Total energy: -280.639563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.639563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.639563 (E_RNA)
where:
Base-Base interactions energy: -189.127
where: short stacking energy: -76.874
Base-Backbone interact. energy: 0.552
local terms energy: -92.064387
where:
bonds (distance) C4'-P energy: -17.270
bonds (distance) P-C4' energy: -17.325
flat angles C4'-P-C4' energy: -18.865
flat angles P-C4'-P energy: -14.270
tors. eta vs tors. theta energy: -24.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 300
Temperature: 1.050000
Total energy: -268.241103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.241103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.241103 (E_RNA)
where:
Base-Base interactions energy: -174.495
where: short stacking energy: -74.848
Base-Backbone interact. energy: -0.542
local terms energy: -93.203499
where:
bonds (distance) C4'-P energy: -17.129
bonds (distance) P-C4' energy: -20.631
flat angles C4'-P-C4' energy: -18.759
flat angles P-C4'-P energy: -11.562
tors. eta vs tors. theta energy: -25.124
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: 7
=====================================
Write number: 300
Temperature: 1.100000
Total energy: -262.231832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.231832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.231832 (E_RNA)
where:
Base-Base interactions energy: -174.121
where: short stacking energy: -69.293
Base-Backbone interact. energy: -0.104
local terms energy: -88.007161
where:
bonds (distance) C4'-P energy: -19.980
bonds (distance) P-C4' energy: -18.696
flat angles C4'-P-C4' energy: -14.686
flat angles P-C4'-P energy: -13.243
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: 6, replica: 10
=====================================
Write number: 300
Temperature: 1.150000
Total energy: -265.554706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.554706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.554706 (E_RNA)
where:
Base-Base interactions energy: -182.130
where: short stacking energy: -71.833
Base-Backbone interact. energy: -0.056
local terms energy: -83.368977
where:
bonds (distance) C4'-P energy: -11.910
bonds (distance) P-C4' energy: -15.954
flat angles C4'-P-C4' energy: -16.507
flat angles P-C4'-P energy: -14.867
tors. eta vs tors. theta energy: -24.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 300
Temperature: 1.200000
Total energy: -167.486721 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.486721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.486721 (E_RNA)
where:
Base-Base interactions energy: -102.932
where: short stacking energy: -56.738
Base-Backbone interact. energy: -0.011
local terms energy: -64.542904
where:
bonds (distance) C4'-P energy: -13.008
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -14.525
flat angles P-C4'-P energy: -10.824
tors. eta vs tors. theta energy: -9.899
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 300
Temperature: 1.250000
Total energy: -90.183709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.183709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.183709 (E_RNA)
where:
Base-Base interactions energy: -31.540
where: short stacking energy: -22.634
Base-Backbone interact. energy: -0.205
local terms energy: -58.438691
where:
bonds (distance) C4'-P energy: -13.158
bonds (distance) P-C4' energy: -16.269
flat angles C4'-P-C4' energy: -17.375
flat angles P-C4'-P energy: -11.708
tors. eta vs tors. theta energy: 0.072
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 300
Temperature: 1.300000
Total energy: -98.753458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.753458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.753458 (E_RNA)
where:
Base-Base interactions energy: -38.337
where: short stacking energy: -30.565
Base-Backbone interact. energy: -0.164
local terms energy: -60.252136
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -12.606
flat angles C4'-P-C4' energy: -14.711
flat angles P-C4'-P energy: -14.358
tors. eta vs tors. theta energy: -2.874
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 300
Temperature: 1.350000
Total energy: -95.926056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.926056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.926056 (E_RNA)
where:
Base-Base interactions energy: -37.070
where: short stacking energy: -37.070
Base-Backbone interact. energy: -0.397
local terms energy: -58.459068
where:
bonds (distance) C4'-P energy: -17.769
bonds (distance) P-C4' energy: -12.687
flat angles C4'-P-C4' energy: -13.462
flat angles P-C4'-P energy: -10.396
tors. eta vs tors. theta energy: -4.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 301
Temperature: 0.900000
Total energy: -283.385991 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.385991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.385991 (E_RNA)
where:
Base-Base interactions energy: -191.660
where: short stacking energy: -78.856
Base-Backbone interact. energy: -0.063
local terms energy: -91.662843
where:
bonds (distance) C4'-P energy: -13.756
bonds (distance) P-C4' energy: -17.965
flat angles C4'-P-C4' energy: -21.257
flat angles P-C4'-P energy: -11.828
tors. eta vs tors. theta energy: -26.856
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 301
Temperature: 0.950000
Total energy: -286.996412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.996412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.996412 (E_RNA)
where:
Base-Base interactions energy: -198.699
where: short stacking energy: -80.372
Base-Backbone interact. energy: -0.549
local terms energy: -87.748523
where:
bonds (distance) C4'-P energy: -15.803
bonds (distance) P-C4' energy: -17.446
flat angles C4'-P-C4' energy: -17.709
flat angles P-C4'-P energy: -10.180
tors. eta vs tors. theta energy: -26.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 301
Temperature: 1.000000
Total energy: -272.396523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.396523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.396523 (E_RNA)
where:
Base-Base interactions energy: -183.259
where: short stacking energy: -67.694
Base-Backbone interact. energy: -1.069
local terms energy: -88.068499
where:
bonds (distance) C4'-P energy: -15.244
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -17.210
flat angles P-C4'-P energy: -14.467
tors. eta vs tors. theta energy: -21.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 301
Temperature: 1.050000
Total energy: -271.722329 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.722329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.722329 (E_RNA)
where:
Base-Base interactions energy: -189.589
where: short stacking energy: -76.335
Base-Backbone interact. energy: -1.056
local terms energy: -81.077303
where:
bonds (distance) C4'-P energy: -16.506
bonds (distance) P-C4' energy: -16.121
flat angles C4'-P-C4' energy: -16.620
flat angles P-C4'-P energy: -8.504
tors. eta vs tors. theta energy: -23.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 301
Temperature: 1.100000
Total energy: -269.068718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.068718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.068718 (E_RNA)
where:
Base-Base interactions energy: -182.777
where: short stacking energy: -74.358
Base-Backbone interact. energy: -0.249
local terms energy: -86.043264
where:
bonds (distance) C4'-P energy: -13.609
bonds (distance) P-C4' energy: -19.256
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -13.220
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: 6, replica: 10
=====================================
Write number: 301
Temperature: 1.150000
Total energy: -268.792146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.792146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.792146 (E_RNA)
where:
Base-Base interactions energy: -184.389
where: short stacking energy: -69.802
Base-Backbone interact. energy: -0.104
local terms energy: -84.299240
where:
bonds (distance) C4'-P energy: -14.980
bonds (distance) P-C4' energy: -17.467
flat angles C4'-P-C4' energy: -20.908
flat angles P-C4'-P energy: -11.501
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: 7, replica: 9
=====================================
Write number: 301
Temperature: 1.200000
Total energy: -147.376558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.376558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.376558 (E_RNA)
where:
Base-Base interactions energy: -87.242
where: short stacking energy: -40.646
Base-Backbone interact. energy: -1.849
local terms energy: -58.285728
where:
bonds (distance) C4'-P energy: -18.221
bonds (distance) P-C4' energy: -11.117
flat angles C4'-P-C4' energy: -15.752
flat angles P-C4'-P energy: -8.228
tors. eta vs tors. theta energy: -4.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 301
Temperature: 1.250000
Total energy: -96.778495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.778495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.778495 (E_RNA)
where:
Base-Base interactions energy: -35.158
where: short stacking energy: -34.697
Base-Backbone interact. energy: -0.124
local terms energy: -61.496578
where:
bonds (distance) C4'-P energy: -14.774
bonds (distance) P-C4' energy: -12.474
flat angles C4'-P-C4' energy: -14.695
flat angles P-C4'-P energy: -13.249
tors. eta vs tors. theta energy: -6.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 301
Temperature: 1.300000
Total energy: -86.055371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.055371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.055371 (E_RNA)
where:
Base-Base interactions energy: -38.538
where: short stacking energy: -38.538
Base-Backbone interact. energy: 2.146
local terms energy: -49.664117
where:
bonds (distance) C4'-P energy: -10.822
bonds (distance) P-C4' energy: -15.780
flat angles C4'-P-C4' energy: -12.119
flat angles P-C4'-P energy: -10.246
tors. eta vs tors. theta energy: -0.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 301
Temperature: 1.350000
Total energy: -83.072630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.072630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.072630 (E_RNA)
where:
Base-Base interactions energy: -26.998
where: short stacking energy: -26.998
Base-Backbone interact. energy: -0.406
local terms energy: -55.668051
where:
bonds (distance) C4'-P energy: -17.988
bonds (distance) P-C4' energy: -14.919
flat angles C4'-P-C4' energy: -15.614
flat angles P-C4'-P energy: -7.375
tors. eta vs tors. theta energy: 0.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 302
Temperature: 0.900000
Total energy: -289.983462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.983462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.983462 (E_RNA)
where:
Base-Base interactions energy: -194.898
where: short stacking energy: -83.529
Base-Backbone interact. energy: -0.101
local terms energy: -94.984876
where:
bonds (distance) C4'-P energy: -18.919
bonds (distance) P-C4' energy: -20.112
flat angles C4'-P-C4' energy: -20.566
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: -25.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 302
Temperature: 0.950000
Total energy: -286.789795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.789795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.789795 (E_RNA)
where:
Base-Base interactions energy: -199.609
where: short stacking energy: -81.280
Base-Backbone interact. energy: -0.134
local terms energy: -87.046641
where:
bonds (distance) C4'-P energy: -16.104
bonds (distance) P-C4' energy: -14.950
flat angles C4'-P-C4' energy: -19.249
flat angles P-C4'-P energy: -9.592
tors. eta vs tors. theta energy: -27.152
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: 7
=====================================
Write number: 302
Temperature: 1.000000
Total energy: -281.844436 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.844436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.844436 (E_RNA)
where:
Base-Base interactions energy: -187.452
where: short stacking energy: -76.847
Base-Backbone interact. energy: -0.916
local terms energy: -93.476515
where:
bonds (distance) C4'-P energy: -19.910
bonds (distance) P-C4' energy: -16.967
flat angles C4'-P-C4' energy: -17.733
flat angles P-C4'-P energy: -14.400
tors. eta vs tors. theta energy: -24.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 302
Temperature: 1.050000
Total energy: -270.676483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.676483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.676483 (E_RNA)
where:
Base-Base interactions energy: -197.008
where: short stacking energy: -80.550
Base-Backbone interact. energy: -0.108
local terms energy: -73.560655
where:
bonds (distance) C4'-P energy: -7.711
bonds (distance) P-C4' energy: -13.772
flat angles C4'-P-C4' energy: -17.487
flat angles P-C4'-P energy: -14.281
tors. eta vs tors. theta energy: -20.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 302
Temperature: 1.100000
Total energy: -272.601379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.601379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.601379 (E_RNA)
where:
Base-Base interactions energy: -184.904
where: short stacking energy: -70.490
Base-Backbone interact. energy: -0.002
local terms energy: -87.695532
where:
bonds (distance) C4'-P energy: -19.798
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -16.399
flat angles P-C4'-P energy: -10.841
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: 6, replica: 3
=====================================
Write number: 302
Temperature: 1.150000
Total energy: -254.120796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.120796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.120796 (E_RNA)
where:
Base-Base interactions energy: -166.503
where: short stacking energy: -74.460
Base-Backbone interact. energy: -0.012
local terms energy: -87.606486
where:
bonds (distance) C4'-P energy: -19.115
bonds (distance) P-C4' energy: -15.801
flat angles C4'-P-C4' energy: -16.955
flat angles P-C4'-P energy: -15.720
tors. eta vs tors. theta energy: -20.015
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 302
Temperature: 1.200000
Total energy: -142.490993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -142.490993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -142.490993 (E_RNA)
where:
Base-Base interactions energy: -82.844
where: short stacking energy: -35.636
Base-Backbone interact. energy: -0.352
local terms energy: -59.294691
where:
bonds (distance) C4'-P energy: -13.374
bonds (distance) P-C4' energy: -18.111
flat angles C4'-P-C4' energy: -15.479
flat angles P-C4'-P energy: -10.494
tors. eta vs tors. theta energy: -1.837
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: 2
=====================================
Write number: 302
Temperature: 1.250000
Total energy: -87.796650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.796650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.796650 (E_RNA)
where:
Base-Base interactions energy: -26.741
where: short stacking energy: -19.787
Base-Backbone interact. energy: -0.314
local terms energy: -60.741053
where:
bonds (distance) C4'-P energy: -18.679
bonds (distance) P-C4' energy: -12.126
flat angles C4'-P-C4' energy: -15.085
flat angles P-C4'-P energy: -10.708
tors. eta vs tors. theta energy: -4.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 302
Temperature: 1.300000
Total energy: -99.074875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.074875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.074875 (E_RNA)
where:
Base-Base interactions energy: -46.598
where: short stacking energy: -34.282
Base-Backbone interact. energy: -0.204
local terms energy: -52.272766
where:
bonds (distance) C4'-P energy: -8.161
bonds (distance) P-C4' energy: -18.009
flat angles C4'-P-C4' energy: -10.689
flat angles P-C4'-P energy: -10.947
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: 10, replica: 4
=====================================
Write number: 302
Temperature: 1.350000
Total energy: -77.213684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.213684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.213684 (E_RNA)
where:
Base-Base interactions energy: -22.189
where: short stacking energy: -22.189
Base-Backbone interact. energy: -0.056
local terms energy: -54.969082
where:
bonds (distance) C4'-P energy: -16.872
bonds (distance) P-C4' energy: -19.282
flat angles C4'-P-C4' energy: -10.994
flat angles P-C4'-P energy: -5.479
tors. eta vs tors. theta energy: -2.343
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 303
Temperature: 0.900000
Total energy: -289.810175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.810175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.810175 (E_RNA)
where:
Base-Base interactions energy: -191.327
where: short stacking energy: -78.186
Base-Backbone interact. energy: -0.019
local terms energy: -98.464098
where:
bonds (distance) C4'-P energy: -20.618
bonds (distance) P-C4' energy: -17.484
flat angles C4'-P-C4' energy: -21.306
flat angles P-C4'-P energy: -14.950
tors. eta vs tors. theta energy: -24.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 303
Temperature: 0.950000
Total energy: -289.472300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.472300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.472300 (E_RNA)
where:
Base-Base interactions energy: -196.317
where: short stacking energy: -82.714
Base-Backbone interact. energy: 0.150
local terms energy: -93.305646
where:
bonds (distance) C4'-P energy: -15.771
bonds (distance) P-C4' energy: -19.088
flat angles C4'-P-C4' energy: -18.383
flat angles P-C4'-P energy: -13.825
tors. eta vs tors. theta energy: -26.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 303
Temperature: 1.000000
Total energy: -276.143410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.143410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.143410 (E_RNA)
where:
Base-Base interactions energy: -187.979
where: short stacking energy: -81.332
Base-Backbone interact. energy: -0.025
local terms energy: -88.139488
where:
bonds (distance) C4'-P energy: -19.637
bonds (distance) P-C4' energy: -13.814
flat angles C4'-P-C4' energy: -18.611
flat angles P-C4'-P energy: -11.370
tors. eta vs tors. theta energy: -24.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 303
Temperature: 1.050000
Total energy: -276.307640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.307640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.307640 (E_RNA)
where:
Base-Base interactions energy: -185.921
where: short stacking energy: -73.162
Base-Backbone interact. energy: -0.108
local terms energy: -90.278188
where:
bonds (distance) C4'-P energy: -17.960
bonds (distance) P-C4' energy: -19.794
flat angles C4'-P-C4' energy: -20.547
flat angles P-C4'-P energy: -12.856
tors. eta vs tors. theta energy: -19.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 303
Temperature: 1.100000
Total energy: -268.183424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.183424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.183424 (E_RNA)
where:
Base-Base interactions energy: -178.047
where: short stacking energy: -77.385
Base-Backbone interact. energy: -0.442
local terms energy: -89.694850
where:
bonds (distance) C4'-P energy: -14.793
bonds (distance) P-C4' energy: -21.293
flat angles C4'-P-C4' energy: -17.166
flat angles P-C4'-P energy: -13.008
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: 6, replica: 3
=====================================
Write number: 303
Temperature: 1.150000
Total energy: -265.144385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.144385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.144385 (E_RNA)
where:
Base-Base interactions energy: -182.010
where: short stacking energy: -77.850
Base-Backbone interact. energy: -0.789
local terms energy: -82.345863
where:
bonds (distance) C4'-P energy: -16.416
bonds (distance) P-C4' energy: -18.137
flat angles C4'-P-C4' energy: -16.660
flat angles P-C4'-P energy: -10.420
tors. eta vs tors. theta energy: -20.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 303
Temperature: 1.200000
Total energy: -171.628609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.628609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.628609 (E_RNA)
where:
Base-Base interactions energy: -92.914
where: short stacking energy: -53.678
Base-Backbone interact. energy: -0.661
local terms energy: -78.053665
where:
bonds (distance) C4'-P energy: -16.254
bonds (distance) P-C4' energy: -19.532
flat angles C4'-P-C4' energy: -17.005
flat angles P-C4'-P energy: -16.786
tors. eta vs tors. theta energy: -8.477
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 303
Temperature: 1.250000
Total energy: -94.200187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.200187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.200187 (E_RNA)
where:
Base-Base interactions energy: -32.701
where: short stacking energy: -21.389
Base-Backbone interact. energy: -1.437
local terms energy: -60.061786
where:
bonds (distance) C4'-P energy: -11.739
bonds (distance) P-C4' energy: -17.848
flat angles C4'-P-C4' energy: -20.445
flat angles P-C4'-P energy: -11.246
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: 9, replica: 2
=====================================
Write number: 303
Temperature: 1.300000
Total energy: -83.794373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.794373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.794373 (E_RNA)
where:
Base-Base interactions energy: -31.844
where: short stacking energy: -27.943
Base-Backbone interact. energy: 0.941
local terms energy: -52.891572
where:
bonds (distance) C4'-P energy: -17.805
bonds (distance) P-C4' energy: -12.171
flat angles C4'-P-C4' energy: -9.295
flat angles P-C4'-P energy: -11.104
tors. eta vs tors. theta energy: -2.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 303
Temperature: 1.350000
Total energy: -84.939750 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.939750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.939750 (E_RNA)
where:
Base-Base interactions energy: -31.046
where: short stacking energy: -25.176
Base-Backbone interact. energy: 1.274
local terms energy: -55.167839
where:
bonds (distance) C4'-P energy: -10.059
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -18.853
flat angles P-C4'-P energy: -7.898
tors. eta vs tors. theta energy: -3.533
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 304
Temperature: 0.900000
Total energy: -282.251715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.251715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.251715 (E_RNA)
where:
Base-Base interactions energy: -184.349
where: short stacking energy: -83.327
Base-Backbone interact. energy: -0.000
local terms energy: -97.902177
where:
bonds (distance) C4'-P energy: -17.285
bonds (distance) P-C4' energy: -19.930
flat angles C4'-P-C4' energy: -21.815
flat angles P-C4'-P energy: -12.727
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: 7
=====================================
Write number: 304
Temperature: 0.950000
Total energy: -285.866370 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.866370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.866370 (E_RNA)
where:
Base-Base interactions energy: -194.139
where: short stacking energy: -79.072
Base-Backbone interact. energy: -0.287
local terms energy: -91.440513
where:
bonds (distance) C4'-P energy: -17.108
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -17.319
flat angles P-C4'-P energy: -12.988
tors. eta vs tors. theta energy: -26.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 304
Temperature: 1.000000
Total energy: -279.035616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.035616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.035616 (E_RNA)
where:
Base-Base interactions energy: -193.271
where: short stacking energy: -65.302
Base-Backbone interact. energy: -0.197
local terms energy: -85.567906
where:
bonds (distance) C4'-P energy: -15.918
bonds (distance) P-C4' energy: -17.757
flat angles C4'-P-C4' energy: -18.558
flat angles P-C4'-P energy: -13.029
tors. eta vs tors. theta energy: -20.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 304
Temperature: 1.050000
Total energy: -278.244578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.244578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.244578 (E_RNA)
where:
Base-Base interactions energy: -190.204
where: short stacking energy: -85.010
Base-Backbone interact. energy: -0.002
local terms energy: -88.039018
where:
bonds (distance) C4'-P energy: -19.392
bonds (distance) P-C4' energy: -13.192
flat angles C4'-P-C4' energy: -18.637
flat angles P-C4'-P energy: -13.642
tors. eta vs tors. theta energy: -23.176
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: 8
=====================================
Write number: 304
Temperature: 1.100000
Total energy: -263.950637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.950637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.950637 (E_RNA)
where:
Base-Base interactions energy: -183.013
where: short stacking energy: -71.575
Base-Backbone interact. energy: -0.175
local terms energy: -80.762183
where:
bonds (distance) C4'-P energy: -11.693
bonds (distance) P-C4' energy: -12.107
flat angles C4'-P-C4' energy: -21.423
flat angles P-C4'-P energy: -17.716
tors. eta vs tors. theta energy: -17.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 304
Temperature: 1.150000
Total energy: -261.180885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.180885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.180885 (E_RNA)
where:
Base-Base interactions energy: -177.189
where: short stacking energy: -73.307
Base-Backbone interact. energy: -0.054
local terms energy: -83.938360
where:
bonds (distance) C4'-P energy: -13.622
bonds (distance) P-C4' energy: -18.646
flat angles C4'-P-C4' energy: -15.595
flat angles P-C4'-P energy: -11.549
tors. eta vs tors. theta energy: -24.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 304
Temperature: 1.200000
Total energy: -155.316973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.316973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.316973 (E_RNA)
where:
Base-Base interactions energy: -98.573
where: short stacking energy: -48.806
Base-Backbone interact. energy: -0.315
local terms energy: -56.429660
where:
bonds (distance) C4'-P energy: -14.826
bonds (distance) P-C4' energy: -9.864
flat angles C4'-P-C4' energy: -19.027
flat angles P-C4'-P energy: -7.719
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: 8, replica: 1
=====================================
Write number: 304
Temperature: 1.250000
Total energy: -88.601341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.601341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.601341 (E_RNA)
where:
Base-Base interactions energy: -27.411
where: short stacking energy: -25.280
Base-Backbone interact. energy: -0.577
local terms energy: -60.612568
where:
bonds (distance) C4'-P energy: -16.255
bonds (distance) P-C4' energy: -18.625
flat angles C4'-P-C4' energy: -14.836
flat angles P-C4'-P energy: -11.959
tors. eta vs tors. theta energy: 1.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 304
Temperature: 1.300000
Total energy: -87.181022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.181022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.181022 (E_RNA)
where:
Base-Base interactions energy: -40.692
where: short stacking energy: -26.469
Base-Backbone interact. energy: -0.867
local terms energy: -45.621981
where:
bonds (distance) C4'-P energy: -16.901
bonds (distance) P-C4' energy: -5.807
flat angles C4'-P-C4' energy: -14.295
flat angles P-C4'-P energy: -9.766
tors. eta vs tors. theta energy: 1.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 304
Temperature: 1.350000
Total energy: -89.024707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.024707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.024707 (E_RNA)
where:
Base-Base interactions energy: -41.992
where: short stacking energy: -29.419
Base-Backbone interact. energy: -0.166
local terms energy: -46.866746
where:
bonds (distance) C4'-P energy: -10.309
bonds (distance) P-C4' energy: -15.883
flat angles C4'-P-C4' energy: -17.351
flat angles P-C4'-P energy: -1.282
tors. eta vs tors. theta energy: -2.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 305
Temperature: 0.900000
Total energy: -292.146349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.146349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.146349 (E_RNA)
where:
Base-Base interactions energy: -201.830
where: short stacking energy: -84.032
Base-Backbone interact. energy: -0.001
local terms energy: -90.315656
where:
bonds (distance) C4'-P energy: -17.426
bonds (distance) P-C4' energy: -18.297
flat angles C4'-P-C4' energy: -17.513
flat angles P-C4'-P energy: -13.536
tors. eta vs tors. theta energy: -23.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 305
Temperature: 0.950000
Total energy: -279.132544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.132544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.132544 (E_RNA)
where:
Base-Base interactions energy: -194.503
where: short stacking energy: -72.930
Base-Backbone interact. energy: 0.335
local terms energy: -84.964438
where:
bonds (distance) C4'-P energy: -13.039
bonds (distance) P-C4' energy: -18.205
flat angles C4'-P-C4' energy: -16.593
flat angles P-C4'-P energy: -13.705
tors. eta vs tors. theta energy: -23.422
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: 7
=====================================
Write number: 305
Temperature: 1.000000
Total energy: -273.762361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.762361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.762361 (E_RNA)
where:
Base-Base interactions energy: -183.517
where: short stacking energy: -68.591
Base-Backbone interact. energy: -0.004
local terms energy: -90.241911
where:
bonds (distance) C4'-P energy: -16.829
bonds (distance) P-C4' energy: -19.165
flat angles C4'-P-C4' energy: -18.372
flat angles P-C4'-P energy: -13.228
tors. eta vs tors. theta energy: -22.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 305
Temperature: 1.050000
Total energy: -276.419030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.419030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.419030 (E_RNA)
where:
Base-Base interactions energy: -187.834
where: short stacking energy: -81.562
Base-Backbone interact. energy: -0.596
local terms energy: -87.989112
where:
bonds (distance) C4'-P energy: -16.688
bonds (distance) P-C4' energy: -15.609
flat angles C4'-P-C4' energy: -16.279
flat angles P-C4'-P energy: -12.348
tors. eta vs tors. theta energy: -27.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 305
Temperature: 1.100000
Total energy: -264.105674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.105674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.105674 (E_RNA)
where:
Base-Base interactions energy: -179.578
where: short stacking energy: -71.388
Base-Backbone interact. energy: -0.083
local terms energy: -84.444434
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -20.151
flat angles C4'-P-C4' energy: -18.483
flat angles P-C4'-P energy: -12.933
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: 3
=====================================
Write number: 305
Temperature: 1.150000
Total energy: -247.277139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.277139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.277139 (E_RNA)
where:
Base-Base interactions energy: -159.557
where: short stacking energy: -74.619
Base-Backbone interact. energy: -0.002
local terms energy: -87.718096
where:
bonds (distance) C4'-P energy: -14.378
bonds (distance) P-C4' energy: -17.610
flat angles C4'-P-C4' energy: -18.037
flat angles P-C4'-P energy: -14.364
tors. eta vs tors. theta energy: -23.329
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: 9
=====================================
Write number: 305
Temperature: 1.200000
Total energy: -165.677464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.677464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.677464 (E_RNA)
where:
Base-Base interactions energy: -95.095
where: short stacking energy: -56.678
Base-Backbone interact. energy: 1.243
local terms energy: -71.824813
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -19.839
flat angles C4'-P-C4' energy: -16.701
flat angles P-C4'-P energy: -13.584
tors. eta vs tors. theta energy: -6.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 305
Temperature: 1.250000
Total energy: -99.108654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.108654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.108654 (E_RNA)
where:
Base-Base interactions energy: -53.060
where: short stacking energy: -32.741
Base-Backbone interact. energy: -0.370
local terms energy: -45.678738
where:
bonds (distance) C4'-P energy: -14.685
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -11.664
flat angles P-C4'-P energy: -3.040
tors. eta vs tors. theta energy: 1.054
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: 1
=====================================
Write number: 305
Temperature: 1.300000
Total energy: -83.744112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.744112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.744112 (E_RNA)
where:
Base-Base interactions energy: -25.640
where: short stacking energy: -18.484
Base-Backbone interact. energy: -2.184
local terms energy: -55.920790
where:
bonds (distance) C4'-P energy: -18.653
bonds (distance) P-C4' energy: -14.762
flat angles C4'-P-C4' energy: -15.429
flat angles P-C4'-P energy: -7.542
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: 305
Temperature: 1.350000
Total energy: -83.258387 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.258387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.258387 (E_RNA)
where:
Base-Base interactions energy: -29.243
where: short stacking energy: -29.243
Base-Backbone interact. energy: -0.146
local terms energy: -53.870002
where:
bonds (distance) C4'-P energy: -15.791
bonds (distance) P-C4' energy: -15.896
flat angles C4'-P-C4' energy: -15.558
flat angles P-C4'-P energy: -7.349
tors. eta vs tors. theta energy: 0.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 306
Temperature: 0.900000
Total energy: -302.037805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -302.037805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -302.037805 (E_RNA)
where:
Base-Base interactions energy: -206.892
where: short stacking energy: -88.155
Base-Backbone interact. energy: -0.001
local terms energy: -95.144136
where:
bonds (distance) C4'-P energy: -19.624
bonds (distance) P-C4' energy: -16.548
flat angles C4'-P-C4' energy: -16.431
flat angles P-C4'-P energy: -16.297
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: 2, replica: 10
=====================================
Write number: 306
Temperature: 0.950000
Total energy: -283.830150 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.830150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.830150 (E_RNA)
where:
Base-Base interactions energy: -189.186
where: short stacking energy: -74.636
Base-Backbone interact. energy: 0.352
local terms energy: -94.996130
where:
bonds (distance) C4'-P energy: -16.715
bonds (distance) P-C4' energy: -21.308
flat angles C4'-P-C4' energy: -20.115
flat angles P-C4'-P energy: -14.830
tors. eta vs tors. theta energy: -22.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 306
Temperature: 1.000000
Total energy: -285.490240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.490240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.490240 (E_RNA)
where:
Base-Base interactions energy: -203.222
where: short stacking energy: -80.063
Base-Backbone interact. energy: -0.429
local terms energy: -81.839941
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -17.366
flat angles C4'-P-C4' energy: -17.028
flat angles P-C4'-P energy: -8.862
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: 7
=====================================
Write number: 306
Temperature: 1.050000
Total energy: -270.431714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.431714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.431714 (E_RNA)
where:
Base-Base interactions energy: -183.556
where: short stacking energy: -67.693
Base-Backbone interact. energy: -0.552
local terms energy: -86.324184
where:
bonds (distance) C4'-P energy: -14.902
bonds (distance) P-C4' energy: -19.421
flat angles C4'-P-C4' energy: -18.887
flat angles P-C4'-P energy: -9.237
tors. eta vs tors. theta energy: -23.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 306
Temperature: 1.100000
Total energy: -263.226866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.226866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.226866 (E_RNA)
where:
Base-Base interactions energy: -186.496
where: short stacking energy: -78.045
Base-Backbone interact. energy: -0.100
local terms energy: -76.631126
where:
bonds (distance) C4'-P energy: -11.070
bonds (distance) P-C4' energy: -12.105
flat angles C4'-P-C4' energy: -18.604
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -25.150
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 306
Temperature: 1.150000
Total energy: -246.485068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.485068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.485068 (E_RNA)
where:
Base-Base interactions energy: -162.704
where: short stacking energy: -63.843
Base-Backbone interact. energy: -1.352
local terms energy: -82.428509
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -17.484
flat angles C4'-P-C4' energy: -15.953
flat angles P-C4'-P energy: -16.548
tors. eta vs tors. theta energy: -16.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 306
Temperature: 1.200000
Total energy: -102.993704 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.993704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.993704 (E_RNA)
where:
Base-Base interactions energy: -51.306
where: short stacking energy: -32.185
Base-Backbone interact. energy: -0.485
local terms energy: -51.202875
where:
bonds (distance) C4'-P energy: -15.521
bonds (distance) P-C4' energy: -10.792
flat angles C4'-P-C4' energy: -13.069
flat angles P-C4'-P energy: -10.091
tors. eta vs tors. theta energy: -1.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 306
Temperature: 1.250000
Total energy: -149.428920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.428920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.428920 (E_RNA)
where:
Base-Base interactions energy: -94.085
where: short stacking energy: -38.377
Base-Backbone interact. energy: -0.153
local terms energy: -55.191579
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -15.966
flat angles C4'-P-C4' energy: -9.710
flat angles P-C4'-P energy: -11.969
tors. eta vs tors. theta energy: -3.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 306
Temperature: 1.300000
Total energy: -92.731858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.731858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.731858 (E_RNA)
where:
Base-Base interactions energy: -37.655
where: short stacking energy: -23.990
Base-Backbone interact. energy: -0.167
local terms energy: -54.909706
where:
bonds (distance) C4'-P energy: -15.786
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -18.813
flat angles P-C4'-P energy: -8.358
tors. eta vs tors. theta energy: 3.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 306
Temperature: 1.350000
Total energy: -91.772652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.772652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.772652 (E_RNA)
where:
Base-Base interactions energy: -32.194
where: short stacking energy: -27.147
Base-Backbone interact. energy: -0.242
local terms energy: -59.337277
where:
bonds (distance) C4'-P energy: -17.079
bonds (distance) P-C4' energy: -13.489
flat angles C4'-P-C4' energy: -14.422
flat angles P-C4'-P energy: -12.879
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: 1, replica: 6
=====================================
Write number: 307
Temperature: 0.900000
Total energy: -287.926697 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.926697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.926697 (E_RNA)
where:
Base-Base interactions energy: -193.591
where: short stacking energy: -87.550
Base-Backbone interact. energy: -0.757
local terms energy: -93.578497
where:
bonds (distance) C4'-P energy: -15.087
bonds (distance) P-C4' energy: -20.591
flat angles C4'-P-C4' energy: -17.468
flat angles P-C4'-P energy: -13.894
tors. eta vs tors. theta energy: -26.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 307
Temperature: 0.950000
Total energy: -286.061930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.061930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.061930 (E_RNA)
where:
Base-Base interactions energy: -196.179
where: short stacking energy: -81.892
Base-Backbone interact. energy: -0.012
local terms energy: -89.871244
where:
bonds (distance) C4'-P energy: -15.295
bonds (distance) P-C4' energy: -15.502
flat angles C4'-P-C4' energy: -20.283
flat angles P-C4'-P energy: -15.640
tors. eta vs tors. theta energy: -23.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 307
Temperature: 1.000000
Total energy: -279.514673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.514673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.514673 (E_RNA)
where:
Base-Base interactions energy: -192.349
where: short stacking energy: -74.503
Base-Backbone interact. energy: -0.028
local terms energy: -87.137491
where:
bonds (distance) C4'-P energy: -17.500
bonds (distance) P-C4' energy: -14.086
flat angles C4'-P-C4' energy: -17.765
flat angles P-C4'-P energy: -16.986
tors. eta vs tors. theta energy: -20.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 307
Temperature: 1.050000
Total energy: -271.594793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.594793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.594793 (E_RNA)
where:
Base-Base interactions energy: -188.395
where: short stacking energy: -67.181
Base-Backbone interact. energy: -0.065
local terms energy: -83.134373
where:
bonds (distance) C4'-P energy: -17.041
bonds (distance) P-C4' energy: -16.698
flat angles C4'-P-C4' energy: -18.199
flat angles P-C4'-P energy: -9.798
tors. eta vs tors. theta energy: -21.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 307
Temperature: 1.100000
Total energy: -271.644645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.644645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.644645 (E_RNA)
where:
Base-Base interactions energy: -187.938
where: short stacking energy: -84.958
Base-Backbone interact. energy: -0.008
local terms energy: -83.699405
where:
bonds (distance) C4'-P energy: -11.043
bonds (distance) P-C4' energy: -13.573
flat angles C4'-P-C4' energy: -18.530
flat angles P-C4'-P energy: -14.724
tors. eta vs tors. theta energy: -25.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 307
Temperature: 1.150000
Total energy: -260.225938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.225938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.225938 (E_RNA)
where:
Base-Base interactions energy: -182.861
where: short stacking energy: -62.887
Base-Backbone interact. energy: -0.226
local terms energy: -77.139092
where:
bonds (distance) C4'-P energy: -17.156
bonds (distance) P-C4' energy: -17.722
flat angles C4'-P-C4' energy: -15.269
flat angles P-C4'-P energy: -12.084
tors. eta vs tors. theta energy: -14.907
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 307
Temperature: 1.200000
Total energy: -107.952486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.952486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.952486 (E_RNA)
where:
Base-Base interactions energy: -47.165
where: short stacking energy: -32.390
Base-Backbone interact. energy: -0.262
local terms energy: -60.525935
where:
bonds (distance) C4'-P energy: -13.417
bonds (distance) P-C4' energy: -13.796
flat angles C4'-P-C4' energy: -15.188
flat angles P-C4'-P energy: -15.402
tors. eta vs tors. theta energy: -2.723
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: 9
=====================================
Write number: 307
Temperature: 1.250000
Total energy: -164.628546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.628546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.628546 (E_RNA)
where:
Base-Base interactions energy: -107.140
where: short stacking energy: -48.350
Base-Backbone interact. energy: 1.387
local terms energy: -58.875966
where:
bonds (distance) C4'-P energy: -12.601
bonds (distance) P-C4' energy: -14.008
flat angles C4'-P-C4' energy: -14.163
flat angles P-C4'-P energy: -6.437
tors. eta vs tors. theta energy: -11.668
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: 9, replica: 1
=====================================
Write number: 307
Temperature: 1.300000
Total energy: -84.068629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.068629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.068629 (E_RNA)
where:
Base-Base interactions energy: -27.951
where: short stacking energy: -27.951
Base-Backbone interact. energy: -0.029
local terms energy: -56.088011
where:
bonds (distance) C4'-P energy: -16.162
bonds (distance) P-C4' energy: -16.241
flat angles C4'-P-C4' energy: -14.133
flat angles P-C4'-P energy: -9.215
tors. eta vs tors. theta energy: -0.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 307
Temperature: 1.350000
Total energy: -91.273442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.273442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.273442 (E_RNA)
where:
Base-Base interactions energy: -46.042
where: short stacking energy: -19.266
Base-Backbone interact. energy: -0.349
local terms energy: -44.881769
where:
bonds (distance) C4'-P energy: -13.502
bonds (distance) P-C4' energy: -13.535
flat angles C4'-P-C4' energy: -10.806
flat angles P-C4'-P energy: -9.324
tors. eta vs tors. theta energy: 2.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 308
Temperature: 0.900000
Total energy: -289.236854 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.236854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.236854 (E_RNA)
where:
Base-Base interactions energy: -192.818
where: short stacking energy: -74.091
Base-Backbone interact. energy: -0.156
local terms energy: -96.263058
where:
bonds (distance) C4'-P energy: -19.443
bonds (distance) P-C4' energy: -15.291
flat angles C4'-P-C4' energy: -21.295
flat angles P-C4'-P energy: -13.432
tors. eta vs tors. theta energy: -26.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 308
Temperature: 0.950000
Total energy: -277.346689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.346689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.346689 (E_RNA)
where:
Base-Base interactions energy: -197.075
where: short stacking energy: -84.330
Base-Backbone interact. energy: -2.347
local terms energy: -77.925052
where:
bonds (distance) C4'-P energy: -10.180
bonds (distance) P-C4' energy: -16.097
flat angles C4'-P-C4' energy: -15.027
flat angles P-C4'-P energy: -12.265
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: 3, replica: 8
=====================================
Write number: 308
Temperature: 1.000000
Total energy: -276.759804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.759804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.759804 (E_RNA)
where:
Base-Base interactions energy: -194.319
where: short stacking energy: -71.533
Base-Backbone interact. energy: -0.168
local terms energy: -82.272863
where:
bonds (distance) C4'-P energy: -12.841
bonds (distance) P-C4' energy: -18.704
flat angles C4'-P-C4' energy: -18.071
flat angles P-C4'-P energy: -9.687
tors. eta vs tors. theta energy: -22.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 308
Temperature: 1.050000
Total energy: -275.119425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.119425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.119425 (E_RNA)
where:
Base-Base interactions energy: -188.875
where: short stacking energy: -77.574
Base-Backbone interact. energy: -0.106
local terms energy: -86.138673
where:
bonds (distance) C4'-P energy: -16.697
bonds (distance) P-C4' energy: -18.280
flat angles C4'-P-C4' energy: -14.003
flat angles P-C4'-P energy: -13.724
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: 7
=====================================
Write number: 308
Temperature: 1.100000
Total energy: -276.233637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.233637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.233637 (E_RNA)
where:
Base-Base interactions energy: -190.715
where: short stacking energy: -69.183
Base-Backbone interact. energy: -1.090
local terms energy: -84.428405
where:
bonds (distance) C4'-P energy: -15.736
bonds (distance) P-C4' energy: -15.884
flat angles C4'-P-C4' energy: -18.519
flat angles P-C4'-P energy: -12.068
tors. eta vs tors. theta energy: -22.222
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 308
Temperature: 1.150000
Total energy: -258.203176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.203176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.203176 (E_RNA)
where:
Base-Base interactions energy: -179.733
where: short stacking energy: -69.864
Base-Backbone interact. energy: -0.044
local terms energy: -78.425705
where:
bonds (distance) C4'-P energy: -17.836
bonds (distance) P-C4' energy: -17.170
flat angles C4'-P-C4' energy: -9.936
flat angles P-C4'-P energy: -9.349
tors. eta vs tors. theta energy: -24.133
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: 308
Temperature: 1.200000
Total energy: -167.134746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.134746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.134746 (E_RNA)
where:
Base-Base interactions energy: -96.341
where: short stacking energy: -37.711
Base-Backbone interact. energy: -0.043
local terms energy: -70.750985
where:
bonds (distance) C4'-P energy: -15.776
bonds (distance) P-C4' energy: -18.196
flat angles C4'-P-C4' energy: -16.721
flat angles P-C4'-P energy: -10.694
tors. eta vs tors. theta energy: -9.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 308
Temperature: 1.250000
Total energy: -99.610293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.610293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.610293 (E_RNA)
where:
Base-Base interactions energy: -32.722
where: short stacking energy: -32.722
Base-Backbone interact. energy: -0.404
local terms energy: -66.483765
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -18.805
flat angles C4'-P-C4' energy: -17.767
flat angles P-C4'-P energy: -9.286
tors. eta vs tors. theta energy: -6.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 308
Temperature: 1.300000
Total energy: -90.559517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.559517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.559517 (E_RNA)
where:
Base-Base interactions energy: -30.359
where: short stacking energy: -25.166
Base-Backbone interact. energy: -0.093
local terms energy: -60.107777
where:
bonds (distance) C4'-P energy: -14.001
bonds (distance) P-C4' energy: -19.545
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -11.511
tors. eta vs tors. theta energy: -0.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 308
Temperature: 1.350000
Total energy: -93.246693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.246693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.246693 (E_RNA)
where:
Base-Base interactions energy: -36.774
where: short stacking energy: -32.648
Base-Backbone interact. energy: 0.191
local terms energy: -56.664116
where:
bonds (distance) C4'-P energy: -12.341
bonds (distance) P-C4' energy: -17.775
flat angles C4'-P-C4' energy: -17.109
flat angles P-C4'-P energy: -5.386
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: 1, replica: 5
=====================================
Write number: 309
Temperature: 0.900000
Total energy: -288.936767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.936767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.936767 (E_RNA)
where:
Base-Base interactions energy: -192.938
where: short stacking energy: -76.338
Base-Backbone interact. energy: -2.428
local terms energy: -93.570835
where:
bonds (distance) C4'-P energy: -16.203
bonds (distance) P-C4' energy: -19.769
flat angles C4'-P-C4' energy: -17.881
flat angles P-C4'-P energy: -14.627
tors. eta vs tors. theta energy: -25.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 309
Temperature: 0.950000
Total energy: -293.650673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.650673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.650673 (E_RNA)
where:
Base-Base interactions energy: -199.062
where: short stacking energy: -74.145
Base-Backbone interact. energy: -0.083
local terms energy: -94.505714
where:
bonds (distance) C4'-P energy: -18.271
bonds (distance) P-C4' energy: -17.089
flat angles C4'-P-C4' energy: -20.938
flat angles P-C4'-P energy: -15.214
tors. eta vs tors. theta energy: -22.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 309
Temperature: 1.000000
Total energy: -284.490011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.490011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.490011 (E_RNA)
where:
Base-Base interactions energy: -196.683
where: short stacking energy: -80.747
Base-Backbone interact. energy: -1.305
local terms energy: -86.501738
where:
bonds (distance) C4'-P energy: -18.048
bonds (distance) P-C4' energy: -15.409
flat angles C4'-P-C4' energy: -16.774
flat angles P-C4'-P energy: -12.125
tors. eta vs tors. theta energy: -24.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 309
Temperature: 1.050000
Total energy: -269.722925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.722925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.722925 (E_RNA)
where:
Base-Base interactions energy: -181.717
where: short stacking energy: -74.190
Base-Backbone interact. energy: -0.021
local terms energy: -87.985589
where:
bonds (distance) C4'-P energy: -18.833
bonds (distance) P-C4' energy: -16.570
flat angles C4'-P-C4' energy: -13.799
flat angles P-C4'-P energy: -15.181
tors. eta vs tors. theta energy: -23.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 309
Temperature: 1.100000
Total energy: -276.722309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.722309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.722309 (E_RNA)
where:
Base-Base interactions energy: -191.075
where: short stacking energy: -77.197
Base-Backbone interact. energy: -0.121
local terms energy: -85.526350
where:
bonds (distance) C4'-P energy: -16.998
bonds (distance) P-C4' energy: -16.459
flat angles C4'-P-C4' energy: -17.341
flat angles P-C4'-P energy: -11.948
tors. eta vs tors. theta energy: -22.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 309
Temperature: 1.150000
Total energy: -265.269480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.269480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.269480 (E_RNA)
where:
Base-Base interactions energy: -179.697
where: short stacking energy: -70.704
Base-Backbone interact. energy: -0.097
local terms energy: -85.475106
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -19.182
flat angles C4'-P-C4' energy: -16.872
flat angles P-C4'-P energy: -10.797
tors. eta vs tors. theta energy: -22.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 309
Temperature: 1.200000
Total energy: -166.001033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.001033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.001033 (E_RNA)
where:
Base-Base interactions energy: -101.725
where: short stacking energy: -50.252
Base-Backbone interact. energy: -0.231
local terms energy: -64.044109
where:
bonds (distance) C4'-P energy: -14.012
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -13.557
flat angles P-C4'-P energy: -9.754
tors. eta vs tors. theta energy: -8.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 309
Temperature: 1.250000
Total energy: -92.146535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.146535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.146535 (E_RNA)
where:
Base-Base interactions energy: -36.217
where: short stacking energy: -32.076
Base-Backbone interact. energy: -0.665
local terms energy: -55.264107
where:
bonds (distance) C4'-P energy: -14.958
bonds (distance) P-C4' energy: -16.497
flat angles C4'-P-C4' energy: -16.271
flat angles P-C4'-P energy: -8.890
tors. eta vs tors. theta energy: 1.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 309
Temperature: 1.300000
Total energy: -90.595168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.595168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.595168 (E_RNA)
where:
Base-Base interactions energy: -29.638
where: short stacking energy: -29.163
Base-Backbone interact. energy: -0.012
local terms energy: -60.944582
where:
bonds (distance) C4'-P energy: -17.004
bonds (distance) P-C4' energy: -14.313
flat angles C4'-P-C4' energy: -13.328
flat angles P-C4'-P energy: -10.930
tors. eta vs tors. theta energy: -5.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 309
Temperature: 1.350000
Total energy: -87.819266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.819266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.819266 (E_RNA)
where:
Base-Base interactions energy: -24.967
where: short stacking energy: -24.967
Base-Backbone interact. energy: -0.262
local terms energy: -62.589758
where:
bonds (distance) C4'-P energy: -15.799
bonds (distance) P-C4' energy: -18.790
flat angles C4'-P-C4' energy: -15.020
flat angles P-C4'-P energy: -10.612
tors. eta vs tors. theta energy: -2.368
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 310
Temperature: 0.900000
Total energy: -288.214619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.214619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.214619 (E_RNA)
where:
Base-Base interactions energy: -188.728
where: short stacking energy: -74.156
Base-Backbone interact. energy: -0.009
local terms energy: -99.477119
where:
bonds (distance) C4'-P energy: -19.380
bonds (distance) P-C4' energy: -20.827
flat angles C4'-P-C4' energy: -19.248
flat angles P-C4'-P energy: -14.585
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: 8
=====================================
Write number: 310
Temperature: 0.950000
Total energy: -282.989305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.989305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.989305 (E_RNA)
where:
Base-Base interactions energy: -190.541
where: short stacking energy: -76.165
Base-Backbone interact. energy: -0.005
local terms energy: -92.443018
where:
bonds (distance) C4'-P energy: -18.257
bonds (distance) P-C4' energy: -18.756
flat angles C4'-P-C4' energy: -19.308
flat angles P-C4'-P energy: -9.699
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: 7
=====================================
Write number: 310
Temperature: 1.000000
Total energy: -281.702011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.702011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.702011 (E_RNA)
where:
Base-Base interactions energy: -191.986
where: short stacking energy: -65.568
Base-Backbone interact. energy: -0.213
local terms energy: -89.502680
where:
bonds (distance) C4'-P energy: -15.948
bonds (distance) P-C4' energy: -19.002
flat angles C4'-P-C4' energy: -18.857
flat angles P-C4'-P energy: -11.872
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: 4, replica: 6
=====================================
Write number: 310
Temperature: 1.050000
Total energy: -278.022970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.022970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.022970 (E_RNA)
where:
Base-Base interactions energy: -184.105
where: short stacking energy: -78.271
Base-Backbone interact. energy: -1.419
local terms energy: -92.498320
where:
bonds (distance) C4'-P energy: -19.347
bonds (distance) P-C4' energy: -13.029
flat angles C4'-P-C4' energy: -21.391
flat angles P-C4'-P energy: -13.842
tors. eta vs tors. theta energy: -24.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 310
Temperature: 1.100000
Total energy: -277.943398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.943398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.943398 (E_RNA)
where:
Base-Base interactions energy: -198.118
where: short stacking energy: -77.133
Base-Backbone interact. energy: -0.467
local terms energy: -79.358662
where:
bonds (distance) C4'-P energy: -11.472
bonds (distance) P-C4' energy: -15.559
flat angles C4'-P-C4' energy: -18.397
flat angles P-C4'-P energy: -10.279
tors. eta vs tors. theta energy: -23.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 310
Temperature: 1.150000
Total energy: -266.250739 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.250739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.250739 (E_RNA)
where:
Base-Base interactions energy: -184.756
where: short stacking energy: -76.191
Base-Backbone interact. energy: -0.245
local terms energy: -81.250133
where:
bonds (distance) C4'-P energy: -14.257
bonds (distance) P-C4' energy: -17.279
flat angles C4'-P-C4' energy: -17.824
flat angles P-C4'-P energy: -11.743
tors. eta vs tors. theta energy: -20.148
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 310
Temperature: 1.200000
Total energy: -162.422304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.422304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.422304 (E_RNA)
where:
Base-Base interactions energy: -97.211
where: short stacking energy: -47.956
Base-Backbone interact. energy: -1.185
local terms energy: -64.025814
where:
bonds (distance) C4'-P energy: -11.285
bonds (distance) P-C4' energy: -19.731
flat angles C4'-P-C4' energy: -20.918
flat angles P-C4'-P energy: -6.598
tors. eta vs tors. theta energy: -5.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 310
Temperature: 1.250000
Total energy: -106.432309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.432309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.432309 (E_RNA)
where:
Base-Base interactions energy: -44.584
where: short stacking energy: -27.426
Base-Backbone interact. energy: -0.475
local terms energy: -61.372516
where:
bonds (distance) C4'-P energy: -17.178
bonds (distance) P-C4' energy: -19.302
flat angles C4'-P-C4' energy: -12.910
flat angles P-C4'-P energy: -10.824
tors. eta vs tors. theta energy: -1.158
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 310
Temperature: 1.300000
Total energy: -94.399929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.399929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.399929 (E_RNA)
where:
Base-Base interactions energy: -39.014
where: short stacking energy: -32.513
Base-Backbone interact. energy: -1.891
local terms energy: -53.494990
where:
bonds (distance) C4'-P energy: -12.925
bonds (distance) P-C4' energy: -11.966
flat angles C4'-P-C4' energy: -11.029
flat angles P-C4'-P energy: -13.104
tors. eta vs tors. theta energy: -4.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 310
Temperature: 1.350000
Total energy: -84.633040 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.633040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.633040 (E_RNA)
where:
Base-Base interactions energy: -28.865
where: short stacking energy: -23.605
Base-Backbone interact. energy: -1.417
local terms energy: -54.350949
where:
bonds (distance) C4'-P energy: -15.493
bonds (distance) P-C4' energy: -17.214
flat angles C4'-P-C4' energy: -12.854
flat angles P-C4'-P energy: -13.990
tors. eta vs tors. theta energy: 5.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 311
Temperature: 0.900000
Total energy: -288.383921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.383921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.383921 (E_RNA)
where:
Base-Base interactions energy: -193.594
where: short stacking energy: -73.035
Base-Backbone interact. energy: -0.421
local terms energy: -94.369611
where:
bonds (distance) C4'-P energy: -19.056
bonds (distance) P-C4' energy: -17.516
flat angles C4'-P-C4' energy: -19.836
flat angles P-C4'-P energy: -13.905
tors. eta vs tors. theta energy: -24.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 311
Temperature: 0.950000
Total energy: -283.197290 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.197290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.197290 (E_RNA)
where:
Base-Base interactions energy: -187.638
where: short stacking energy: -81.340
Base-Backbone interact. energy: -0.688
local terms energy: -94.871423
where:
bonds (distance) C4'-P energy: -19.570
bonds (distance) P-C4' energy: -19.595
flat angles C4'-P-C4' energy: -20.706
flat angles P-C4'-P energy: -11.994
tors. eta vs tors. theta energy: -23.006
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: 7
=====================================
Write number: 311
Temperature: 1.000000
Total energy: -277.783114 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.783114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.783114 (E_RNA)
where:
Base-Base interactions energy: -193.323
where: short stacking energy: -77.370
Base-Backbone interact. energy: -0.053
local terms energy: -84.407184
where:
bonds (distance) C4'-P energy: -16.442
bonds (distance) P-C4' energy: -16.081
flat angles C4'-P-C4' energy: -14.981
flat angles P-C4'-P energy: -12.267
tors. eta vs tors. theta energy: -24.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 311
Temperature: 1.050000
Total energy: -272.632420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.632420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.632420 (E_RNA)
where:
Base-Base interactions energy: -188.695
where: short stacking energy: -91.190
Base-Backbone interact. energy: -0.001
local terms energy: -83.936103
where:
bonds (distance) C4'-P energy: -13.427
bonds (distance) P-C4' energy: -15.394
flat angles C4'-P-C4' energy: -17.978
flat angles P-C4'-P energy: -9.479
tors. eta vs tors. theta energy: -27.658
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: 6
=====================================
Write number: 311
Temperature: 1.100000
Total energy: -255.949652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.949652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.949652 (E_RNA)
where:
Base-Base interactions energy: -172.644
where: short stacking energy: -76.318
Base-Backbone interact. energy: -0.256
local terms energy: -83.050575
where:
bonds (distance) C4'-P energy: -14.639
bonds (distance) P-C4' energy: -13.671
flat angles C4'-P-C4' energy: -17.592
flat angles P-C4'-P energy: -16.441
tors. eta vs tors. theta energy: -20.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 311
Temperature: 1.150000
Total energy: -264.301939 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.301939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.301939 (E_RNA)
where:
Base-Base interactions energy: -182.233
where: short stacking energy: -81.738
Base-Backbone interact. energy: -0.306
local terms energy: -81.763417
where:
bonds (distance) C4'-P energy: -15.250
bonds (distance) P-C4' energy: -11.347
flat angles C4'-P-C4' energy: -16.657
flat angles P-C4'-P energy: -12.875
tors. eta vs tors. theta energy: -25.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 311
Temperature: 1.200000
Total energy: -175.370355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.370355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.370355 (E_RNA)
where:
Base-Base interactions energy: -108.682
where: short stacking energy: -50.554
Base-Backbone interact. energy: -0.694
local terms energy: -65.994123
where:
bonds (distance) C4'-P energy: -16.395
bonds (distance) P-C4' energy: -12.430
flat angles C4'-P-C4' energy: -18.394
flat angles P-C4'-P energy: -11.450
tors. eta vs tors. theta energy: -7.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 311
Temperature: 1.250000
Total energy: -102.017201 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.017201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.017201 (E_RNA)
where:
Base-Base interactions energy: -47.226
where: short stacking energy: -34.051
Base-Backbone interact. energy: -0.074
local terms energy: -54.717216
where:
bonds (distance) C4'-P energy: -14.020
bonds (distance) P-C4' energy: -16.834
flat angles C4'-P-C4' energy: -14.165
flat angles P-C4'-P energy: -8.867
tors. eta vs tors. theta energy: -0.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 311
Temperature: 1.300000
Total energy: -89.381644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.381644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.381644 (E_RNA)
where:
Base-Base interactions energy: -38.503
where: short stacking energy: -26.511
Base-Backbone interact. energy: -0.084
local terms energy: -50.794714
where:
bonds (distance) C4'-P energy: -12.347
bonds (distance) P-C4' energy: -13.661
flat angles C4'-P-C4' energy: -14.006
flat angles P-C4'-P energy: -10.705
tors. eta vs tors. theta energy: -0.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 311
Temperature: 1.350000
Total energy: -84.777403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.777403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.777403 (E_RNA)
where:
Base-Base interactions energy: -24.161
where: short stacking energy: -24.161
Base-Backbone interact. energy: -0.211
local terms energy: -60.405817
where:
bonds (distance) C4'-P energy: -14.748
bonds (distance) P-C4' energy: -18.104
flat angles C4'-P-C4' energy: -12.887
flat angles P-C4'-P energy: -9.935
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: 1, replica: 5
=====================================
Write number: 312
Temperature: 0.900000
Total energy: -287.547403 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.547403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.547403 (E_RNA)
where:
Base-Base interactions energy: -195.082
where: short stacking energy: -81.480
Base-Backbone interact. energy: -0.969
local terms energy: -91.496011
where:
bonds (distance) C4'-P energy: -18.627
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -18.084
flat angles P-C4'-P energy: -12.111
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: 2, replica: 8
=====================================
Write number: 312
Temperature: 0.950000
Total energy: -279.145792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.145792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.145792 (E_RNA)
where:
Base-Base interactions energy: -187.054
where: short stacking energy: -77.435
Base-Backbone interact. energy: -0.306
local terms energy: -91.786415
where:
bonds (distance) C4'-P energy: -17.115
bonds (distance) P-C4' energy: -19.006
flat angles C4'-P-C4' energy: -15.475
flat angles P-C4'-P energy: -15.259
tors. eta vs tors. theta energy: -24.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 312
Temperature: 1.000000
Total energy: -269.145761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.145761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.145761 (E_RNA)
where:
Base-Base interactions energy: -176.034
where: short stacking energy: -81.424
Base-Backbone interact. energy: -0.973
local terms energy: -92.138623
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -18.992
flat angles C4'-P-C4' energy: -18.590
flat angles P-C4'-P energy: -16.010
tors. eta vs tors. theta energy: -25.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 312
Temperature: 1.050000
Total energy: -269.788173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.788173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.788173 (E_RNA)
where:
Base-Base interactions energy: -185.517
where: short stacking energy: -71.918
Base-Backbone interact. energy: -0.050
local terms energy: -84.220785
where:
bonds (distance) C4'-P energy: -16.705
bonds (distance) P-C4' energy: -16.632
flat angles C4'-P-C4' energy: -12.630
flat angles P-C4'-P energy: -14.760
tors. eta vs tors. theta energy: -23.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 312
Temperature: 1.100000
Total energy: -268.923802 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.923802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.923802 (E_RNA)
where:
Base-Base interactions energy: -189.005
where: short stacking energy: -73.194
Base-Backbone interact. energy: -0.334
local terms energy: -79.585265
where:
bonds (distance) C4'-P energy: -14.842
bonds (distance) P-C4' energy: -18.053
flat angles C4'-P-C4' energy: -17.762
flat angles P-C4'-P energy: -9.006
tors. eta vs tors. theta energy: -19.922
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 312
Temperature: 1.150000
Total energy: -261.386390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.386390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.386390 (E_RNA)
where:
Base-Base interactions energy: -179.545
where: short stacking energy: -70.292
Base-Backbone interact. energy: -1.286
local terms energy: -80.555371
where:
bonds (distance) C4'-P energy: -17.828
bonds (distance) P-C4' energy: -17.490
flat angles C4'-P-C4' energy: -16.060
flat angles P-C4'-P energy: -6.829
tors. eta vs tors. theta energy: -22.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 312
Temperature: 1.200000
Total energy: -145.878515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.878515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.878515 (E_RNA)
where:
Base-Base interactions energy: -78.725
where: short stacking energy: -40.991
Base-Backbone interact. energy: -1.713
local terms energy: -65.439859
where:
bonds (distance) C4'-P energy: -16.305
bonds (distance) P-C4' energy: -20.863
flat angles C4'-P-C4' energy: -11.393
flat angles P-C4'-P energy: -8.941
tors. eta vs tors. theta energy: -7.938
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 312
Temperature: 1.250000
Total energy: -92.164682 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.164682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.164682 (E_RNA)
where:
Base-Base interactions energy: -30.650
where: short stacking energy: -22.232
Base-Backbone interact. energy: -0.548
local terms energy: -60.966799
where:
bonds (distance) C4'-P energy: -17.703
bonds (distance) P-C4' energy: -15.807
flat angles C4'-P-C4' energy: -17.324
flat angles P-C4'-P energy: -12.903
tors. eta vs tors. theta energy: 2.771
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 312
Temperature: 1.300000
Total energy: -97.035874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.035874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.035874 (E_RNA)
where:
Base-Base interactions energy: -48.621
where: short stacking energy: -23.168
Base-Backbone interact. energy: -0.365
local terms energy: -48.050110
where:
bonds (distance) C4'-P energy: -15.944
bonds (distance) P-C4' energy: -13.254
flat angles C4'-P-C4' energy: -12.009
flat angles P-C4'-P energy: -6.950
tors. eta vs tors. theta energy: 0.106
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: 2
=====================================
Write number: 312
Temperature: 1.350000
Total energy: -86.749198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.749198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.749198 (E_RNA)
where:
Base-Base interactions energy: -18.971
where: short stacking energy: -18.145
Base-Backbone interact. energy: -0.304
local terms energy: -67.473667
where:
bonds (distance) C4'-P energy: -19.351
bonds (distance) P-C4' energy: -20.144
flat angles C4'-P-C4' energy: -15.532
flat angles P-C4'-P energy: -7.792
tors. eta vs tors. theta energy: -4.654
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 313
Temperature: 0.900000
Total energy: -284.675620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.675620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.675620 (E_RNA)
where:
Base-Base interactions energy: -190.892
where: short stacking energy: -78.033
Base-Backbone interact. energy: -1.264
local terms energy: -92.520280
where:
bonds (distance) C4'-P energy: -17.129
bonds (distance) P-C4' energy: -18.664
flat angles C4'-P-C4' energy: -20.385
flat angles P-C4'-P energy: -12.205
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: 2, replica: 8
=====================================
Write number: 313
Temperature: 0.950000
Total energy: -276.608558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.608558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.608558 (E_RNA)
where:
Base-Base interactions energy: -193.071
where: short stacking energy: -76.088
Base-Backbone interact. energy: -0.435
local terms energy: -83.102746
where:
bonds (distance) C4'-P energy: -15.505
bonds (distance) P-C4' energy: -13.428
flat angles C4'-P-C4' energy: -16.682
flat angles P-C4'-P energy: -13.698
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: 3, replica: 3
=====================================
Write number: 313
Temperature: 1.000000
Total energy: -275.243071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.243071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.243071 (E_RNA)
where:
Base-Base interactions energy: -188.422
where: short stacking energy: -74.238
Base-Backbone interact. energy: -0.297
local terms energy: -86.524420
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -17.920
flat angles P-C4'-P energy: -13.296
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: 4, replica: 7
=====================================
Write number: 313
Temperature: 1.050000
Total energy: -266.024237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.024237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.024237 (E_RNA)
where:
Base-Base interactions energy: -187.013
where: short stacking energy: -74.583
Base-Backbone interact. energy: -0.002
local terms energy: -79.009378
where:
bonds (distance) C4'-P energy: -15.919
bonds (distance) P-C4' energy: -14.809
flat angles C4'-P-C4' energy: -18.912
flat angles P-C4'-P energy: -11.098
tors. eta vs tors. theta energy: -18.272
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 313
Temperature: 1.100000
Total energy: -264.636305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.636305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.636305 (E_RNA)
where:
Base-Base interactions energy: -175.340
where: short stacking energy: -80.979
Base-Backbone interact. energy: -0.006
local terms energy: -89.290260
where:
bonds (distance) C4'-P energy: -18.019
bonds (distance) P-C4' energy: -20.162
flat angles C4'-P-C4' energy: -20.621
flat angles P-C4'-P energy: -10.489
tors. eta vs tors. theta energy: -20.001
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 313
Temperature: 1.150000
Total energy: -255.225425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.225425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.225425 (E_RNA)
where:
Base-Base interactions energy: -175.454
where: short stacking energy: -74.615
Base-Backbone interact. energy: -0.232
local terms energy: -79.540230
where:
bonds (distance) C4'-P energy: -12.333
bonds (distance) P-C4' energy: -18.038
flat angles C4'-P-C4' energy: -14.265
flat angles P-C4'-P energy: -14.348
tors. eta vs tors. theta energy: -20.555
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 313
Temperature: 1.200000
Total energy: -145.569253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.569253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.569253 (E_RNA)
where:
Base-Base interactions energy: -85.774
where: short stacking energy: -36.007
Base-Backbone interact. energy: -1.787
local terms energy: -58.007858
where:
bonds (distance) C4'-P energy: -10.285
bonds (distance) P-C4' energy: -15.622
flat angles C4'-P-C4' energy: -13.476
flat angles P-C4'-P energy: -10.190
tors. eta vs tors. theta energy: -8.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 313
Temperature: 1.250000
Total energy: -86.523095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.523095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.523095 (E_RNA)
where:
Base-Base interactions energy: -33.416
where: short stacking energy: -28.444
Base-Backbone interact. energy: -0.532
local terms energy: -52.574975
where:
bonds (distance) C4'-P energy: -13.329
bonds (distance) P-C4' energy: -12.754
flat angles C4'-P-C4' energy: -13.538
flat angles P-C4'-P energy: -8.766
tors. eta vs tors. theta energy: -4.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 313
Temperature: 1.300000
Total energy: -95.982480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.982480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.982480 (E_RNA)
where:
Base-Base interactions energy: -41.079
where: short stacking energy: -22.408
Base-Backbone interact. energy: -0.419
local terms energy: -54.485122
where:
bonds (distance) C4'-P energy: -18.963
bonds (distance) P-C4' energy: -12.428
flat angles C4'-P-C4' energy: -16.280
flat angles P-C4'-P energy: -5.021
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: 2
=====================================
Write number: 313
Temperature: 1.350000
Total energy: -87.745851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.745851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.745851 (E_RNA)
where:
Base-Base interactions energy: -36.920
where: short stacking energy: -36.920
Base-Backbone interact. energy: 0.075
local terms energy: -50.901172
where:
bonds (distance) C4'-P energy: -12.283
bonds (distance) P-C4' energy: -12.817
flat angles C4'-P-C4' energy: -14.818
flat angles P-C4'-P energy: -8.591
tors. eta vs tors. theta energy: -2.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 314
Temperature: 0.900000
Total energy: -286.831348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.831348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.831348 (E_RNA)
where:
Base-Base interactions energy: -194.211
where: short stacking energy: -83.918
Base-Backbone interact. energy: -1.061
local terms energy: -91.559637
where:
bonds (distance) C4'-P energy: -16.905
bonds (distance) P-C4' energy: -19.055
flat angles C4'-P-C4' energy: -20.428
flat angles P-C4'-P energy: -10.272
tors. eta vs tors. theta energy: -24.900
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 314
Temperature: 0.950000
Total energy: -286.293128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.293128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.293128 (E_RNA)
where:
Base-Base interactions energy: -199.352
where: short stacking energy: -78.697
Base-Backbone interact. energy: -0.919
local terms energy: -86.021779
where:
bonds (distance) C4'-P energy: -19.360
bonds (distance) P-C4' energy: -13.111
flat angles C4'-P-C4' energy: -17.238
flat angles P-C4'-P energy: -12.090
tors. eta vs tors. theta energy: -24.223
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 314
Temperature: 1.000000
Total energy: -275.468422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.468422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.468422 (E_RNA)
where:
Base-Base interactions energy: -185.096
where: short stacking energy: -79.676
Base-Backbone interact. energy: -0.322
local terms energy: -90.050459
where:
bonds (distance) C4'-P energy: -15.850
bonds (distance) P-C4' energy: -16.222
flat angles C4'-P-C4' energy: -19.802
flat angles P-C4'-P energy: -13.440
tors. eta vs tors. theta energy: -24.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 314
Temperature: 1.050000
Total energy: -267.386484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.386484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.386484 (E_RNA)
where:
Base-Base interactions energy: -184.483
where: short stacking energy: -81.933
Base-Backbone interact. energy: -0.209
local terms energy: -82.694778
where:
bonds (distance) C4'-P energy: -11.634
bonds (distance) P-C4' energy: -15.755
flat angles C4'-P-C4' energy: -17.852
flat angles P-C4'-P energy: -14.381
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: 5, replica: 6
=====================================
Write number: 314
Temperature: 1.100000
Total energy: -252.604030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.604030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.604030 (E_RNA)
where:
Base-Base interactions energy: -172.358
where: short stacking energy: -69.968
Base-Backbone interact. energy: -0.145
local terms energy: -80.101067
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -17.966
flat angles C4'-P-C4' energy: -16.524
flat angles P-C4'-P energy: -9.464
tors. eta vs tors. theta energy: -20.551
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: 6, replica: 10
=====================================
Write number: 314
Temperature: 1.150000
Total energy: -272.426322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.426322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.426322 (E_RNA)
where:
Base-Base interactions energy: -189.795
where: short stacking energy: -70.578
Base-Backbone interact. energy: -0.060
local terms energy: -82.570466
where:
bonds (distance) C4'-P energy: -11.199
bonds (distance) P-C4' energy: -20.499
flat angles C4'-P-C4' energy: -12.089
flat angles P-C4'-P energy: -15.981
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: 7, replica: 1
=====================================
Write number: 314
Temperature: 1.200000
Total energy: -111.798079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.798079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.798079 (E_RNA)
where:
Base-Base interactions energy: -48.509
where: short stacking energy: -37.862
Base-Backbone interact. energy: -0.076
local terms energy: -63.213231
where:
bonds (distance) C4'-P energy: -17.463
bonds (distance) P-C4' energy: -12.221
flat angles C4'-P-C4' energy: -15.968
flat angles P-C4'-P energy: -8.297
tors. eta vs tors. theta energy: -9.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 314
Temperature: 1.250000
Total energy: -146.210041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -146.210041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -146.210041 (E_RNA)
where:
Base-Base interactions energy: -78.131
where: short stacking energy: -48.314
Base-Backbone interact. energy: -0.003
local terms energy: -68.075193
where:
bonds (distance) C4'-P energy: -17.679
bonds (distance) P-C4' energy: -16.824
flat angles C4'-P-C4' energy: -14.615
flat angles P-C4'-P energy: -8.963
tors. eta vs tors. theta energy: -9.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 314
Temperature: 1.300000
Total energy: -106.333012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.333012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.333012 (E_RNA)
where:
Base-Base interactions energy: -47.135
where: short stacking energy: -29.908
Base-Backbone interact. energy: -1.556
local terms energy: -57.641327
where:
bonds (distance) C4'-P energy: -15.762
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -14.546
flat angles P-C4'-P energy: -8.429
tors. eta vs tors. theta energy: -2.971
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 314
Temperature: 1.350000
Total energy: -87.724103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.724103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.724103 (E_RNA)
where:
Base-Base interactions energy: -36.193
where: short stacking energy: -35.948
Base-Backbone interact. energy: -0.220
local terms energy: -51.311652
where:
bonds (distance) C4'-P energy: -10.446
bonds (distance) P-C4' energy: -12.056
flat angles C4'-P-C4' energy: -11.514
flat angles P-C4'-P energy: -11.125
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: 1, replica: 8
=====================================
Write number: 315
Temperature: 0.900000
Total energy: -289.206222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.206222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.206222 (E_RNA)
where:
Base-Base interactions energy: -201.539
where: short stacking energy: -84.083
Base-Backbone interact. energy: -0.630
local terms energy: -87.036631
where:
bonds (distance) C4'-P energy: -14.533
bonds (distance) P-C4' energy: -16.266
flat angles C4'-P-C4' energy: -17.126
flat angles P-C4'-P energy: -12.502
tors. eta vs tors. theta energy: -26.609
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: 3
=====================================
Write number: 315
Temperature: 0.950000
Total energy: -280.425506 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.425506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.425506 (E_RNA)
where:
Base-Base interactions energy: -189.680
where: short stacking energy: -78.987
Base-Backbone interact. energy: -0.101
local terms energy: -90.644598
where:
bonds (distance) C4'-P energy: -15.596
bonds (distance) P-C4' energy: -20.259
flat angles C4'-P-C4' energy: -18.898
flat angles P-C4'-P energy: -13.066
tors. eta vs tors. theta energy: -22.825
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: 5
=====================================
Write number: 315
Temperature: 1.000000
Total energy: -285.002271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.002271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.002271 (E_RNA)
where:
Base-Base interactions energy: -194.157
where: short stacking energy: -80.547
Base-Backbone interact. energy: -1.436
local terms energy: -89.409160
where:
bonds (distance) C4'-P energy: -18.920
bonds (distance) P-C4' energy: -15.950
flat angles C4'-P-C4' energy: -21.009
flat angles P-C4'-P energy: -11.776
tors. eta vs tors. theta energy: -21.754
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 315
Temperature: 1.050000
Total energy: -270.656048 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.656048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.656048 (E_RNA)
where:
Base-Base interactions energy: -191.621
where: short stacking energy: -80.142
Base-Backbone interact. energy: -1.379
local terms energy: -77.656613
where:
bonds (distance) C4'-P energy: -13.610
bonds (distance) P-C4' energy: -14.315
flat angles C4'-P-C4' energy: -16.500
flat angles P-C4'-P energy: -7.131
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: 5, replica: 6
=====================================
Write number: 315
Temperature: 1.100000
Total energy: -249.279535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.279535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.279535 (E_RNA)
where:
Base-Base interactions energy: -176.586
where: short stacking energy: -66.787
Base-Backbone interact. energy: -0.013
local terms energy: -72.679773
where:
bonds (distance) C4'-P energy: -7.623
bonds (distance) P-C4' energy: -17.641
flat angles C4'-P-C4' energy: -18.288
flat angles P-C4'-P energy: -10.266
tors. eta vs tors. theta energy: -18.862
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: 10
=====================================
Write number: 315
Temperature: 1.150000
Total energy: -262.678686 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.678686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.678686 (E_RNA)
where:
Base-Base interactions energy: -184.618
where: short stacking energy: -72.880
Base-Backbone interact. energy: -0.001
local terms energy: -78.059068
where:
bonds (distance) C4'-P energy: -7.277
bonds (distance) P-C4' energy: -18.210
flat angles C4'-P-C4' energy: -16.206
flat angles P-C4'-P energy: -12.812
tors. eta vs tors. theta energy: -23.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 315
Temperature: 1.200000
Total energy: -97.653402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.653402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.653402 (E_RNA)
where:
Base-Base interactions energy: -45.534
where: short stacking energy: -34.976
Base-Backbone interact. energy: -0.178
local terms energy: -51.941964
where:
bonds (distance) C4'-P energy: -13.494
bonds (distance) P-C4' energy: -14.940
flat angles C4'-P-C4' energy: -11.755
flat angles P-C4'-P energy: -5.945
tors. eta vs tors. theta energy: -5.808
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: 8, replica: 9
=====================================
Write number: 315
Temperature: 1.250000
Total energy: -173.306644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.306644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.306644 (E_RNA)
where:
Base-Base interactions energy: -105.717
where: short stacking energy: -38.907
Base-Backbone interact. energy: -0.208
local terms energy: -67.381333
where:
bonds (distance) C4'-P energy: -14.572
bonds (distance) P-C4' energy: -20.602
flat angles C4'-P-C4' energy: -17.766
flat angles P-C4'-P energy: -8.217
tors. eta vs tors. theta energy: -6.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 315
Temperature: 1.300000
Total energy: -92.257176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.257176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.257176 (E_RNA)
where:
Base-Base interactions energy: -39.647
where: short stacking energy: -39.647
Base-Backbone interact. energy: -0.316
local terms energy: -52.294574
where:
bonds (distance) C4'-P energy: -8.530
bonds (distance) P-C4' energy: -14.856
flat angles C4'-P-C4' energy: -13.797
flat angles P-C4'-P energy: -6.124
tors. eta vs tors. theta energy: -8.988
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: 4
=====================================
Write number: 315
Temperature: 1.350000
Total energy: -93.463532 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.463532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.463532 (E_RNA)
where:
Base-Base interactions energy: -25.237
where: short stacking energy: -25.237
Base-Backbone interact. energy: 1.300
local terms energy: -69.526166
where:
bonds (distance) C4'-P energy: -20.014
bonds (distance) P-C4' energy: -15.093
flat angles C4'-P-C4' energy: -13.090
flat angles P-C4'-P energy: -14.173
tors. eta vs tors. theta energy: -7.157
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 316
Temperature: 0.900000
Total energy: -286.356775 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.356775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.356775 (E_RNA)
where:
Base-Base interactions energy: -193.682
where: short stacking energy: -78.708
Base-Backbone interact. energy: -0.478
local terms energy: -92.196555
where:
bonds (distance) C4'-P energy: -17.800
bonds (distance) P-C4' energy: -17.174
flat angles C4'-P-C4' energy: -20.596
flat angles P-C4'-P energy: -13.817
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: 2, replica: 8
=====================================
Write number: 316
Temperature: 0.950000
Total energy: -278.684994 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.684994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.684994 (E_RNA)
where:
Base-Base interactions energy: -192.672
where: short stacking energy: -78.355
Base-Backbone interact. energy: -0.172
local terms energy: -85.841426
where:
bonds (distance) C4'-P energy: -13.885
bonds (distance) P-C4' energy: -19.073
flat angles C4'-P-C4' energy: -16.313
flat angles P-C4'-P energy: -10.700
tors. eta vs tors. theta energy: -25.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 316
Temperature: 1.000000
Total energy: -278.275188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.275188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.275188 (E_RNA)
where:
Base-Base interactions energy: -190.910
where: short stacking energy: -82.581
Base-Backbone interact. energy: 0.485
local terms energy: -87.849721
where:
bonds (distance) C4'-P energy: -20.022
bonds (distance) P-C4' energy: -14.721
flat angles C4'-P-C4' energy: -19.103
flat angles P-C4'-P energy: -10.105
tors. eta vs tors. theta energy: -23.899
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: 5
=====================================
Write number: 316
Temperature: 1.050000
Total energy: -274.201921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.201921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.201921 (E_RNA)
where:
Base-Base interactions energy: -189.706
where: short stacking energy: -74.819
Base-Backbone interact. energy: -0.489
local terms energy: -84.007158
where:
bonds (distance) C4'-P energy: -15.853
bonds (distance) P-C4' energy: -14.461
flat angles C4'-P-C4' energy: -18.193
flat angles P-C4'-P energy: -10.131
tors. eta vs tors. theta energy: -25.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 316
Temperature: 1.100000
Total energy: -270.262566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.262566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.262566 (E_RNA)
where:
Base-Base interactions energy: -187.166
where: short stacking energy: -71.572
Base-Backbone interact. energy: -0.355
local terms energy: -82.742560
where:
bonds (distance) C4'-P energy: -11.700
bonds (distance) P-C4' energy: -18.361
flat angles C4'-P-C4' energy: -19.367
flat angles P-C4'-P energy: -12.699
tors. eta vs tors. theta energy: -20.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 316
Temperature: 1.150000
Total energy: -256.860396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.860396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.860396 (E_RNA)
where:
Base-Base interactions energy: -175.742
where: short stacking energy: -65.377
Base-Backbone interact. energy: -0.648
local terms energy: -80.470901
where:
bonds (distance) C4'-P energy: -12.916
bonds (distance) P-C4' energy: -14.976
flat angles C4'-P-C4' energy: -19.465
flat angles P-C4'-P energy: -11.319
tors. eta vs tors. theta energy: -21.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 316
Temperature: 1.200000
Total energy: -174.312825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.312825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.312825 (E_RNA)
where:
Base-Base interactions energy: -101.564
where: short stacking energy: -46.081
Base-Backbone interact. energy: -1.142
local terms energy: -71.606687
where:
bonds (distance) C4'-P energy: -16.722
bonds (distance) P-C4' energy: -13.307
flat angles C4'-P-C4' energy: -16.631
flat angles P-C4'-P energy: -15.009
tors. eta vs tors. theta energy: -9.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 316
Temperature: 1.250000
Total energy: -88.769741 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.769741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.769741 (E_RNA)
where:
Base-Base interactions energy: -24.115
where: short stacking energy: -24.615
Base-Backbone interact. energy: -0.207
local terms energy: -64.448205
where:
bonds (distance) C4'-P energy: -17.502
bonds (distance) P-C4' energy: -16.940
flat angles C4'-P-C4' energy: -16.056
flat angles P-C4'-P energy: -8.646
tors. eta vs tors. theta energy: -5.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 316
Temperature: 1.300000
Total energy: -80.198130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.198130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.198130 (E_RNA)
where:
Base-Base interactions energy: -32.422
where: short stacking energy: -28.135
Base-Backbone interact. energy: 1.265
local terms energy: -49.041184
where:
bonds (distance) C4'-P energy: -13.857
bonds (distance) P-C4' energy: -11.195
flat angles C4'-P-C4' energy: -12.014
flat angles P-C4'-P energy: -11.576
tors. eta vs tors. theta energy: -0.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 316
Temperature: 1.350000
Total energy: -88.097824 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.097824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.097824 (E_RNA)
where:
Base-Base interactions energy: -30.347
where: short stacking energy: -25.578
Base-Backbone interact. energy: -0.463
local terms energy: -57.288256
where:
bonds (distance) C4'-P energy: -14.797
bonds (distance) P-C4' energy: -19.643
flat angles C4'-P-C4' energy: -13.436
flat angles P-C4'-P energy: -5.155
tors. eta vs tors. theta energy: -4.258
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: 1, replica: 3
=====================================
Write number: 317
Temperature: 0.900000
Total energy: -286.105701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.105701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.105701 (E_RNA)
where:
Base-Base interactions energy: -197.273
where: short stacking energy: -76.234
Base-Backbone interact. energy: -0.483
local terms energy: -88.349910
where:
bonds (distance) C4'-P energy: -13.618
bonds (distance) P-C4' energy: -19.964
flat angles C4'-P-C4' energy: -18.604
flat angles P-C4'-P energy: -13.924
tors. eta vs tors. theta energy: -22.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 317
Temperature: 0.950000
Total energy: -294.974419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.974419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.974419 (E_RNA)
where:
Base-Base interactions energy: -196.560
where: short stacking energy: -80.550
Base-Backbone interact. energy: -0.306
local terms energy: -98.108342
where:
bonds (distance) C4'-P energy: -18.482
bonds (distance) P-C4' energy: -20.634
flat angles C4'-P-C4' energy: -21.164
flat angles P-C4'-P energy: -12.178
tors. eta vs tors. theta energy: -25.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 317
Temperature: 1.000000
Total energy: -276.462231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.462231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.462231 (E_RNA)
where:
Base-Base interactions energy: -189.602
where: short stacking energy: -80.428
Base-Backbone interact. energy: -0.081
local terms energy: -86.779240
where:
bonds (distance) C4'-P energy: -16.259
bonds (distance) P-C4' energy: -15.782
flat angles C4'-P-C4' energy: -17.534
flat angles P-C4'-P energy: -13.516
tors. eta vs tors. theta energy: -23.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 317
Temperature: 1.050000
Total energy: -273.635852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.635852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.635852 (E_RNA)
where:
Base-Base interactions energy: -187.777
where: short stacking energy: -72.161
Base-Backbone interact. energy: -1.325
local terms energy: -84.533697
where:
bonds (distance) C4'-P energy: -16.512
bonds (distance) P-C4' energy: -17.375
flat angles C4'-P-C4' energy: -12.128
flat angles P-C4'-P energy: -15.366
tors. eta vs tors. theta energy: -23.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 317
Temperature: 1.100000
Total energy: -273.355737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.355737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.355737 (E_RNA)
where:
Base-Base interactions energy: -189.187
where: short stacking energy: -77.334
Base-Backbone interact. energy: -0.396
local terms energy: -83.772963
where:
bonds (distance) C4'-P energy: -16.496
bonds (distance) P-C4' energy: -15.240
flat angles C4'-P-C4' energy: -18.668
flat angles P-C4'-P energy: -5.761
tors. eta vs tors. theta energy: -27.609
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: 6
=====================================
Write number: 317
Temperature: 1.150000
Total energy: -263.202530 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.202530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.202530 (E_RNA)
where:
Base-Base interactions energy: -174.417
where: short stacking energy: -70.834
Base-Backbone interact. energy: -1.213
local terms energy: -87.572067
where:
bonds (distance) C4'-P energy: -12.894
bonds (distance) P-C4' energy: -19.406
flat angles C4'-P-C4' energy: -18.583
flat angles P-C4'-P energy: -12.626
tors. eta vs tors. theta energy: -24.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 317
Temperature: 1.200000
Total energy: -174.240647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.240647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.240647 (E_RNA)
where:
Base-Base interactions energy: -100.113
where: short stacking energy: -55.754
Base-Backbone interact. energy: -0.179
local terms energy: -73.949182
where:
bonds (distance) C4'-P energy: -14.643
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -18.183
flat angles P-C4'-P energy: -7.636
tors. eta vs tors. theta energy: -15.571
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 317
Temperature: 1.250000
Total energy: -97.769661 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.769661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.769661 (E_RNA)
where:
Base-Base interactions energy: -31.561
where: short stacking energy: -26.167
Base-Backbone interact. energy: -0.110
local terms energy: -66.098108
where:
bonds (distance) C4'-P energy: -15.677
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -16.818
flat angles P-C4'-P energy: -10.521
tors. eta vs tors. theta energy: -5.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 317
Temperature: 1.300000
Total energy: -90.975044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.975044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.975044 (E_RNA)
where:
Base-Base interactions energy: -29.458
where: short stacking energy: -21.239
Base-Backbone interact. energy: -0.159
local terms energy: -61.358277
where:
bonds (distance) C4'-P energy: -14.623
bonds (distance) P-C4' energy: -19.530
flat angles C4'-P-C4' energy: -13.771
flat angles P-C4'-P energy: -11.081
tors. eta vs tors. theta energy: -2.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 317
Temperature: 1.350000
Total energy: -87.625509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.625509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.625509 (E_RNA)
where:
Base-Base interactions energy: -33.198
where: short stacking energy: -26.253
Base-Backbone interact. energy: -0.403
local terms energy: -54.024515
where:
bonds (distance) C4'-P energy: -20.431
bonds (distance) P-C4' energy: -12.971
flat angles C4'-P-C4' energy: -14.552
flat angles P-C4'-P energy: -6.818
tors. eta vs tors. theta energy: 0.748
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 318
Temperature: 0.900000
Total energy: -291.599396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.599396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.599396 (E_RNA)
where:
Base-Base interactions energy: -202.186
where: short stacking energy: -77.567
Base-Backbone interact. energy: -1.318
local terms energy: -88.095418
where:
bonds (distance) C4'-P energy: -19.807
bonds (distance) P-C4' energy: -15.640
flat angles C4'-P-C4' energy: -16.708
flat angles P-C4'-P energy: -13.969
tors. eta vs tors. theta energy: -21.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 318
Temperature: 0.950000
Total energy: -285.162431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.162431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.162431 (E_RNA)
where:
Base-Base interactions energy: -200.068
where: short stacking energy: -74.692
Base-Backbone interact. energy: 0.058
local terms energy: -85.152365
where:
bonds (distance) C4'-P energy: -15.053
bonds (distance) P-C4' energy: -15.473
flat angles C4'-P-C4' energy: -20.431
flat angles P-C4'-P energy: -10.145
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: 3, replica: 5
=====================================
Write number: 318
Temperature: 1.000000
Total energy: -282.173631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.173631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.173631 (E_RNA)
where:
Base-Base interactions energy: -184.149
where: short stacking energy: -73.472
Base-Backbone interact. energy: -0.128
local terms energy: -97.896374
where:
bonds (distance) C4'-P energy: -19.327
bonds (distance) P-C4' energy: -21.737
flat angles C4'-P-C4' energy: -20.592
flat angles P-C4'-P energy: -13.309
tors. eta vs tors. theta energy: -22.932
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: 4, replica: 7
=====================================
Write number: 318
Temperature: 1.050000
Total energy: -259.296716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.296716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.296716 (E_RNA)
where:
Base-Base interactions energy: -169.565
where: short stacking energy: -83.215
Base-Backbone interact. energy: -1.309
local terms energy: -88.422475
where:
bonds (distance) C4'-P energy: -16.867
bonds (distance) P-C4' energy: -15.950
flat angles C4'-P-C4' energy: -17.387
flat angles P-C4'-P energy: -16.201
tors. eta vs tors. theta energy: -22.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 318
Temperature: 1.100000
Total energy: -259.433013 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.433013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.433013 (E_RNA)
where:
Base-Base interactions energy: -178.794
where: short stacking energy: -63.250
Base-Backbone interact. energy: -0.267
local terms energy: -80.372211
where:
bonds (distance) C4'-P energy: -15.418
bonds (distance) P-C4' energy: -14.274
flat angles C4'-P-C4' energy: -19.169
flat angles P-C4'-P energy: -13.226
tors. eta vs tors. theta energy: -18.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 318
Temperature: 1.150000
Total energy: -267.397348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.397348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.397348 (E_RNA)
where:
Base-Base interactions energy: -182.261
where: short stacking energy: -78.066
Base-Backbone interact. energy: -1.002
local terms energy: -84.133902
where:
bonds (distance) C4'-P energy: -13.986
bonds (distance) P-C4' energy: -15.732
flat angles C4'-P-C4' energy: -17.155
flat angles P-C4'-P energy: -13.099
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: 9
=====================================
Write number: 318
Temperature: 1.200000
Total energy: -192.817875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.817875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.817875 (E_RNA)
where:
Base-Base interactions energy: -124.487
where: short stacking energy: -46.032
Base-Backbone interact. energy: -0.512
local terms energy: -67.818784
where:
bonds (distance) C4'-P energy: -12.653
bonds (distance) P-C4' energy: -20.365
flat angles C4'-P-C4' energy: -15.097
flat angles P-C4'-P energy: -10.345
tors. eta vs tors. theta energy: -9.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 318
Temperature: 1.250000
Total energy: -102.264781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.264781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.264781 (E_RNA)
where:
Base-Base interactions energy: -41.126
where: short stacking energy: -32.843
Base-Backbone interact. energy: -0.547
local terms energy: -60.591638
where:
bonds (distance) C4'-P energy: -16.163
bonds (distance) P-C4' energy: -16.781
flat angles C4'-P-C4' energy: -10.001
flat angles P-C4'-P energy: -12.294
tors. eta vs tors. theta energy: -5.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 318
Temperature: 1.300000
Total energy: -92.229584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.229584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.229584 (E_RNA)
where:
Base-Base interactions energy: -37.512
where: short stacking energy: -36.375
Base-Backbone interact. energy: -0.343
local terms energy: -54.374409
where:
bonds (distance) C4'-P energy: -13.638
bonds (distance) P-C4' energy: -14.112
flat angles C4'-P-C4' energy: -16.177
flat angles P-C4'-P energy: -7.780
tors. eta vs tors. theta energy: -2.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 318
Temperature: 1.350000
Total energy: -98.881876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.881876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.881876 (E_RNA)
where:
Base-Base interactions energy: -36.785
where: short stacking energy: -35.346
Base-Backbone interact. energy: -0.111
local terms energy: -61.985835
where:
bonds (distance) C4'-P energy: -16.411
bonds (distance) P-C4' energy: -16.452
flat angles C4'-P-C4' energy: -14.882
flat angles P-C4'-P energy: -8.319
tors. eta vs tors. theta energy: -5.922
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: 8
=====================================
Write number: 319
Temperature: 0.900000
Total energy: -285.228407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.228407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.228407 (E_RNA)
where:
Base-Base interactions energy: -194.001
where: short stacking energy: -71.716
Base-Backbone interact. energy: -0.300
local terms energy: -90.927571
where:
bonds (distance) C4'-P energy: -19.475
bonds (distance) P-C4' energy: -16.900
flat angles C4'-P-C4' energy: -17.722
flat angles P-C4'-P energy: -14.337
tors. eta vs tors. theta energy: -22.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 319
Temperature: 0.950000
Total energy: -292.166527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.166527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.166527 (E_RNA)
where:
Base-Base interactions energy: -194.250
where: short stacking energy: -82.650
Base-Backbone interact. energy: -0.296
local terms energy: -97.621385
where:
bonds (distance) C4'-P energy: -18.743
bonds (distance) P-C4' energy: -19.474
flat angles C4'-P-C4' energy: -19.217
flat angles P-C4'-P energy: -14.051
tors. eta vs tors. theta energy: -26.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 319
Temperature: 1.000000
Total energy: -280.440534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.440534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.440534 (E_RNA)
where:
Base-Base interactions energy: -190.987
where: short stacking energy: -82.062
Base-Backbone interact. energy: -0.050
local terms energy: -89.403232
where:
bonds (distance) C4'-P energy: -18.129
bonds (distance) P-C4' energy: -18.349
flat angles C4'-P-C4' energy: -16.532
flat angles P-C4'-P energy: -9.704
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: 4, replica: 6
=====================================
Write number: 319
Temperature: 1.050000
Total energy: -267.198490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.198490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.198490 (E_RNA)
where:
Base-Base interactions energy: -172.187
where: short stacking energy: -73.291
Base-Backbone interact. energy: -0.021
local terms energy: -94.991146
where:
bonds (distance) C4'-P energy: -19.103
bonds (distance) P-C4' energy: -21.672
flat angles C4'-P-C4' energy: -21.191
flat angles P-C4'-P energy: -14.003
tors. eta vs tors. theta energy: -19.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 319
Temperature: 1.100000
Total energy: -274.678676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.678676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.678676 (E_RNA)
where:
Base-Base interactions energy: -183.455
where: short stacking energy: -76.934
Base-Backbone interact. energy: -0.939
local terms energy: -90.284255
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -13.853
flat angles C4'-P-C4' energy: -19.926
flat angles P-C4'-P energy: -14.417
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: 10
=====================================
Write number: 319
Temperature: 1.150000
Total energy: -264.634878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.634878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.634878 (E_RNA)
where:
Base-Base interactions energy: -179.171
where: short stacking energy: -75.978
Base-Backbone interact. energy: -0.003
local terms energy: -85.461425
where:
bonds (distance) C4'-P energy: -14.615
bonds (distance) P-C4' energy: -15.657
flat angles C4'-P-C4' energy: -15.277
flat angles P-C4'-P energy: -13.696
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: 7, replica: 9
=====================================
Write number: 319
Temperature: 1.200000
Total energy: -219.453002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.453002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.453002 (E_RNA)
where:
Base-Base interactions energy: -142.426
where: short stacking energy: -55.722
Base-Backbone interact. energy: 0.981
local terms energy: -78.007648
where:
bonds (distance) C4'-P energy: -20.027
bonds (distance) P-C4' energy: -18.847
flat angles C4'-P-C4' energy: -12.656
flat angles P-C4'-P energy: -11.906
tors. eta vs tors. theta energy: -14.572
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 319
Temperature: 1.250000
Total energy: -89.827722 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.827722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.827722 (E_RNA)
where:
Base-Base interactions energy: -33.550
where: short stacking energy: -26.050
Base-Backbone interact. energy: -0.217
local terms energy: -56.060100
where:
bonds (distance) C4'-P energy: -16.764
bonds (distance) P-C4' energy: -16.796
flat angles C4'-P-C4' energy: -10.417
flat angles P-C4'-P energy: -11.646
tors. eta vs tors. theta energy: -0.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 319
Temperature: 1.300000
Total energy: -88.379133 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.379133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.379133 (E_RNA)
where:
Base-Base interactions energy: -29.693
where: short stacking energy: -21.964
Base-Backbone interact. energy: -0.286
local terms energy: -58.399783
where:
bonds (distance) C4'-P energy: -20.464
bonds (distance) P-C4' energy: -17.902
flat angles C4'-P-C4' energy: -5.887
flat angles P-C4'-P energy: -14.124
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: 10, replica: 1
=====================================
Write number: 319
Temperature: 1.350000
Total energy: -82.900400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.900400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.900400 (E_RNA)
where:
Base-Base interactions energy: -19.746
where: short stacking energy: -18.328
Base-Backbone interact. energy: -0.525
local terms energy: -62.629893
where:
bonds (distance) C4'-P energy: -19.141
bonds (distance) P-C4' energy: -12.126
flat angles C4'-P-C4' energy: -18.214
flat angles P-C4'-P energy: -14.707
tors. eta vs tors. theta energy: 1.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 320
Temperature: 0.900000
Total energy: -290.853178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.853178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.853178 (E_RNA)
where:
Base-Base interactions energy: -191.999
where: short stacking energy: -79.648
Base-Backbone interact. energy: -0.168
local terms energy: -98.686413
where:
bonds (distance) C4'-P energy: -17.686
bonds (distance) P-C4' energy: -21.169
flat angles C4'-P-C4' energy: -21.824
flat angles P-C4'-P energy: -13.891
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: 2, replica: 8
=====================================
Write number: 320
Temperature: 0.950000
Total energy: -282.286753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.286753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.286753 (E_RNA)
where:
Base-Base interactions energy: -194.235
where: short stacking energy: -75.727
Base-Backbone interact. energy: -1.138
local terms energy: -86.913770
where:
bonds (distance) C4'-P energy: -19.016
bonds (distance) P-C4' energy: -17.711
flat angles C4'-P-C4' energy: -19.594
flat angles P-C4'-P energy: -12.175
tors. eta vs tors. theta energy: -18.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 320
Temperature: 1.000000
Total energy: -270.469160 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.469160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.469160 (E_RNA)
where:
Base-Base interactions energy: -180.892
where: short stacking energy: -84.421
Base-Backbone interact. energy: -0.387
local terms energy: -89.190038
where:
bonds (distance) C4'-P energy: -18.014
bonds (distance) P-C4' energy: -18.066
flat angles C4'-P-C4' energy: -18.158
flat angles P-C4'-P energy: -9.886
tors. eta vs tors. theta energy: -25.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 320
Temperature: 1.050000
Total energy: -274.885865 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.885865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.885865 (E_RNA)
where:
Base-Base interactions energy: -186.423
where: short stacking energy: -78.263
Base-Backbone interact. energy: -0.642
local terms energy: -87.820325
where:
bonds (distance) C4'-P energy: -18.225
bonds (distance) P-C4' energy: -14.793
flat angles C4'-P-C4' energy: -17.440
flat angles P-C4'-P energy: -11.315
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: 5, replica: 10
=====================================
Write number: 320
Temperature: 1.100000
Total energy: -273.252852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.252852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.252852 (E_RNA)
where:
Base-Base interactions energy: -185.052
where: short stacking energy: -78.182
Base-Backbone interact. energy: -0.100
local terms energy: -88.101425
where:
bonds (distance) C4'-P energy: -16.755
bonds (distance) P-C4' energy: -16.640
flat angles C4'-P-C4' energy: -20.696
flat angles P-C4'-P energy: -11.735
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: 6, replica: 7
=====================================
Write number: 320
Temperature: 1.150000
Total energy: -264.136608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.136608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.136608 (E_RNA)
where:
Base-Base interactions energy: -184.015
where: short stacking energy: -70.606
Base-Backbone interact. energy: 0.161
local terms energy: -80.281920
where:
bonds (distance) C4'-P energy: -14.383
bonds (distance) P-C4' energy: -17.709
flat angles C4'-P-C4' energy: -16.940
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: -21.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 320
Temperature: 1.200000
Total energy: -204.305925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.305925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.305925 (E_RNA)
where:
Base-Base interactions energy: -132.115
where: short stacking energy: -49.319
Base-Backbone interact. energy: 0.136
local terms energy: -72.327432
where:
bonds (distance) C4'-P energy: -15.985
bonds (distance) P-C4' energy: -11.476
flat angles C4'-P-C4' energy: -21.376
flat angles P-C4'-P energy: -13.634
tors. eta vs tors. theta energy: -9.856
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: 320
Temperature: 1.250000
Total energy: -93.358533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.358533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.358533 (E_RNA)
where:
Base-Base interactions energy: -40.750
where: short stacking energy: -27.973
Base-Backbone interact. energy: -0.332
local terms energy: -52.275894
where:
bonds (distance) C4'-P energy: -14.984
bonds (distance) P-C4' energy: -17.471
flat angles C4'-P-C4' energy: -14.509
flat angles P-C4'-P energy: -2.303
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: 9, replica: 4
=====================================
Write number: 320
Temperature: 1.300000
Total energy: -90.858541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.858541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.858541 (E_RNA)
where:
Base-Base interactions energy: -39.231
where: short stacking energy: -35.309
Base-Backbone interact. energy: -0.293
local terms energy: -51.334921
where:
bonds (distance) C4'-P energy: -11.767
bonds (distance) P-C4' energy: -15.977
flat angles C4'-P-C4' energy: -16.480
flat angles P-C4'-P energy: -6.711
tors. eta vs tors. theta energy: -0.399
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 320
Temperature: 1.350000
Total energy: -79.240747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.240747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.240747 (E_RNA)
where:
Base-Base interactions energy: -20.766
where: short stacking energy: -20.766
Base-Backbone interact. energy: -0.101
local terms energy: -58.373587
where:
bonds (distance) C4'-P energy: -13.450
bonds (distance) P-C4' energy: -16.110
flat angles C4'-P-C4' energy: -16.908
flat angles P-C4'-P energy: -12.412
tors. eta vs tors. theta energy: 0.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 321
Temperature: 0.900000
Total energy: -290.652951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.652951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.652951 (E_RNA)
where:
Base-Base interactions energy: -200.234
where: short stacking energy: -84.328
Base-Backbone interact. energy: -1.670
local terms energy: -88.749150
where:
bonds (distance) C4'-P energy: -15.650
bonds (distance) P-C4' energy: -14.870
flat angles C4'-P-C4' energy: -19.630
flat angles P-C4'-P energy: -13.392
tors. eta vs tors. theta energy: -25.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 321
Temperature: 0.950000
Total energy: -287.024716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.024716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.024716 (E_RNA)
where:
Base-Base interactions energy: -203.575
where: short stacking energy: -82.494
Base-Backbone interact. energy: -0.043
local terms energy: -83.406415
where:
bonds (distance) C4'-P energy: -14.327
bonds (distance) P-C4' energy: -17.408
flat angles C4'-P-C4' energy: -15.748
flat angles P-C4'-P energy: -11.994
tors. eta vs tors. theta energy: -23.929
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 321
Temperature: 1.000000
Total energy: -273.365422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.365422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.365422 (E_RNA)
where:
Base-Base interactions energy: -185.852
where: short stacking energy: -75.640
Base-Backbone interact. energy: -0.806
local terms energy: -86.707427
where:
bonds (distance) C4'-P energy: -19.343
bonds (distance) P-C4' energy: -13.788
flat angles C4'-P-C4' energy: -15.740
flat angles P-C4'-P energy: -14.222
tors. eta vs tors. theta energy: -23.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 321
Temperature: 1.050000
Total energy: -275.685231 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.685231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.685231 (E_RNA)
where:
Base-Base interactions energy: -183.920
where: short stacking energy: -76.537
Base-Backbone interact. energy: -0.171
local terms energy: -91.593954
where:
bonds (distance) C4'-P energy: -17.543
bonds (distance) P-C4' energy: -16.319
flat angles C4'-P-C4' energy: -20.382
flat angles P-C4'-P energy: -10.700
tors. eta vs tors. theta energy: -26.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 321
Temperature: 1.100000
Total energy: -270.280564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.280564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.280564 (E_RNA)
where:
Base-Base interactions energy: -182.606
where: short stacking energy: -74.425
Base-Backbone interact. energy: -0.002
local terms energy: -87.671785
where:
bonds (distance) C4'-P energy: -16.552
bonds (distance) P-C4' energy: -17.082
flat angles C4'-P-C4' energy: -16.386
flat angles P-C4'-P energy: -12.229
tors. eta vs tors. theta energy: -25.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 321
Temperature: 1.150000
Total energy: -257.339292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.339292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.339292 (E_RNA)
where:
Base-Base interactions energy: -182.757
where: short stacking energy: -69.139
Base-Backbone interact. energy: -0.137
local terms energy: -74.445020
where:
bonds (distance) C4'-P energy: -12.076
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -15.865
flat angles P-C4'-P energy: -9.890
tors. eta vs tors. theta energy: -19.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 321
Temperature: 1.200000
Total energy: -204.791501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.791501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.791501 (E_RNA)
where:
Base-Base interactions energy: -128.603
where: short stacking energy: -49.914
Base-Backbone interact. energy: -0.457
local terms energy: -75.731607
where:
bonds (distance) C4'-P energy: -18.166
bonds (distance) P-C4' energy: -16.956
flat angles C4'-P-C4' energy: -12.488
flat angles P-C4'-P energy: -11.843
tors. eta vs tors. theta energy: -16.278
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: 4
=====================================
Write number: 321
Temperature: 1.250000
Total energy: -90.504945 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.504945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.504945 (E_RNA)
where:
Base-Base interactions energy: -36.824
where: short stacking energy: -36.824
Base-Backbone interact. energy: -0.070
local terms energy: -53.610464
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -14.888
flat angles C4'-P-C4' energy: -10.701
flat angles P-C4'-P energy: -7.493
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: 9, replica: 2
=====================================
Write number: 321
Temperature: 1.300000
Total energy: -89.923238 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.923238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.923238 (E_RNA)
where:
Base-Base interactions energy: -30.201
where: short stacking energy: -30.201
Base-Backbone interact. energy: 0.382
local terms energy: -60.104386
where:
bonds (distance) C4'-P energy: -16.495
bonds (distance) P-C4' energy: -17.832
flat angles C4'-P-C4' energy: -11.870
flat angles P-C4'-P energy: -12.357
tors. eta vs tors. theta energy: -1.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 321
Temperature: 1.350000
Total energy: -94.888883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.888883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.888883 (E_RNA)
where:
Base-Base interactions energy: -44.170
where: short stacking energy: -39.233
Base-Backbone interact. energy: -0.331
local terms energy: -50.387759
where:
bonds (distance) C4'-P energy: -16.569
bonds (distance) P-C4' energy: -14.345
flat angles C4'-P-C4' energy: -16.628
flat angles P-C4'-P energy: -3.328
tors. eta vs tors. theta energy: 0.482
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 322
Temperature: 0.900000
Total energy: -292.516502 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.516502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.516502 (E_RNA)
where:
Base-Base interactions energy: -196.627
where: short stacking energy: -82.779
Base-Backbone interact. energy: -0.594
local terms energy: -95.295597
where:
bonds (distance) C4'-P energy: -17.344
bonds (distance) P-C4' energy: -17.502
flat angles C4'-P-C4' energy: -19.382
flat angles P-C4'-P energy: -14.270
tors. eta vs tors. theta energy: -26.797
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 322
Temperature: 0.950000
Total energy: -288.969769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.969769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.969769 (E_RNA)
where:
Base-Base interactions energy: -202.780
where: short stacking energy: -79.396
Base-Backbone interact. energy: -0.147
local terms energy: -86.043301
where:
bonds (distance) C4'-P energy: -17.798
bonds (distance) P-C4' energy: -18.116
flat angles C4'-P-C4' energy: -20.270
flat angles P-C4'-P energy: -9.017
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: 3, replica: 6
=====================================
Write number: 322
Temperature: 1.000000
Total energy: -292.723857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.723857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.723857 (E_RNA)
where:
Base-Base interactions energy: -206.377
where: short stacking energy: -86.112
Base-Backbone interact. energy: -0.001
local terms energy: -86.346099
where:
bonds (distance) C4'-P energy: -13.631
bonds (distance) P-C4' energy: -19.471
flat angles C4'-P-C4' energy: -16.715
flat angles P-C4'-P energy: -12.460
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: 4, replica: 10
=====================================
Write number: 322
Temperature: 1.050000
Total energy: -278.276024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.276024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.276024 (E_RNA)
where:
Base-Base interactions energy: -189.487
where: short stacking energy: -73.751
Base-Backbone interact. energy: -0.646
local terms energy: -88.142824
where:
bonds (distance) C4'-P energy: -19.762
bonds (distance) P-C4' energy: -19.245
flat angles C4'-P-C4' energy: -18.285
flat angles P-C4'-P energy: -9.581
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: 5, replica: 3
=====================================
Write number: 322
Temperature: 1.100000
Total energy: -273.988542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.988542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.988542 (E_RNA)
where:
Base-Base interactions energy: -185.146
where: short stacking energy: -83.419
Base-Backbone interact. energy: -0.006
local terms energy: -88.837094
where:
bonds (distance) C4'-P energy: -14.878
bonds (distance) P-C4' energy: -14.405
flat angles C4'-P-C4' energy: -20.780
flat angles P-C4'-P energy: -11.955
tors. eta vs tors. theta energy: -26.820
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 322
Temperature: 1.150000
Total energy: -263.965637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.965637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.965637 (E_RNA)
where:
Base-Base interactions energy: -187.179
where: short stacking energy: -75.516
Base-Backbone interact. energy: 0.506
local terms energy: -77.292686
where:
bonds (distance) C4'-P energy: -14.458
bonds (distance) P-C4' energy: -14.827
flat angles C4'-P-C4' energy: -15.635
flat angles P-C4'-P energy: -10.057
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: 7, replica: 9
=====================================
Write number: 322
Temperature: 1.200000
Total energy: -200.154312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.154312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.154312 (E_RNA)
where:
Base-Base interactions energy: -116.751
where: short stacking energy: -55.963
Base-Backbone interact. energy: -0.061
local terms energy: -83.342717
where:
bonds (distance) C4'-P energy: -17.485
bonds (distance) P-C4' energy: -18.171
flat angles C4'-P-C4' energy: -18.539
flat angles P-C4'-P energy: -14.881
tors. eta vs tors. theta energy: -14.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 322
Temperature: 1.250000
Total energy: -97.895889 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.895889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.895889 (E_RNA)
where:
Base-Base interactions energy: -44.401
where: short stacking energy: -17.498
Base-Backbone interact. energy: -1.138
local terms energy: -52.356848
where:
bonds (distance) C4'-P energy: -15.062
bonds (distance) P-C4' energy: -16.126
flat angles C4'-P-C4' energy: -16.991
flat angles P-C4'-P energy: -8.435
tors. eta vs tors. theta energy: 4.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 322
Temperature: 1.300000
Total energy: -87.004615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.004615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.004615 (E_RNA)
where:
Base-Base interactions energy: -33.097
where: short stacking energy: -25.227
Base-Backbone interact. energy: 0.421
local terms energy: -54.328871
where:
bonds (distance) C4'-P energy: -16.747
bonds (distance) P-C4' energy: -20.898
flat angles C4'-P-C4' energy: -5.543
flat angles P-C4'-P energy: -5.896
tors. eta vs tors. theta energy: -5.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 322
Temperature: 1.350000
Total energy: -92.148056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.148056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.148056 (E_RNA)
where:
Base-Base interactions energy: -33.656
where: short stacking energy: -28.701
Base-Backbone interact. energy: 1.779
local terms energy: -60.270979
where:
bonds (distance) C4'-P energy: -17.298
bonds (distance) P-C4' energy: -17.067
flat angles C4'-P-C4' energy: -13.773
flat angles P-C4'-P energy: -7.828
tors. eta vs tors. theta energy: -4.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 323
Temperature: 0.900000
Total energy: -295.108736 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.108736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.108736 (E_RNA)
where:
Base-Base interactions energy: -196.686
where: short stacking energy: -81.060
Base-Backbone interact. energy: -1.594
local terms energy: -96.829144
where:
bonds (distance) C4'-P energy: -18.134
bonds (distance) P-C4' energy: -18.725
flat angles C4'-P-C4' energy: -19.863
flat angles P-C4'-P energy: -14.461
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: 6
=====================================
Write number: 323
Temperature: 0.950000
Total energy: -289.506656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.506656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.506656 (E_RNA)
where:
Base-Base interactions energy: -197.896
where: short stacking energy: -80.652
Base-Backbone interact. energy: -0.020
local terms energy: -91.591443
where:
bonds (distance) C4'-P energy: -17.720
bonds (distance) P-C4' energy: -18.318
flat angles C4'-P-C4' energy: -18.223
flat angles P-C4'-P energy: -10.633
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: 8
=====================================
Write number: 323
Temperature: 1.000000
Total energy: -280.320874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.320874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.320874 (E_RNA)
where:
Base-Base interactions energy: -192.056
where: short stacking energy: -79.271
Base-Backbone interact. energy: -0.305
local terms energy: -87.959645
where:
bonds (distance) C4'-P energy: -18.839
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -14.793
flat angles P-C4'-P energy: -14.665
tors. eta vs tors. theta energy: -21.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 323
Temperature: 1.050000
Total energy: -280.052814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.052814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.052814 (E_RNA)
where:
Base-Base interactions energy: -198.143
where: short stacking energy: -80.158
Base-Backbone interact. energy: -0.164
local terms energy: -81.745775
where:
bonds (distance) C4'-P energy: -14.677
bonds (distance) P-C4' energy: -15.882
flat angles C4'-P-C4' energy: -14.680
flat angles P-C4'-P energy: -14.226
tors. eta vs tors. theta energy: -22.282
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: 3
=====================================
Write number: 323
Temperature: 1.100000
Total energy: -262.970922 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.970922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.970922 (E_RNA)
where:
Base-Base interactions energy: -171.790
where: short stacking energy: -71.258
Base-Backbone interact. energy: -0.001
local terms energy: -91.179932
where:
bonds (distance) C4'-P energy: -19.282
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -17.769
flat angles P-C4'-P energy: -10.886
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: 6, replica: 7
=====================================
Write number: 323
Temperature: 1.150000
Total energy: -266.246128 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.246128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.246128 (E_RNA)
where:
Base-Base interactions energy: -186.202
where: short stacking energy: -78.946
Base-Backbone interact. energy: -0.657
local terms energy: -79.387022
where:
bonds (distance) C4'-P energy: -16.127
bonds (distance) P-C4' energy: -14.672
flat angles C4'-P-C4' energy: -16.597
flat angles P-C4'-P energy: -7.386
tors. eta vs tors. theta energy: -24.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 323
Temperature: 1.200000
Total energy: -203.262308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.262308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.262308 (E_RNA)
where:
Base-Base interactions energy: -138.210
where: short stacking energy: -54.091
Base-Backbone interact. energy: 0.338
local terms energy: -65.390835
where:
bonds (distance) C4'-P energy: -12.969
bonds (distance) P-C4' energy: -18.924
flat angles C4'-P-C4' energy: -18.159
flat angles P-C4'-P energy: -7.040
tors. eta vs tors. theta energy: -8.299
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: 1
=====================================
Write number: 323
Temperature: 1.250000
Total energy: -104.292898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.292898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.292898 (E_RNA)
where:
Base-Base interactions energy: -43.003
where: short stacking energy: -26.366
Base-Backbone interact. energy: -0.322
local terms energy: -60.968177
where:
bonds (distance) C4'-P energy: -12.761
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -17.006
flat angles P-C4'-P energy: -10.502
tors. eta vs tors. theta energy: -2.680
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: 4
=====================================
Write number: 323
Temperature: 1.300000
Total energy: -106.534676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.534676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.534676 (E_RNA)
where:
Base-Base interactions energy: -50.079
where: short stacking energy: -27.604
Base-Backbone interact. energy: -0.257
local terms energy: -56.198801
where:
bonds (distance) C4'-P energy: -15.406
bonds (distance) P-C4' energy: -18.532
flat angles C4'-P-C4' energy: -11.854
flat angles P-C4'-P energy: -6.122
tors. eta vs tors. theta energy: -4.285
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 323
Temperature: 1.350000
Total energy: -91.433228 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.433228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.433228 (E_RNA)
where:
Base-Base interactions energy: -30.391
where: short stacking energy: -30.391
Base-Backbone interact. energy: -0.084
local terms energy: -60.958355
where:
bonds (distance) C4'-P energy: -13.125
bonds (distance) P-C4' energy: -15.574
flat angles C4'-P-C4' energy: -19.891
flat angles P-C4'-P energy: -6.763
tors. eta vs tors. theta energy: -5.606
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 324
Temperature: 0.900000
Total energy: -287.895696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.895696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.895696 (E_RNA)
where:
Base-Base interactions energy: -199.749
where: short stacking energy: -88.378
Base-Backbone interact. energy: -0.001
local terms energy: -88.146083
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -19.883
flat angles C4'-P-C4' energy: -17.080
flat angles P-C4'-P energy: -10.080
tors. eta vs tors. theta energy: -25.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 324
Temperature: 0.950000
Total energy: -283.380481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.380481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.380481 (E_RNA)
where:
Base-Base interactions energy: -193.456
where: short stacking energy: -76.946
Base-Backbone interact. energy: -0.100
local terms energy: -89.824652
where:
bonds (distance) C4'-P energy: -13.153
bonds (distance) P-C4' energy: -17.815
flat angles C4'-P-C4' energy: -19.673
flat angles P-C4'-P energy: -12.419
tors. eta vs tors. theta energy: -26.765
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 324
Temperature: 1.000000
Total energy: -279.740258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.740258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.740258 (E_RNA)
where:
Base-Base interactions energy: -191.337
where: short stacking energy: -75.469
Base-Backbone interact. energy: -0.491
local terms energy: -87.911945
where:
bonds (distance) C4'-P energy: -17.845
bonds (distance) P-C4' energy: -19.330
flat angles C4'-P-C4' energy: -17.122
flat angles P-C4'-P energy: -14.091
tors. eta vs tors. theta energy: -19.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 324
Temperature: 1.050000
Total energy: -276.114875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.114875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.114875 (E_RNA)
where:
Base-Base interactions energy: -185.558
where: short stacking energy: -77.356
Base-Backbone interact. energy: -0.357
local terms energy: -90.199432
where:
bonds (distance) C4'-P energy: -17.529
bonds (distance) P-C4' energy: -19.855
flat angles C4'-P-C4' energy: -15.437
flat angles P-C4'-P energy: -13.013
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: 5, replica: 3
=====================================
Write number: 324
Temperature: 1.100000
Total energy: -266.517200 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.517200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.517200 (E_RNA)
where:
Base-Base interactions energy: -182.274
where: short stacking energy: -75.264
Base-Backbone interact. energy: -0.420
local terms energy: -83.823875
where:
bonds (distance) C4'-P energy: -17.070
bonds (distance) P-C4' energy: -12.993
flat angles C4'-P-C4' energy: -16.804
flat angles P-C4'-P energy: -13.768
tors. eta vs tors. theta energy: -23.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 324
Temperature: 1.150000
Total energy: -264.878265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.878265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.878265 (E_RNA)
where:
Base-Base interactions energy: -190.046
where: short stacking energy: -70.522
Base-Backbone interact. energy: -0.122
local terms energy: -74.710536
where:
bonds (distance) C4'-P energy: -11.582
bonds (distance) P-C4' energy: -14.857
flat angles C4'-P-C4' energy: -16.711
flat angles P-C4'-P energy: -9.616
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: 7, replica: 9
=====================================
Write number: 324
Temperature: 1.200000
Total energy: -182.524154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.524154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.524154 (E_RNA)
where:
Base-Base interactions energy: -113.809
where: short stacking energy: -49.329
Base-Backbone interact. energy: -0.727
local terms energy: -67.987923
where:
bonds (distance) C4'-P energy: -14.950
bonds (distance) P-C4' energy: -15.591
flat angles C4'-P-C4' energy: -14.351
flat angles P-C4'-P energy: -10.692
tors. eta vs tors. theta energy: -12.404
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 324
Temperature: 1.250000
Total energy: -103.386927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.386927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.386927 (E_RNA)
where:
Base-Base interactions energy: -42.785
where: short stacking energy: -38.747
Base-Backbone interact. energy: 0.224
local terms energy: -60.825615
where:
bonds (distance) C4'-P energy: -14.226
bonds (distance) P-C4' energy: -16.495
flat angles C4'-P-C4' energy: -15.235
flat angles P-C4'-P energy: -9.459
tors. eta vs tors. theta energy: -5.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 324
Temperature: 1.300000
Total energy: -95.932709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.932709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.932709 (E_RNA)
where:
Base-Base interactions energy: -46.715
where: short stacking energy: -22.994
Base-Backbone interact. energy: -2.089
local terms energy: -47.128651
where:
bonds (distance) C4'-P energy: -7.880
bonds (distance) P-C4' energy: -17.440
flat angles C4'-P-C4' energy: -12.951
flat angles P-C4'-P energy: -3.777
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: 10, replica: 4
=====================================
Write number: 324
Temperature: 1.350000
Total energy: -95.133836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.133836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.133836 (E_RNA)
where:
Base-Base interactions energy: -32.427
where: short stacking energy: -32.427
Base-Backbone interact. energy: -0.052
local terms energy: -62.654202
where:
bonds (distance) C4'-P energy: -13.705
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -12.591
flat angles P-C4'-P energy: -13.778
tors. eta vs tors. theta energy: -5.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 325
Temperature: 0.900000
Total energy: -291.610210 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.610210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.610210 (E_RNA)
where:
Base-Base interactions energy: -197.565
where: short stacking energy: -77.709
Base-Backbone interact. energy: -0.693
local terms energy: -93.351731
where:
bonds (distance) C4'-P energy: -20.536
bonds (distance) P-C4' energy: -15.546
flat angles C4'-P-C4' energy: -17.472
flat angles P-C4'-P energy: -12.456
tors. eta vs tors. theta energy: -27.341
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 325
Temperature: 0.950000
Total energy: -287.878905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.878905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.878905 (E_RNA)
where:
Base-Base interactions energy: -208.322
where: short stacking energy: -79.078
Base-Backbone interact. energy: -0.105
local terms energy: -79.452255
where:
bonds (distance) C4'-P energy: -18.798
bonds (distance) P-C4' energy: -16.173
flat angles C4'-P-C4' energy: -13.822
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: -19.512
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 325
Temperature: 1.000000
Total energy: -264.788175 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.788175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.788175 (E_RNA)
where:
Base-Base interactions energy: -181.450
where: short stacking energy: -73.339
Base-Backbone interact. energy: -0.088
local terms energy: -83.250890
where:
bonds (distance) C4'-P energy: -17.215
bonds (distance) P-C4' energy: -18.364
flat angles C4'-P-C4' energy: -16.900
flat angles P-C4'-P energy: -11.743
tors. eta vs tors. theta energy: -19.029
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 325
Temperature: 1.050000
Total energy: -266.553900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.553900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.553900 (E_RNA)
where:
Base-Base interactions energy: -182.457
where: short stacking energy: -77.122
Base-Backbone interact. energy: -0.644
local terms energy: -83.453407
where:
bonds (distance) C4'-P energy: -15.882
bonds (distance) P-C4' energy: -16.650
flat angles C4'-P-C4' energy: -18.057
flat angles P-C4'-P energy: -9.254
tors. eta vs tors. theta energy: -23.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 325
Temperature: 1.100000
Total energy: -270.880459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.880459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.880459 (E_RNA)
where:
Base-Base interactions energy: -184.704
where: short stacking energy: -82.003
Base-Backbone interact. energy: -0.102
local terms energy: -86.075175
where:
bonds (distance) C4'-P energy: -13.224
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -17.212
flat angles P-C4'-P energy: -13.624
tors. eta vs tors. theta energy: -24.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 325
Temperature: 1.150000
Total energy: -261.059276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.059276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.059276 (E_RNA)
where:
Base-Base interactions energy: -179.161
where: short stacking energy: -67.141
Base-Backbone interact. energy: -0.239
local terms energy: -81.658864
where:
bonds (distance) C4'-P energy: -15.129
bonds (distance) P-C4' energy: -18.913
flat angles C4'-P-C4' energy: -16.393
flat angles P-C4'-P energy: -10.658
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: 7, replica: 9
=====================================
Write number: 325
Temperature: 1.200000
Total energy: -174.415869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.415869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.415869 (E_RNA)
where:
Base-Base interactions energy: -104.674
where: short stacking energy: -53.321
Base-Backbone interact. energy: -0.377
local terms energy: -69.364988
where:
bonds (distance) C4'-P energy: -20.050
bonds (distance) P-C4' energy: -10.987
flat angles C4'-P-C4' energy: -18.508
flat angles P-C4'-P energy: -9.362
tors. eta vs tors. theta energy: -10.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 325
Temperature: 1.250000
Total energy: -127.155932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.155932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.155932 (E_RNA)
where:
Base-Base interactions energy: -65.463
where: short stacking energy: -39.535
Base-Backbone interact. energy: -0.096
local terms energy: -61.597439
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -17.462
flat angles C4'-P-C4' energy: -13.616
flat angles P-C4'-P energy: -9.999
tors. eta vs tors. theta energy: -5.171
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: 1
=====================================
Write number: 325
Temperature: 1.300000
Total energy: -126.645719 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.645719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.645719 (E_RNA)
where:
Base-Base interactions energy: -55.638
where: short stacking energy: -36.934
Base-Backbone interact. energy: -0.138
local terms energy: -70.870263
where:
bonds (distance) C4'-P energy: -19.054
bonds (distance) P-C4' energy: -18.380
flat angles C4'-P-C4' energy: -15.451
flat angles P-C4'-P energy: -12.853
tors. eta vs tors. theta energy: -5.132
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 325
Temperature: 1.350000
Total energy: -81.342229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.342229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.342229 (E_RNA)
where:
Base-Base interactions energy: -25.408
where: short stacking energy: -16.506
Base-Backbone interact. energy: -0.530
local terms energy: -55.404368
where:
bonds (distance) C4'-P energy: -16.639
bonds (distance) P-C4' energy: -14.711
flat angles C4'-P-C4' energy: -18.447
flat angles P-C4'-P energy: -5.064
tors. eta vs tors. theta energy: -0.544
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 326
Temperature: 0.900000
Total energy: -287.355696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.355696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.355696 (E_RNA)
where:
Base-Base interactions energy: -195.161
where: short stacking energy: -75.014
Base-Backbone interact. energy: -0.630
local terms energy: -91.563787
where:
bonds (distance) C4'-P energy: -14.843
bonds (distance) P-C4' energy: -18.572
flat angles C4'-P-C4' energy: -18.383
flat angles P-C4'-P energy: -13.474
tors. eta vs tors. theta energy: -26.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 326
Temperature: 0.950000
Total energy: -278.309458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.309458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.309458 (E_RNA)
where:
Base-Base interactions energy: -191.687
where: short stacking energy: -78.561
Base-Backbone interact. energy: -0.725
local terms energy: -85.898104
where:
bonds (distance) C4'-P energy: -13.899
bonds (distance) P-C4' energy: -16.888
flat angles C4'-P-C4' energy: -19.354
flat angles P-C4'-P energy: -13.316
tors. eta vs tors. theta energy: -22.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 326
Temperature: 1.000000
Total energy: -276.608793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.608793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.608793 (E_RNA)
where:
Base-Base interactions energy: -186.415
where: short stacking energy: -75.866
Base-Backbone interact. energy: 1.048
local terms energy: -91.241833
where:
bonds (distance) C4'-P energy: -15.608
bonds (distance) P-C4' energy: -16.910
flat angles C4'-P-C4' energy: -18.777
flat angles P-C4'-P energy: -14.648
tors. eta vs tors. theta energy: -25.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 326
Temperature: 1.050000
Total energy: -271.033006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.033006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.033006 (E_RNA)
where:
Base-Base interactions energy: -186.795
where: short stacking energy: -69.196
Base-Backbone interact. energy: -1.638
local terms energy: -82.600119
where:
bonds (distance) C4'-P energy: -14.251
bonds (distance) P-C4' energy: -17.594
flat angles C4'-P-C4' energy: -17.230
flat angles P-C4'-P energy: -13.776
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: 5, replica: 7
=====================================
Write number: 326
Temperature: 1.100000
Total energy: -268.057867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.057867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.057867 (E_RNA)
where:
Base-Base interactions energy: -184.028
where: short stacking energy: -71.108
Base-Backbone interact. energy: -0.306
local terms energy: -83.722930
where:
bonds (distance) C4'-P energy: -13.822
bonds (distance) P-C4' energy: -19.404
flat angles C4'-P-C4' energy: -17.386
flat angles P-C4'-P energy: -11.158
tors. eta vs tors. theta energy: -21.952
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: 8
=====================================
Write number: 326
Temperature: 1.150000
Total energy: -262.137695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.137695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.137695 (E_RNA)
where:
Base-Base interactions energy: -174.438
where: short stacking energy: -62.508
Base-Backbone interact. energy: -0.618
local terms energy: -87.081073
where:
bonds (distance) C4'-P energy: -16.843
bonds (distance) P-C4' energy: -19.422
flat angles C4'-P-C4' energy: -18.194
flat angles P-C4'-P energy: -13.091
tors. eta vs tors. theta energy: -19.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 326
Temperature: 1.200000
Total energy: -177.377988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.377988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.377988 (E_RNA)
where:
Base-Base interactions energy: -93.154
where: short stacking energy: -45.314
Base-Backbone interact. energy: -0.086
local terms energy: -84.138433
where:
bonds (distance) C4'-P energy: -20.378
bonds (distance) P-C4' energy: -19.447
flat angles C4'-P-C4' energy: -17.941
flat angles P-C4'-P energy: -11.773
tors. eta vs tors. theta energy: -14.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 326
Temperature: 1.250000
Total energy: -100.385723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.385723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.385723 (E_RNA)
where:
Base-Base interactions energy: -43.170
where: short stacking energy: -28.256
Base-Backbone interact. energy: -0.181
local terms energy: -57.035307
where:
bonds (distance) C4'-P energy: -13.995
bonds (distance) P-C4' energy: -17.992
flat angles C4'-P-C4' energy: -14.915
flat angles P-C4'-P energy: -10.814
tors. eta vs tors. theta energy: 0.680
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 326
Temperature: 1.300000
Total energy: -88.649335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.649335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.649335 (E_RNA)
where:
Base-Base interactions energy: -31.326
where: short stacking energy: -29.597
Base-Backbone interact. energy: -0.227
local terms energy: -57.095418
where:
bonds (distance) C4'-P energy: -14.371
bonds (distance) P-C4' energy: -14.899
flat angles C4'-P-C4' energy: -14.091
flat angles P-C4'-P energy: -12.037
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: 10, replica: 1
=====================================
Write number: 326
Temperature: 1.350000
Total energy: -102.189539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.189539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.189539 (E_RNA)
where:
Base-Base interactions energy: -42.754
where: short stacking energy: -36.166
Base-Backbone interact. energy: -0.216
local terms energy: -59.219130
where:
bonds (distance) C4'-P energy: -19.028
bonds (distance) P-C4' energy: -15.918
flat angles C4'-P-C4' energy: -16.824
flat angles P-C4'-P energy: -7.059
tors. eta vs tors. theta energy: -0.390
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: 6
=====================================
Write number: 327
Temperature: 0.900000
Total energy: -279.450405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.450405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.450405 (E_RNA)
where:
Base-Base interactions energy: -191.614
where: short stacking energy: -74.325
Base-Backbone interact. energy: -0.340
local terms energy: -87.496622
where:
bonds (distance) C4'-P energy: -16.089
bonds (distance) P-C4' energy: -13.083
flat angles C4'-P-C4' energy: -20.240
flat angles P-C4'-P energy: -16.186
tors. eta vs tors. theta energy: -21.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 327
Temperature: 0.950000
Total energy: -283.684248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.684248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.684248 (E_RNA)
where:
Base-Base interactions energy: -192.771
where: short stacking energy: -82.289
Base-Backbone interact. energy: -0.171
local terms energy: -90.742164
where:
bonds (distance) C4'-P energy: -18.965
bonds (distance) P-C4' energy: -15.963
flat angles C4'-P-C4' energy: -17.823
flat angles P-C4'-P energy: -12.624
tors. eta vs tors. theta energy: -25.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 327
Temperature: 1.000000
Total energy: -281.518634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.518634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.518634 (E_RNA)
where:
Base-Base interactions energy: -192.651
where: short stacking energy: -77.642
Base-Backbone interact. energy: -0.376
local terms energy: -88.491539
where:
bonds (distance) C4'-P energy: -18.895
bonds (distance) P-C4' energy: -17.270
flat angles C4'-P-C4' energy: -16.350
flat angles P-C4'-P energy: -11.815
tors. eta vs tors. theta energy: -24.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 327
Temperature: 1.050000
Total energy: -268.244467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.244467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.244467 (E_RNA)
where:
Base-Base interactions energy: -190.758
where: short stacking energy: -77.958
Base-Backbone interact. energy: 0.489
local terms energy: -77.974822
where:
bonds (distance) C4'-P energy: -6.850
bonds (distance) P-C4' energy: -16.614
flat angles C4'-P-C4' energy: -18.342
flat angles P-C4'-P energy: -12.234
tors. eta vs tors. theta energy: -23.934
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 327
Temperature: 1.100000
Total energy: -269.847203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.847203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.847203 (E_RNA)
where:
Base-Base interactions energy: -178.230
where: short stacking energy: -76.991
Base-Backbone interact. energy: -0.178
local terms energy: -91.439806
where:
bonds (distance) C4'-P energy: -20.092
bonds (distance) P-C4' energy: -14.440
flat angles C4'-P-C4' energy: -18.419
flat angles P-C4'-P energy: -14.954
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: 8
=====================================
Write number: 327
Temperature: 1.150000
Total energy: -268.814564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.814564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.814564 (E_RNA)
where:
Base-Base interactions energy: -179.812
where: short stacking energy: -79.424
Base-Backbone interact. energy: -0.002
local terms energy: -89.000509
where:
bonds (distance) C4'-P energy: -19.429
bonds (distance) P-C4' energy: -17.061
flat angles C4'-P-C4' energy: -16.804
flat angles P-C4'-P energy: -13.818
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: 7, replica: 9
=====================================
Write number: 327
Temperature: 1.200000
Total energy: -163.489187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.489187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.489187 (E_RNA)
where:
Base-Base interactions energy: -93.498
where: short stacking energy: -46.644
Base-Backbone interact. energy: -1.074
local terms energy: -68.917336
where:
bonds (distance) C4'-P energy: -15.572
bonds (distance) P-C4' energy: -17.069
flat angles C4'-P-C4' energy: -16.262
flat angles P-C4'-P energy: -13.080
tors. eta vs tors. theta energy: -6.934
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: 4
=====================================
Write number: 327
Temperature: 1.250000
Total energy: -82.164263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.164263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.164263 (E_RNA)
where:
Base-Base interactions energy: -33.783
where: short stacking energy: -29.379
Base-Backbone interact. energy: -0.337
local terms energy: -48.044373
where:
bonds (distance) C4'-P energy: -12.612
bonds (distance) P-C4' energy: -21.007
flat angles C4'-P-C4' energy: -11.981
flat angles P-C4'-P energy: -2.921
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: 9, replica: 2
=====================================
Write number: 327
Temperature: 1.300000
Total energy: -91.350341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.350341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.350341 (E_RNA)
where:
Base-Base interactions energy: -30.536
where: short stacking energy: -21.097
Base-Backbone interact. energy: 2.703
local terms energy: -63.517160
where:
bonds (distance) C4'-P energy: -19.471
bonds (distance) P-C4' energy: -12.190
flat angles C4'-P-C4' energy: -14.238
flat angles P-C4'-P energy: -15.995
tors. eta vs tors. theta energy: -1.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 327
Temperature: 1.350000
Total energy: -81.847859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.847859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.847859 (E_RNA)
where:
Base-Base interactions energy: -27.769
where: short stacking energy: -19.623
Base-Backbone interact. energy: 1.539
local terms energy: -55.618342
where:
bonds (distance) C4'-P energy: -16.967
bonds (distance) P-C4' energy: -16.542
flat angles C4'-P-C4' energy: -10.882
flat angles P-C4'-P energy: -11.455
tors. eta vs tors. theta energy: 0.228
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 328
Temperature: 0.900000
Total energy: -286.689003 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.689003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.689003 (E_RNA)
where:
Base-Base interactions energy: -200.819
where: short stacking energy: -80.900
Base-Backbone interact. energy: -0.004
local terms energy: -85.865536
where:
bonds (distance) C4'-P energy: -17.227
bonds (distance) P-C4' energy: -15.193
flat angles C4'-P-C4' energy: -18.191
flat angles P-C4'-P energy: -11.946
tors. eta vs tors. theta energy: -23.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 328
Temperature: 0.950000
Total energy: -281.624907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.624907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.624907 (E_RNA)
where:
Base-Base interactions energy: -197.845
where: short stacking energy: -79.335
Base-Backbone interact. energy: -0.120
local terms energy: -83.660266
where:
bonds (distance) C4'-P energy: -18.875
bonds (distance) P-C4' energy: -18.704
flat angles C4'-P-C4' energy: -16.799
flat angles P-C4'-P energy: -6.149
tors. eta vs tors. theta energy: -23.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 328
Temperature: 1.000000
Total energy: -277.338398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.338398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.338398 (E_RNA)
where:
Base-Base interactions energy: -188.315
where: short stacking energy: -80.215
Base-Backbone interact. energy: -0.319
local terms energy: -88.704638
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -18.548
flat angles C4'-P-C4' energy: -18.998
flat angles P-C4'-P energy: -12.361
tors. eta vs tors. theta energy: -22.713
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: 328
Temperature: 1.050000
Total energy: -267.339494 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.339494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.339494 (E_RNA)
where:
Base-Base interactions energy: -188.844
where: short stacking energy: -67.069
Base-Backbone interact. energy: -0.344
local terms energy: -78.151397
where:
bonds (distance) C4'-P energy: -16.934
bonds (distance) P-C4' energy: -17.423
flat angles C4'-P-C4' energy: -17.359
flat angles P-C4'-P energy: -5.012
tors. eta vs tors. theta energy: -21.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 328
Temperature: 1.100000
Total energy: -257.744331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.744331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.744331 (E_RNA)
where:
Base-Base interactions energy: -174.472
where: short stacking energy: -68.737
Base-Backbone interact. energy: 0.004
local terms energy: -83.276499
where:
bonds (distance) C4'-P energy: -16.623
bonds (distance) P-C4' energy: -13.685
flat angles C4'-P-C4' energy: -17.300
flat angles P-C4'-P energy: -12.705
tors. eta vs tors. theta energy: -22.963
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 328
Temperature: 1.150000
Total energy: -269.618714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.618714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.618714 (E_RNA)
where:
Base-Base interactions energy: -186.961
where: short stacking energy: -73.973
Base-Backbone interact. energy: -0.038
local terms energy: -82.619488
where:
bonds (distance) C4'-P energy: -15.232
bonds (distance) P-C4' energy: -14.866
flat angles C4'-P-C4' energy: -17.013
flat angles P-C4'-P energy: -12.648
tors. eta vs tors. theta energy: -22.860
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 328
Temperature: 1.200000
Total energy: -97.596034 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.596034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.596034 (E_RNA)
where:
Base-Base interactions energy: -36.847
where: short stacking energy: -13.097
Base-Backbone interact. energy: -0.432
local terms energy: -60.317173
where:
bonds (distance) C4'-P energy: -18.018
bonds (distance) P-C4' energy: -19.493
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -15.584
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: 8, replica: 9
=====================================
Write number: 328
Temperature: 1.250000
Total energy: -174.148240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.148240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.148240 (E_RNA)
where:
Base-Base interactions energy: -111.567
where: short stacking energy: -45.785
Base-Backbone interact. energy: -1.260
local terms energy: -61.321155
where:
bonds (distance) C4'-P energy: -16.589
bonds (distance) P-C4' energy: -19.044
flat angles C4'-P-C4' energy: -16.269
flat angles P-C4'-P energy: -5.440
tors. eta vs tors. theta energy: -3.979
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 328
Temperature: 1.300000
Total energy: -93.074190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.074190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.074190 (E_RNA)
where:
Base-Base interactions energy: -33.397
where: short stacking energy: -26.810
Base-Backbone interact. energy: -0.142
local terms energy: -59.535350
where:
bonds (distance) C4'-P energy: -15.546
bonds (distance) P-C4' energy: -14.378
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -6.558
tors. eta vs tors. theta energy: -7.183
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 328
Temperature: 1.350000
Total energy: -96.722489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.722489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.722489 (E_RNA)
where:
Base-Base interactions energy: -49.070
where: short stacking energy: -43.518
Base-Backbone interact. energy: 2.151
local terms energy: -49.803040
where:
bonds (distance) C4'-P energy: -11.664
bonds (distance) P-C4' energy: -13.653
flat angles C4'-P-C4' energy: -12.891
flat angles P-C4'-P energy: -9.606
tors. eta vs tors. theta energy: -1.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 329
Temperature: 0.900000
Total energy: -288.518038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.518038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.518038 (E_RNA)
where:
Base-Base interactions energy: -203.580
where: short stacking energy: -80.975
Base-Backbone interact. energy: -0.153
local terms energy: -84.784423
where:
bonds (distance) C4'-P energy: -17.364
bonds (distance) P-C4' energy: -16.890
flat angles C4'-P-C4' energy: -18.435
flat angles P-C4'-P energy: -9.222
tors. eta vs tors. theta energy: -22.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 329
Temperature: 0.950000
Total energy: -273.532585 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.532585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.532585 (E_RNA)
where:
Base-Base interactions energy: -191.365
where: short stacking energy: -77.336
Base-Backbone interact. energy: 0.050
local terms energy: -82.216686
where:
bonds (distance) C4'-P energy: -18.664
bonds (distance) P-C4' energy: -17.800
flat angles C4'-P-C4' energy: -14.392
flat angles P-C4'-P energy: -8.107
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: 3, replica: 6
=====================================
Write number: 329
Temperature: 1.000000
Total energy: -278.521279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.521279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.521279 (E_RNA)
where:
Base-Base interactions energy: -192.827
where: short stacking energy: -81.348
Base-Backbone interact. energy: -0.001
local terms energy: -85.694045
where:
bonds (distance) C4'-P energy: -18.860
bonds (distance) P-C4' energy: -11.440
flat angles C4'-P-C4' energy: -19.976
flat angles P-C4'-P energy: -9.936
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: 4, replica: 10
=====================================
Write number: 329
Temperature: 1.050000
Total energy: -275.558055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.558055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.558055 (E_RNA)
where:
Base-Base interactions energy: -193.520
where: short stacking energy: -74.910
Base-Backbone interact. energy: -0.238
local terms energy: -81.800047
where:
bonds (distance) C4'-P energy: -16.108
bonds (distance) P-C4' energy: -13.259
flat angles C4'-P-C4' energy: -19.178
flat angles P-C4'-P energy: -11.534
tors. eta vs tors. theta energy: -21.720
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: 7
=====================================
Write number: 329
Temperature: 1.100000
Total energy: -250.758869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.758869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.758869 (E_RNA)
where:
Base-Base interactions energy: -175.669
where: short stacking energy: -74.095
Base-Backbone interact. energy: -0.167
local terms energy: -74.922184
where:
bonds (distance) C4'-P energy: -12.664
bonds (distance) P-C4' energy: -9.381
flat angles C4'-P-C4' energy: -20.218
flat angles P-C4'-P energy: -10.713
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: 8
=====================================
Write number: 329
Temperature: 1.150000
Total energy: -264.951132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.951132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.951132 (E_RNA)
where:
Base-Base interactions energy: -186.127
where: short stacking energy: -78.594
Base-Backbone interact. energy: -0.101
local terms energy: -78.723393
where:
bonds (distance) C4'-P energy: -10.387
bonds (distance) P-C4' energy: -12.936
flat angles C4'-P-C4' energy: -18.675
flat angles P-C4'-P energy: -10.996
tors. eta vs tors. theta energy: -25.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 329
Temperature: 1.200000
Total energy: -97.921397 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.921397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.921397 (E_RNA)
where:
Base-Base interactions energy: -39.881
where: short stacking energy: -29.571
Base-Backbone interact. energy: -0.459
local terms energy: -57.581864
where:
bonds (distance) C4'-P energy: -17.996
bonds (distance) P-C4' energy: -16.663
flat angles C4'-P-C4' energy: -18.726
flat angles P-C4'-P energy: -5.388
tors. eta vs tors. theta energy: 1.191
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: 9
=====================================
Write number: 329
Temperature: 1.250000
Total energy: -143.565461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.565461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.565461 (E_RNA)
where:
Base-Base interactions energy: -85.586
where: short stacking energy: -36.427
Base-Backbone interact. energy: -0.169
local terms energy: -57.809944
where:
bonds (distance) C4'-P energy: -13.613
bonds (distance) P-C4' energy: -12.678
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -11.433
tors. eta vs tors. theta energy: -4.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 329
Temperature: 1.300000
Total energy: -93.676342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.676342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.676342 (E_RNA)
where:
Base-Base interactions energy: -36.807
where: short stacking energy: -26.299
Base-Backbone interact. energy: -0.428
local terms energy: -56.441521
where:
bonds (distance) C4'-P energy: -17.638
bonds (distance) P-C4' energy: -17.775
flat angles C4'-P-C4' energy: -14.821
flat angles P-C4'-P energy: -6.712
tors. eta vs tors. theta energy: 0.505
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 329
Temperature: 1.350000
Total energy: -87.538394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.538394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.538394 (E_RNA)
where:
Base-Base interactions energy: -31.774
where: short stacking energy: -26.760
Base-Backbone interact. energy: -0.593
local terms energy: -55.172120
where:
bonds (distance) C4'-P energy: -17.485
bonds (distance) P-C4' energy: -12.609
flat angles C4'-P-C4' energy: -12.372
flat angles P-C4'-P energy: -9.382
tors. eta vs tors. theta energy: -3.323
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 330
Temperature: 0.900000
Total energy: -288.512810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.512810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.512810 (E_RNA)
where:
Base-Base interactions energy: -194.103
where: short stacking energy: -79.961
Base-Backbone interact. energy: -0.101
local terms energy: -94.308575
where:
bonds (distance) C4'-P energy: -19.230
bonds (distance) P-C4' energy: -18.615
flat angles C4'-P-C4' energy: -17.233
flat angles P-C4'-P energy: -14.685
tors. eta vs tors. theta energy: -24.545
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: 330
Temperature: 0.950000
Total energy: -282.746779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.746779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.746779 (E_RNA)
where:
Base-Base interactions energy: -187.601
where: short stacking energy: -81.363
Base-Backbone interact. energy: -1.147
local terms energy: -93.998797
where:
bonds (distance) C4'-P energy: -16.721
bonds (distance) P-C4' energy: -17.440
flat angles C4'-P-C4' energy: -19.233
flat angles P-C4'-P energy: -15.243
tors. eta vs tors. theta energy: -25.362
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: 330
Temperature: 1.000000
Total energy: -279.356514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.356514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.356514 (E_RNA)
where:
Base-Base interactions energy: -196.118
where: short stacking energy: -73.383
Base-Backbone interact. energy: -0.401
local terms energy: -82.837748
where:
bonds (distance) C4'-P energy: -16.540
bonds (distance) P-C4' energy: -11.694
flat angles C4'-P-C4' energy: -17.837
flat angles P-C4'-P energy: -14.503
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: 6
=====================================
Write number: 330
Temperature: 1.050000
Total energy: -277.433206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.433206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.433206 (E_RNA)
where:
Base-Base interactions energy: -192.217
where: short stacking energy: -72.321
Base-Backbone interact. energy: -0.001
local terms energy: -85.214954
where:
bonds (distance) C4'-P energy: -17.081
bonds (distance) P-C4' energy: -16.412
flat angles C4'-P-C4' energy: -17.665
flat angles P-C4'-P energy: -10.328
tors. eta vs tors. theta energy: -23.729
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 330
Temperature: 1.100000
Total energy: -260.067360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.067360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.067360 (E_RNA)
where:
Base-Base interactions energy: -181.683
where: short stacking energy: -73.578
Base-Backbone interact. energy: -0.003
local terms energy: -78.381455
where:
bonds (distance) C4'-P energy: -16.665
bonds (distance) P-C4' energy: -14.556
flat angles C4'-P-C4' energy: -11.600
flat angles P-C4'-P energy: -12.624
tors. eta vs tors. theta energy: -22.937
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 330
Temperature: 1.150000
Total energy: -249.908154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.908154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.908154 (E_RNA)
where:
Base-Base interactions energy: -164.313
where: short stacking energy: -65.997
Base-Backbone interact. energy: 0.968
local terms energy: -86.563198
where:
bonds (distance) C4'-P energy: -19.269
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -18.595
flat angles P-C4'-P energy: -10.355
tors. eta vs tors. theta energy: -23.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 330
Temperature: 1.200000
Total energy: -178.158296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.158296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.158296 (E_RNA)
where:
Base-Base interactions energy: -111.646
where: short stacking energy: -56.436
Base-Backbone interact. energy: -0.069
local terms energy: -66.443398
where:
bonds (distance) C4'-P energy: -12.851
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -11.465
flat angles P-C4'-P energy: -9.702
tors. eta vs tors. theta energy: -14.040
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 330
Temperature: 1.250000
Total energy: -103.125518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.125518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.125518 (E_RNA)
where:
Base-Base interactions energy: -53.151
where: short stacking energy: -25.287
Base-Backbone interact. energy: 0.677
local terms energy: -50.650956
where:
bonds (distance) C4'-P energy: -11.534
bonds (distance) P-C4' energy: -17.487
flat angles C4'-P-C4' energy: -9.106
flat angles P-C4'-P energy: -10.057
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: 9, replica: 2
=====================================
Write number: 330
Temperature: 1.300000
Total energy: -100.468366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.468366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.468366 (E_RNA)
where:
Base-Base interactions energy: -50.986
where: short stacking energy: -45.920
Base-Backbone interact. energy: -0.075
local terms energy: -49.407450
where:
bonds (distance) C4'-P energy: -13.998
bonds (distance) P-C4' energy: -14.543
flat angles C4'-P-C4' energy: -17.223
flat angles P-C4'-P energy: 3.202
tors. eta vs tors. theta energy: -6.845
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 330
Temperature: 1.350000
Total energy: -109.966294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.966294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.966294 (E_RNA)
where:
Base-Base interactions energy: -59.025
where: short stacking energy: -29.275
Base-Backbone interact. energy: 4.471
local terms energy: -55.412266
where:
bonds (distance) C4'-P energy: -18.709
bonds (distance) P-C4' energy: -15.511
flat angles C4'-P-C4' energy: -12.064
flat angles P-C4'-P energy: -10.169
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: 1, replica: 5
=====================================
Write number: 331
Temperature: 0.900000
Total energy: -287.912428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.912428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.912428 (E_RNA)
where:
Base-Base interactions energy: -195.910
where: short stacking energy: -79.031
Base-Backbone interact. energy: -0.592
local terms energy: -91.410829
where:
bonds (distance) C4'-P energy: -19.479
bonds (distance) P-C4' energy: -18.287
flat angles C4'-P-C4' energy: -16.088
flat angles P-C4'-P energy: -13.297
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: 2, replica: 3
=====================================
Write number: 331
Temperature: 0.950000
Total energy: -289.436391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.436391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.436391 (E_RNA)
where:
Base-Base interactions energy: -195.807
where: short stacking energy: -82.726
Base-Backbone interact. energy: -1.601
local terms energy: -92.028557
where:
bonds (distance) C4'-P energy: -16.975
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -17.046
flat angles P-C4'-P energy: -15.391
tors. eta vs tors. theta energy: -25.838
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 331
Temperature: 1.000000
Total energy: -279.206310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.206310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.206310 (E_RNA)
where:
Base-Base interactions energy: -194.279
where: short stacking energy: -73.313
Base-Backbone interact. energy: -0.150
local terms energy: -84.777283
where:
bonds (distance) C4'-P energy: -14.562
bonds (distance) P-C4' energy: -17.782
flat angles C4'-P-C4' energy: -17.863
flat angles P-C4'-P energy: -15.928
tors. eta vs tors. theta energy: -18.642
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: 4, replica: 8
=====================================
Write number: 331
Temperature: 1.050000
Total energy: -271.177061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.177061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.177061 (E_RNA)
where:
Base-Base interactions energy: -182.266
where: short stacking energy: -79.070
Base-Backbone interact. energy: -0.348
local terms energy: -88.562912
where:
bonds (distance) C4'-P energy: -17.110
bonds (distance) P-C4' energy: -16.155
flat angles C4'-P-C4' energy: -17.278
flat angles P-C4'-P energy: -11.110
tors. eta vs tors. theta energy: -26.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 331
Temperature: 1.100000
Total energy: -275.103639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.103639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.103639 (E_RNA)
where:
Base-Base interactions energy: -187.116
where: short stacking energy: -70.668
Base-Backbone interact. energy: -1.035
local terms energy: -86.951750
where:
bonds (distance) C4'-P energy: -17.275
bonds (distance) P-C4' energy: -16.749
flat angles C4'-P-C4' energy: -18.348
flat angles P-C4'-P energy: -12.966
tors. eta vs tors. theta energy: -21.614
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 331
Temperature: 1.150000
Total energy: -256.523204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.523204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.523204 (E_RNA)
where:
Base-Base interactions energy: -172.086
where: short stacking energy: -70.743
Base-Backbone interact. energy: -1.251
local terms energy: -83.186187
where:
bonds (distance) C4'-P energy: -19.640
bonds (distance) P-C4' energy: -15.995
flat angles C4'-P-C4' energy: -11.503
flat angles P-C4'-P energy: -14.404
tors. eta vs tors. theta energy: -21.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 331
Temperature: 1.200000
Total energy: -183.787519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.787519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.787519 (E_RNA)
where:
Base-Base interactions energy: -106.236
where: short stacking energy: -48.861
Base-Backbone interact. energy: -0.001
local terms energy: -77.550427
where:
bonds (distance) C4'-P energy: -20.676
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -18.820
flat angles P-C4'-P energy: -12.152
tors. eta vs tors. theta energy: -7.993
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 331
Temperature: 1.250000
Total energy: -104.409016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.409016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.409016 (E_RNA)
where:
Base-Base interactions energy: -46.028
where: short stacking energy: -42.596
Base-Backbone interact. energy: -0.232
local terms energy: -58.149154
where:
bonds (distance) C4'-P energy: -13.299
bonds (distance) P-C4' energy: -20.868
flat angles C4'-P-C4' energy: -13.011
flat angles P-C4'-P energy: -8.007
tors. eta vs tors. theta energy: -2.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 331
Temperature: 1.300000
Total energy: -97.490983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.490983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.490983 (E_RNA)
where:
Base-Base interactions energy: -42.710
where: short stacking energy: -41.151
Base-Backbone interact. energy: -0.983
local terms energy: -53.798713
where:
bonds (distance) C4'-P energy: -14.897
bonds (distance) P-C4' energy: -9.297
flat angles C4'-P-C4' energy: -18.204
flat angles P-C4'-P energy: -5.054
tors. eta vs tors. theta energy: -6.347
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 331
Temperature: 1.350000
Total energy: -92.745823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.745823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.745823 (E_RNA)
where:
Base-Base interactions energy: -28.276
where: short stacking energy: -27.570
Base-Backbone interact. energy: -0.028
local terms energy: -64.441349
where:
bonds (distance) C4'-P energy: -16.633
bonds (distance) P-C4' energy: -18.750
flat angles C4'-P-C4' energy: -13.421
flat angles P-C4'-P energy: -9.680
tors. eta vs tors. theta energy: -5.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 332
Temperature: 0.900000
Total energy: -287.896583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.896583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.896583 (E_RNA)
where:
Base-Base interactions energy: -194.694
where: short stacking energy: -83.608
Base-Backbone interact. energy: -1.678
local terms energy: -91.524093
where:
bonds (distance) C4'-P energy: -17.279
bonds (distance) P-C4' energy: -17.544
flat angles C4'-P-C4' energy: -18.929
flat angles P-C4'-P energy: -10.727
tors. eta vs tors. theta energy: -27.045
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: 2, replica: 5
=====================================
Write number: 332
Temperature: 0.950000
Total energy: -283.426869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.426869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.426869 (E_RNA)
where:
Base-Base interactions energy: -188.372
where: short stacking energy: -82.239
Base-Backbone interact. energy: -0.132
local terms energy: -94.922869
where:
bonds (distance) C4'-P energy: -16.883
bonds (distance) P-C4' energy: -20.253
flat angles C4'-P-C4' energy: -18.682
flat angles P-C4'-P energy: -11.333
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: 10
=====================================
Write number: 332
Temperature: 1.000000
Total energy: -284.221514 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.221514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.221514 (E_RNA)
where:
Base-Base interactions energy: -198.138
where: short stacking energy: -71.897
Base-Backbone interact. energy: -0.401
local terms energy: -85.682715
where:
bonds (distance) C4'-P energy: -15.269
bonds (distance) P-C4' energy: -17.812
flat angles C4'-P-C4' energy: -19.208
flat angles P-C4'-P energy: -15.120
tors. eta vs tors. theta energy: -18.274
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: 8
=====================================
Write number: 332
Temperature: 1.050000
Total energy: -276.783905 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.783905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.783905 (E_RNA)
where:
Base-Base interactions energy: -183.859
where: short stacking energy: -82.825
Base-Backbone interact. energy: -0.792
local terms energy: -92.132879
where:
bonds (distance) C4'-P energy: -15.150
bonds (distance) P-C4' energy: -19.340
flat angles C4'-P-C4' energy: -20.092
flat angles P-C4'-P energy: -12.097
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: 5, replica: 7
=====================================
Write number: 332
Temperature: 1.100000
Total energy: -263.898550 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.898550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.898550 (E_RNA)
where:
Base-Base interactions energy: -180.048
where: short stacking energy: -77.346
Base-Backbone interact. energy: -0.006
local terms energy: -83.845025
where:
bonds (distance) C4'-P energy: -12.059
bonds (distance) P-C4' energy: -16.504
flat angles C4'-P-C4' energy: -20.652
flat angles P-C4'-P energy: -9.896
tors. eta vs tors. theta energy: -24.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 332
Temperature: 1.150000
Total energy: -266.195024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.195024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.195024 (E_RNA)
where:
Base-Base interactions energy: -188.247
where: short stacking energy: -73.362
Base-Backbone interact. energy: -0.361
local terms energy: -77.587237
where:
bonds (distance) C4'-P energy: -17.450
bonds (distance) P-C4' energy: -16.770
flat angles C4'-P-C4' energy: -16.615
flat angles P-C4'-P energy: -10.030
tors. eta vs tors. theta energy: -16.722
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: 9
=====================================
Write number: 332
Temperature: 1.200000
Total energy: -162.330324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.330324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.330324 (E_RNA)
where:
Base-Base interactions energy: -99.830
where: short stacking energy: -59.832
Base-Backbone interact. energy: -0.187
local terms energy: -62.312947
where:
bonds (distance) C4'-P energy: -13.601
bonds (distance) P-C4' energy: -12.170
flat angles C4'-P-C4' energy: -15.544
flat angles P-C4'-P energy: -13.949
tors. eta vs tors. theta energy: -7.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 332
Temperature: 1.250000
Total energy: -97.055968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.055968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.055968 (E_RNA)
where:
Base-Base interactions energy: -39.400
where: short stacking energy: -18.297
Base-Backbone interact. energy: -1.003
local terms energy: -56.653296
where:
bonds (distance) C4'-P energy: -18.346
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -14.999
flat angles P-C4'-P energy: -4.100
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: 9, replica: 1
=====================================
Write number: 332
Temperature: 1.300000
Total energy: -89.021293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.021293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.021293 (E_RNA)
where:
Base-Base interactions energy: -34.452
where: short stacking energy: -32.693
Base-Backbone interact. energy: 0.751
local terms energy: -55.320449
where:
bonds (distance) C4'-P energy: -14.733
bonds (distance) P-C4' energy: -18.679
flat angles C4'-P-C4' energy: -13.087
flat angles P-C4'-P energy: -6.730
tors. eta vs tors. theta energy: -2.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 332
Temperature: 1.350000
Total energy: -87.557897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.557897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.557897 (E_RNA)
where:
Base-Base interactions energy: -34.541
where: short stacking energy: -15.131
Base-Backbone interact. energy: -0.578
local terms energy: -52.438643
where:
bonds (distance) C4'-P energy: -16.959
bonds (distance) P-C4' energy: -18.622
flat angles C4'-P-C4' energy: -14.375
flat angles P-C4'-P energy: -7.447
tors. eta vs tors. theta energy: 4.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 333
Temperature: 0.900000
Total energy: -286.252852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.252852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.252852 (E_RNA)
where:
Base-Base interactions energy: -192.327
where: short stacking energy: -79.465
Base-Backbone interact. energy: -0.577
local terms energy: -93.348442
where:
bonds (distance) C4'-P energy: -19.408
bonds (distance) P-C4' energy: -17.934
flat angles C4'-P-C4' energy: -17.961
flat angles P-C4'-P energy: -13.628
tors. eta vs tors. theta energy: -24.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 333
Temperature: 0.950000
Total energy: -281.202786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.202786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.202786 (E_RNA)
where:
Base-Base interactions energy: -193.342
where: short stacking energy: -76.580
Base-Backbone interact. energy: -0.197
local terms energy: -87.663216
where:
bonds (distance) C4'-P energy: -18.221
bonds (distance) P-C4' energy: -16.333
flat angles C4'-P-C4' energy: -15.330
flat angles P-C4'-P energy: -12.638
tors. eta vs tors. theta energy: -25.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 333
Temperature: 1.000000
Total energy: -276.770616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.770616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.770616 (E_RNA)
where:
Base-Base interactions energy: -191.023
where: short stacking energy: -70.512
Base-Backbone interact. energy: -0.148
local terms energy: -85.599826
where:
bonds (distance) C4'-P energy: -18.308
bonds (distance) P-C4' energy: -15.493
flat angles C4'-P-C4' energy: -17.980
flat angles P-C4'-P energy: -11.894
tors. eta vs tors. theta energy: -21.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 333
Temperature: 1.050000
Total energy: -271.704781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.704781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.704781 (E_RNA)
where:
Base-Base interactions energy: -187.008
where: short stacking energy: -74.273
Base-Backbone interact. energy: -0.101
local terms energy: -84.595478
where:
bonds (distance) C4'-P energy: -15.647
bonds (distance) P-C4' energy: -17.164
flat angles C4'-P-C4' energy: -18.830
flat angles P-C4'-P energy: -10.312
tors. eta vs tors. theta energy: -22.642
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 333
Temperature: 1.100000
Total energy: -266.816458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.816458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.816458 (E_RNA)
where:
Base-Base interactions energy: -183.544
where: short stacking energy: -72.405
Base-Backbone interact. energy: -0.856
local terms energy: -82.416301
where:
bonds (distance) C4'-P energy: -16.102
bonds (distance) P-C4' energy: -19.805
flat angles C4'-P-C4' energy: -15.083
flat angles P-C4'-P energy: -12.999
tors. eta vs tors. theta energy: -18.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 333
Temperature: 1.150000
Total energy: -242.720970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.720970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.720970 (E_RNA)
where:
Base-Base interactions energy: -170.357
where: short stacking energy: -67.496
Base-Backbone interact. energy: -0.331
local terms energy: -72.033273
where:
bonds (distance) C4'-P energy: -12.608
bonds (distance) P-C4' energy: -14.695
flat angles C4'-P-C4' energy: -18.370
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -16.576
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 333
Temperature: 1.200000
Total energy: -180.648951 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.648951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.648951 (E_RNA)
where:
Base-Base interactions energy: -123.121
where: short stacking energy: -47.309
Base-Backbone interact. energy: -0.167
local terms energy: -57.360729
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -15.668
flat angles C4'-P-C4' energy: -10.487
flat angles P-C4'-P energy: -9.558
tors. eta vs tors. theta energy: -7.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 333
Temperature: 1.250000
Total energy: -102.030101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.030101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.030101 (E_RNA)
where:
Base-Base interactions energy: -38.856
where: short stacking energy: -30.258
Base-Backbone interact. energy: -0.176
local terms energy: -62.998337
where:
bonds (distance) C4'-P energy: -12.783
bonds (distance) P-C4' energy: -19.470
flat angles C4'-P-C4' energy: -12.991
flat angles P-C4'-P energy: -10.618
tors. eta vs tors. theta energy: -7.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 333
Temperature: 1.300000
Total energy: -89.353324 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.353324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.353324 (E_RNA)
where:
Base-Base interactions energy: -30.326
where: short stacking energy: -30.270
Base-Backbone interact. energy: 0.716
local terms energy: -59.743468
where:
bonds (distance) C4'-P energy: -20.279
bonds (distance) P-C4' energy: -14.099
flat angles C4'-P-C4' energy: -15.429
flat angles P-C4'-P energy: -12.832
tors. eta vs tors. theta energy: 2.895
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 333
Temperature: 1.350000
Total energy: -85.810441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.810441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.810441 (E_RNA)
where:
Base-Base interactions energy: -28.374
where: short stacking energy: -28.374
Base-Backbone interact. energy: -0.147
local terms energy: -57.289515
where:
bonds (distance) C4'-P energy: -18.097
bonds (distance) P-C4' energy: -16.865
flat angles C4'-P-C4' energy: -14.545
flat angles P-C4'-P energy: -3.165
tors. eta vs tors. theta energy: -4.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 334
Temperature: 0.900000
Total energy: -289.348291 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.348291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.348291 (E_RNA)
where:
Base-Base interactions energy: -199.087
where: short stacking energy: -79.437
Base-Backbone interact. energy: -0.363
local terms energy: -89.898049
where:
bonds (distance) C4'-P energy: -19.699
bonds (distance) P-C4' energy: -20.027
flat angles C4'-P-C4' energy: -14.518
flat angles P-C4'-P energy: -14.386
tors. eta vs tors. theta energy: -21.268
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 334
Temperature: 0.950000
Total energy: -281.626928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.626928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.626928 (E_RNA)
where:
Base-Base interactions energy: -201.796
where: short stacking energy: -79.986
Base-Backbone interact. energy: -0.996
local terms energy: -78.834997
where:
bonds (distance) C4'-P energy: -14.058
bonds (distance) P-C4' energy: -14.874
flat angles C4'-P-C4' energy: -13.947
flat angles P-C4'-P energy: -12.293
tors. eta vs tors. theta energy: -23.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 334
Temperature: 1.000000
Total energy: -276.001786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.001786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.001786 (E_RNA)
where:
Base-Base interactions energy: -188.654
where: short stacking energy: -73.269
Base-Backbone interact. energy: -0.546
local terms energy: -86.801152
where:
bonds (distance) C4'-P energy: -16.126
bonds (distance) P-C4' energy: -16.542
flat angles C4'-P-C4' energy: -21.034
flat angles P-C4'-P energy: -13.797
tors. eta vs tors. theta energy: -19.303
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: 7
=====================================
Write number: 334
Temperature: 1.050000
Total energy: -276.233181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.233181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.233181 (E_RNA)
where:
Base-Base interactions energy: -191.980
where: short stacking energy: -76.445
Base-Backbone interact. energy: 0.395
local terms energy: -84.648315
where:
bonds (distance) C4'-P energy: -14.138
bonds (distance) P-C4' energy: -15.602
flat angles C4'-P-C4' energy: -20.073
flat angles P-C4'-P energy: -7.515
tors. eta vs tors. theta energy: -27.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 334
Temperature: 1.100000
Total energy: -251.097074 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.097074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.097074 (E_RNA)
where:
Base-Base interactions energy: -177.023
where: short stacking energy: -72.463
Base-Backbone interact. energy: -0.242
local terms energy: -73.832298
where:
bonds (distance) C4'-P energy: -12.603
bonds (distance) P-C4' energy: -13.945
flat angles C4'-P-C4' energy: -18.648
flat angles P-C4'-P energy: -11.623
tors. eta vs tors. theta energy: -17.014
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: 8
=====================================
Write number: 334
Temperature: 1.150000
Total energy: -261.920012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.920012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.920012 (E_RNA)
where:
Base-Base interactions energy: -177.045
where: short stacking energy: -82.117
Base-Backbone interact. energy: -0.184
local terms energy: -84.691145
where:
bonds (distance) C4'-P energy: -14.367
bonds (distance) P-C4' energy: -16.139
flat angles C4'-P-C4' energy: -17.826
flat angles P-C4'-P energy: -10.292
tors. eta vs tors. theta energy: -26.066
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: 9
=====================================
Write number: 334
Temperature: 1.200000
Total energy: -184.710624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.710624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.710624 (E_RNA)
where:
Base-Base interactions energy: -105.967
where: short stacking energy: -58.243
Base-Backbone interact. energy: -0.420
local terms energy: -78.323178
where:
bonds (distance) C4'-P energy: -16.432
bonds (distance) P-C4' energy: -15.980
flat angles C4'-P-C4' energy: -20.030
flat angles P-C4'-P energy: -14.241
tors. eta vs tors. theta energy: -11.640
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 334
Temperature: 1.250000
Total energy: -89.170266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.170266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.170266 (E_RNA)
where:
Base-Base interactions energy: -31.302
where: short stacking energy: -31.302
Base-Backbone interact. energy: -0.272
local terms energy: -57.595775
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -14.308
flat angles C4'-P-C4' energy: -14.637
flat angles P-C4'-P energy: -10.222
tors. eta vs tors. theta energy: -4.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 334
Temperature: 1.300000
Total energy: -95.185540 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.185540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.185540 (E_RNA)
where:
Base-Base interactions energy: -37.541
where: short stacking energy: -28.751
Base-Backbone interact. energy: -0.906
local terms energy: -56.738858
where:
bonds (distance) C4'-P energy: -15.294
bonds (distance) P-C4' energy: -17.202
flat angles C4'-P-C4' energy: -12.210
flat angles P-C4'-P energy: -8.068
tors. eta vs tors. theta energy: -3.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 334
Temperature: 1.350000
Total energy: -89.540746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.540746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.540746 (E_RNA)
where:
Base-Base interactions energy: -21.182
where: short stacking energy: -21.182
Base-Backbone interact. energy: -1.653
local terms energy: -66.705398
where:
bonds (distance) C4'-P energy: -18.017
bonds (distance) P-C4' energy: -19.306
flat angles C4'-P-C4' energy: -17.834
flat angles P-C4'-P energy: -10.054
tors. eta vs tors. theta energy: -1.496
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 335
Temperature: 0.900000
Total energy: -286.022431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.022431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.022431 (E_RNA)
where:
Base-Base interactions energy: -204.106
where: short stacking energy: -85.386
Base-Backbone interact. energy: -0.079
local terms energy: -81.837277
where:
bonds (distance) C4'-P energy: -16.742
bonds (distance) P-C4' energy: -17.444
flat angles C4'-P-C4' energy: -21.058
flat angles P-C4'-P energy: -5.385
tors. eta vs tors. theta energy: -21.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 335
Temperature: 0.950000
Total energy: -283.531378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.531378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.531378 (E_RNA)
where:
Base-Base interactions energy: -191.837
where: short stacking energy: -79.971
Base-Backbone interact. energy: -0.001
local terms energy: -91.693251
where:
bonds (distance) C4'-P energy: -18.254
bonds (distance) P-C4' energy: -16.033
flat angles C4'-P-C4' energy: -19.343
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: -27.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 335
Temperature: 1.000000
Total energy: -272.124805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.124805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.124805 (E_RNA)
where:
Base-Base interactions energy: -190.192
where: short stacking energy: -78.248
Base-Backbone interact. energy: -0.142
local terms energy: -81.790511
where:
bonds (distance) C4'-P energy: -15.807
bonds (distance) P-C4' energy: -14.494
flat angles C4'-P-C4' energy: -16.072
flat angles P-C4'-P energy: -14.596
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: 4, replica: 7
=====================================
Write number: 335
Temperature: 1.050000
Total energy: -280.670047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.670047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.670047 (E_RNA)
where:
Base-Base interactions energy: -196.461
where: short stacking energy: -72.236
Base-Backbone interact. energy: -0.467
local terms energy: -83.741845
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -13.656
flat angles C4'-P-C4' energy: -21.747
flat angles P-C4'-P energy: -12.988
tors. eta vs tors. theta energy: -19.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 335
Temperature: 1.100000
Total energy: -266.629573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.629573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.629573 (E_RNA)
where:
Base-Base interactions energy: -183.689
where: short stacking energy: -79.932
Base-Backbone interact. energy: -0.622
local terms energy: -82.318694
where:
bonds (distance) C4'-P energy: -16.362
bonds (distance) P-C4' energy: -14.435
flat angles C4'-P-C4' energy: -20.593
flat angles P-C4'-P energy: -11.147
tors. eta vs tors. theta energy: -19.782
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 335
Temperature: 1.150000
Total energy: -268.477871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.477871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.477871 (E_RNA)
where:
Base-Base interactions energy: -185.458
where: short stacking energy: -69.899
Base-Backbone interact. energy: -1.470
local terms energy: -81.550077
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -18.460
flat angles C4'-P-C4' energy: -16.584
flat angles P-C4'-P energy: -8.781
tors. eta vs tors. theta energy: -22.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 335
Temperature: 1.200000
Total energy: -206.407872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.407872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.407872 (E_RNA)
where:
Base-Base interactions energy: -142.895
where: short stacking energy: -52.703
Base-Backbone interact. energy: -0.487
local terms energy: -63.025572
where:
bonds (distance) C4'-P energy: -12.410
bonds (distance) P-C4' energy: -14.182
flat angles C4'-P-C4' energy: -12.912
flat angles P-C4'-P energy: -10.925
tors. eta vs tors. theta energy: -12.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 335
Temperature: 1.250000
Total energy: -99.559988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.559988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.559988 (E_RNA)
where:
Base-Base interactions energy: -46.301
where: short stacking energy: -34.093
Base-Backbone interact. energy: -1.037
local terms energy: -52.221873
where:
bonds (distance) C4'-P energy: -15.082
bonds (distance) P-C4' energy: -15.155
flat angles C4'-P-C4' energy: -16.719
flat angles P-C4'-P energy: -3.584
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: 9, replica: 1
=====================================
Write number: 335
Temperature: 1.300000
Total energy: -92.395823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.395823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.395823 (E_RNA)
where:
Base-Base interactions energy: -33.770
where: short stacking energy: -32.826
Base-Backbone interact. energy: 0.706
local terms energy: -59.331444
where:
bonds (distance) C4'-P energy: -18.664
bonds (distance) P-C4' energy: -14.328
flat angles C4'-P-C4' energy: -16.406
flat angles P-C4'-P energy: -6.145
tors. eta vs tors. theta energy: -3.788
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 335
Temperature: 1.350000
Total energy: -80.633088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.633088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.633088 (E_RNA)
where:
Base-Base interactions energy: -26.677
where: short stacking energy: -24.952
Base-Backbone interact. energy: -0.479
local terms energy: -53.477073
where:
bonds (distance) C4'-P energy: -19.578
bonds (distance) P-C4' energy: -19.024
flat angles C4'-P-C4' energy: -10.174
flat angles P-C4'-P energy: -5.123
tors. eta vs tors. theta energy: 0.422
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 336
Temperature: 0.900000
Total energy: -291.202796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.202796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.202796 (E_RNA)
where:
Base-Base interactions energy: -191.892
where: short stacking energy: -78.615
Base-Backbone interact. energy: -0.992
local terms energy: -98.318768
where:
bonds (distance) C4'-P energy: -17.926
bonds (distance) P-C4' energy: -21.768
flat angles C4'-P-C4' energy: -19.976
flat angles P-C4'-P energy: -14.821
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: 2, replica: 10
=====================================
Write number: 336
Temperature: 0.950000
Total energy: -284.646154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.646154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.646154 (E_RNA)
where:
Base-Base interactions energy: -192.631
where: short stacking energy: -82.495
Base-Backbone interact. energy: -0.071
local terms energy: -91.944361
where:
bonds (distance) C4'-P energy: -18.450
bonds (distance) P-C4' energy: -20.591
flat angles C4'-P-C4' energy: -19.117
flat angles P-C4'-P energy: -12.133
tors. eta vs tors. theta energy: -21.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 336
Temperature: 1.000000
Total energy: -276.696035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.696035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.696035 (E_RNA)
where:
Base-Base interactions energy: -196.523
where: short stacking energy: -78.554
Base-Backbone interact. energy: -0.665
local terms energy: -79.508668
where:
bonds (distance) C4'-P energy: -13.300
bonds (distance) P-C4' energy: -12.025
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -14.744
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: 4, replica: 7
=====================================
Write number: 336
Temperature: 1.050000
Total energy: -283.168004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.168004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.168004 (E_RNA)
where:
Base-Base interactions energy: -196.898
where: short stacking energy: -72.232
Base-Backbone interact. energy: -0.151
local terms energy: -86.119767
where:
bonds (distance) C4'-P energy: -18.156
bonds (distance) P-C4' energy: -18.033
flat angles C4'-P-C4' energy: -18.460
flat angles P-C4'-P energy: -13.107
tors. eta vs tors. theta energy: -18.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 336
Temperature: 1.100000
Total energy: -263.900932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.900932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.900932 (E_RNA)
where:
Base-Base interactions energy: -180.444
where: short stacking energy: -75.242
Base-Backbone interact. energy: -0.128
local terms energy: -83.328373
where:
bonds (distance) C4'-P energy: -12.107
bonds (distance) P-C4' energy: -16.571
flat angles C4'-P-C4' energy: -19.330
flat angles P-C4'-P energy: -12.630
tors. eta vs tors. theta energy: -22.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 336
Temperature: 1.150000
Total energy: -264.928045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.928045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.928045 (E_RNA)
where:
Base-Base interactions energy: -176.942
where: short stacking energy: -76.108
Base-Backbone interact. energy: -0.998
local terms energy: -86.987633
where:
bonds (distance) C4'-P energy: -16.447
bonds (distance) P-C4' energy: -17.460
flat angles C4'-P-C4' energy: -17.459
flat angles P-C4'-P energy: -14.977
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: 7, replica: 9
=====================================
Write number: 336
Temperature: 1.200000
Total energy: -209.575012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -209.575012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -209.575012 (E_RNA)
where:
Base-Base interactions energy: -138.586
where: short stacking energy: -64.389
Base-Backbone interact. energy: -0.011
local terms energy: -70.978648
where:
bonds (distance) C4'-P energy: -11.448
bonds (distance) P-C4' energy: -18.709
flat angles C4'-P-C4' energy: -13.485
flat angles P-C4'-P energy: -10.745
tors. eta vs tors. theta energy: -16.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 336
Temperature: 1.250000
Total energy: -101.345176 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.345176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.345176 (E_RNA)
where:
Base-Base interactions energy: -43.401
where: short stacking energy: -43.401
Base-Backbone interact. energy: -0.151
local terms energy: -57.793894
where:
bonds (distance) C4'-P energy: -11.527
bonds (distance) P-C4' energy: -13.150
flat angles C4'-P-C4' energy: -13.866
flat angles P-C4'-P energy: -12.278
tors. eta vs tors. theta energy: -6.972
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 336
Temperature: 1.300000
Total energy: -94.903147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.903147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.903147 (E_RNA)
where:
Base-Base interactions energy: -44.843
where: short stacking energy: -35.781
Base-Backbone interact. energy: 0.179
local terms energy: -50.238899
where:
bonds (distance) C4'-P energy: -16.808
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -11.584
flat angles P-C4'-P energy: -1.013
tors. eta vs tors. theta energy: -2.927
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: 1
=====================================
Write number: 336
Temperature: 1.350000
Total energy: -84.057672 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.057672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.057672 (E_RNA)
where:
Base-Base interactions energy: -25.489
where: short stacking energy: -18.771
Base-Backbone interact. energy: -0.211
local terms energy: -58.357618
where:
bonds (distance) C4'-P energy: -18.850
bonds (distance) P-C4' energy: -20.159
flat angles C4'-P-C4' energy: -16.283
flat angles P-C4'-P energy: -2.660
tors. eta vs tors. theta energy: -0.406
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 337
Temperature: 0.900000
Total energy: -288.614041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.614041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.614041 (E_RNA)
where:
Base-Base interactions energy: -195.115
where: short stacking energy: -82.985
Base-Backbone interact. energy: -1.280
local terms energy: -92.219916
where:
bonds (distance) C4'-P energy: -13.262
bonds (distance) P-C4' energy: -19.160
flat angles C4'-P-C4' energy: -20.928
flat angles P-C4'-P energy: -15.191
tors. eta vs tors. theta energy: -23.680
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: 337
Temperature: 0.950000
Total energy: -283.667084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.667084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.667084 (E_RNA)
where:
Base-Base interactions energy: -196.514
where: short stacking energy: -75.614
Base-Backbone interact. energy: 0.097
local terms energy: -87.250811
where:
bonds (distance) C4'-P energy: -17.506
bonds (distance) P-C4' energy: -20.514
flat angles C4'-P-C4' energy: -13.728
flat angles P-C4'-P energy: -11.603
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: 3, replica: 10
=====================================
Write number: 337
Temperature: 1.000000
Total energy: -278.028136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.028136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.028136 (E_RNA)
where:
Base-Base interactions energy: -192.540
where: short stacking energy: -75.681
Base-Backbone interact. energy: -0.402
local terms energy: -85.085927
where:
bonds (distance) C4'-P energy: -14.239
bonds (distance) P-C4' energy: -15.799
flat angles C4'-P-C4' energy: -21.508
flat angles P-C4'-P energy: -10.752
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: 8
=====================================
Write number: 337
Temperature: 1.050000
Total energy: -273.354450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.354450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.354450 (E_RNA)
where:
Base-Base interactions energy: -186.187
where: short stacking energy: -73.366
Base-Backbone interact. energy: -0.016
local terms energy: -87.151900
where:
bonds (distance) C4'-P energy: -17.592
bonds (distance) P-C4' energy: -18.896
flat angles C4'-P-C4' energy: -14.274
flat angles P-C4'-P energy: -8.077
tors. eta vs tors. theta energy: -28.314
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: 7
=====================================
Write number: 337
Temperature: 1.100000
Total energy: -278.040117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.040117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.040117 (E_RNA)
where:
Base-Base interactions energy: -191.678
where: short stacking energy: -70.219
Base-Backbone interact. energy: -0.379
local terms energy: -85.983142
where:
bonds (distance) C4'-P energy: -17.547
bonds (distance) P-C4' energy: -16.352
flat angles C4'-P-C4' energy: -17.210
flat angles P-C4'-P energy: -14.096
tors. eta vs tors. theta energy: -20.777
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: 6
=====================================
Write number: 337
Temperature: 1.150000
Total energy: -258.651956 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.651956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.651956 (E_RNA)
where:
Base-Base interactions energy: -177.719
where: short stacking energy: -75.320
Base-Backbone interact. energy: -0.105
local terms energy: -80.828065
where:
bonds (distance) C4'-P energy: -17.189
bonds (distance) P-C4' energy: -14.075
flat angles C4'-P-C4' energy: -16.616
flat angles P-C4'-P energy: -11.188
tors. eta vs tors. theta energy: -21.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 337
Temperature: 1.200000
Total energy: -227.252596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.252596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.252596 (E_RNA)
where:
Base-Base interactions energy: -153.186
where: short stacking energy: -55.926
Base-Backbone interact. energy: -0.092
local terms energy: -73.975385
where:
bonds (distance) C4'-P energy: -13.824
bonds (distance) P-C4' energy: -18.495
flat angles C4'-P-C4' energy: -13.846
flat angles P-C4'-P energy: -3.264
tors. eta vs tors. theta energy: -24.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 337
Temperature: 1.250000
Total energy: -86.758622 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.758622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.758622 (E_RNA)
where:
Base-Base interactions energy: -35.264
where: short stacking energy: -35.668
Base-Backbone interact. energy: -0.853
local terms energy: -50.642216
where:
bonds (distance) C4'-P energy: -14.188
bonds (distance) P-C4' energy: -11.923
flat angles C4'-P-C4' energy: -15.658
flat angles P-C4'-P energy: -7.875
tors. eta vs tors. theta energy: -0.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 337
Temperature: 1.300000
Total energy: -93.716005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.716005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.716005 (E_RNA)
where:
Base-Base interactions energy: -43.250
where: short stacking energy: -32.957
Base-Backbone interact. energy: -0.087
local terms energy: -50.378581
where:
bonds (distance) C4'-P energy: -9.046
bonds (distance) P-C4' energy: -13.851
flat angles C4'-P-C4' energy: -12.409
flat angles P-C4'-P energy: -9.273
tors. eta vs tors. theta energy: -5.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 337
Temperature: 1.350000
Total energy: -82.103891 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.103891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.103891 (E_RNA)
where:
Base-Base interactions energy: -39.519
where: short stacking energy: -27.402
Base-Backbone interact. energy: -0.053
local terms energy: -42.531993
where:
bonds (distance) C4'-P energy: -14.743
bonds (distance) P-C4' energy: -10.920
flat angles C4'-P-C4' energy: -10.194
flat angles P-C4'-P energy: -6.110
tors. eta vs tors. theta energy: -0.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 338
Temperature: 0.900000
Total energy: -295.165899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.165899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.165899 (E_RNA)
where:
Base-Base interactions energy: -202.090
where: short stacking energy: -83.526
Base-Backbone interact. energy: -1.036
local terms energy: -92.039458
where:
bonds (distance) C4'-P energy: -19.517
bonds (distance) P-C4' energy: -11.512
flat angles C4'-P-C4' energy: -18.718
flat angles P-C4'-P energy: -15.788
tors. eta vs tors. theta energy: -26.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 338
Temperature: 0.950000
Total energy: -280.255544 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.255544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.255544 (E_RNA)
where:
Base-Base interactions energy: -190.534
where: short stacking energy: -79.076
Base-Backbone interact. energy: -0.003
local terms energy: -89.719172
where:
bonds (distance) C4'-P energy: -19.338
bonds (distance) P-C4' energy: -12.754
flat angles C4'-P-C4' energy: -19.332
flat angles P-C4'-P energy: -12.281
tors. eta vs tors. theta energy: -26.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 338
Temperature: 1.000000
Total energy: -268.959679 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.959679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.959679 (E_RNA)
where:
Base-Base interactions energy: -183.993
where: short stacking energy: -67.943
Base-Backbone interact. energy: -0.252
local terms energy: -84.714768
where:
bonds (distance) C4'-P energy: -15.444
bonds (distance) P-C4' energy: -16.432
flat angles C4'-P-C4' energy: -18.247
flat angles P-C4'-P energy: -16.258
tors. eta vs tors. theta energy: -18.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 338
Temperature: 1.050000
Total energy: -275.429525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.429525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.429525 (E_RNA)
where:
Base-Base interactions energy: -192.260
where: short stacking energy: -80.116
Base-Backbone interact. energy: -0.102
local terms energy: -83.067061
where:
bonds (distance) C4'-P energy: -13.664
bonds (distance) P-C4' energy: -19.159
flat angles C4'-P-C4' energy: -17.606
flat angles P-C4'-P energy: -11.947
tors. eta vs tors. theta energy: -20.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 338
Temperature: 1.100000
Total energy: -273.738153 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.738153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.738153 (E_RNA)
where:
Base-Base interactions energy: -187.179
where: short stacking energy: -73.214
Base-Backbone interact. energy: -0.242
local terms energy: -86.317124
where:
bonds (distance) C4'-P energy: -14.437
bonds (distance) P-C4' energy: -19.077
flat angles C4'-P-C4' energy: -17.843
flat angles P-C4'-P energy: -15.225
tors. eta vs tors. theta energy: -19.735
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 338
Temperature: 1.150000
Total energy: -267.793943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.793943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.793943 (E_RNA)
where:
Base-Base interactions energy: -187.295
where: short stacking energy: -69.176
Base-Backbone interact. energy: 0.232
local terms energy: -80.730534
where:
bonds (distance) C4'-P energy: -15.574
bonds (distance) P-C4' energy: -17.591
flat angles C4'-P-C4' energy: -18.558
flat angles P-C4'-P energy: -12.860
tors. eta vs tors. theta energy: -16.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 338
Temperature: 1.200000
Total energy: -258.940754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.940754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.940754 (E_RNA)
where:
Base-Base interactions energy: -177.772
where: short stacking energy: -73.598
Base-Backbone interact. energy: 0.691
local terms energy: -81.859854
where:
bonds (distance) C4'-P energy: -14.537
bonds (distance) P-C4' energy: -17.563
flat angles C4'-P-C4' energy: -16.512
flat angles P-C4'-P energy: -10.933
tors. eta vs tors. theta energy: -22.315
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 338
Temperature: 1.250000
Total energy: -153.496227 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.496227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.496227 (E_RNA)
where:
Base-Base interactions energy: -90.949
where: short stacking energy: -40.772
Base-Backbone interact. energy: -0.460
local terms energy: -62.088130
where:
bonds (distance) C4'-P energy: -17.215
bonds (distance) P-C4' energy: -15.226
flat angles C4'-P-C4' energy: -11.492
flat angles P-C4'-P energy: -8.728
tors. eta vs tors. theta energy: -9.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 338
Temperature: 1.300000
Total energy: -86.209587 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.209587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.209587 (E_RNA)
where:
Base-Base interactions energy: -36.449
where: short stacking energy: -30.632
Base-Backbone interact. energy: 0.597
local terms energy: -50.357546
where:
bonds (distance) C4'-P energy: -12.826
bonds (distance) P-C4' energy: -16.534
flat angles C4'-P-C4' energy: -14.021
flat angles P-C4'-P energy: -8.122
tors. eta vs tors. theta energy: 1.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 338
Temperature: 1.350000
Total energy: -90.309919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.309919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.309919 (E_RNA)
where:
Base-Base interactions energy: -32.888
where: short stacking energy: -32.756
Base-Backbone interact. energy: -0.230
local terms energy: -57.191545
where:
bonds (distance) C4'-P energy: -12.318
bonds (distance) P-C4' energy: -15.283
flat angles C4'-P-C4' energy: -11.252
flat angles P-C4'-P energy: -12.898
tors. eta vs tors. theta energy: -5.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 339
Temperature: 0.900000
Total energy: -283.536209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.536209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.536209 (E_RNA)
where:
Base-Base interactions energy: -191.689
where: short stacking energy: -76.287
Base-Backbone interact. energy: -0.100
local terms energy: -91.747354
where:
bonds (distance) C4'-P energy: -16.657
bonds (distance) P-C4' energy: -18.161
flat angles C4'-P-C4' energy: -18.515
flat angles P-C4'-P energy: -13.221
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: 2, replica: 3
=====================================
Write number: 339
Temperature: 0.950000
Total energy: -288.526052 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.526052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.526052 (E_RNA)
where:
Base-Base interactions energy: -191.520
where: short stacking energy: -76.100
Base-Backbone interact. energy: -0.720
local terms energy: -96.286495
where:
bonds (distance) C4'-P energy: -19.392
bonds (distance) P-C4' energy: -20.197
flat angles C4'-P-C4' energy: -18.244
flat angles P-C4'-P energy: -14.160
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: 8
=====================================
Write number: 339
Temperature: 1.000000
Total energy: -275.769252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.769252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.769252 (E_RNA)
where:
Base-Base interactions energy: -183.407
where: short stacking energy: -70.415
Base-Backbone interact. energy: -0.178
local terms energy: -92.184489
where:
bonds (distance) C4'-P energy: -18.407
bonds (distance) P-C4' energy: -19.817
flat angles C4'-P-C4' energy: -19.463
flat angles P-C4'-P energy: -12.842
tors. eta vs tors. theta energy: -21.656
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 339
Temperature: 1.050000
Total energy: -268.371954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.371954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.371954 (E_RNA)
where:
Base-Base interactions energy: -188.946
where: short stacking energy: -67.544
Base-Backbone interact. energy: -0.114
local terms energy: -79.312252
where:
bonds (distance) C4'-P energy: -14.409
bonds (distance) P-C4' energy: -18.487
flat angles C4'-P-C4' energy: -17.075
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -18.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 339
Temperature: 1.100000
Total energy: -266.406060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.406060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.406060 (E_RNA)
where:
Base-Base interactions energy: -183.299
where: short stacking energy: -71.087
Base-Backbone interact. energy: -0.971
local terms energy: -82.135849
where:
bonds (distance) C4'-P energy: -17.163
bonds (distance) P-C4' energy: -12.355
flat angles C4'-P-C4' energy: -16.250
flat angles P-C4'-P energy: -12.552
tors. eta vs tors. theta energy: -23.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 339
Temperature: 1.150000
Total energy: -263.733608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.733608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.733608 (E_RNA)
where:
Base-Base interactions energy: -178.273
where: short stacking energy: -74.543
Base-Backbone interact. energy: -0.023
local terms energy: -85.438022
where:
bonds (distance) C4'-P energy: -14.867
bonds (distance) P-C4' energy: -15.159
flat angles C4'-P-C4' energy: -18.628
flat angles P-C4'-P energy: -12.524
tors. eta vs tors. theta energy: -24.259
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 339
Temperature: 1.200000
Total energy: -249.858229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.858229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.858229 (E_RNA)
where:
Base-Base interactions energy: -181.539
where: short stacking energy: -68.526
Base-Backbone interact. energy: -0.654
local terms energy: -67.665093
where:
bonds (distance) C4'-P energy: -17.615
bonds (distance) P-C4' energy: -12.960
flat angles C4'-P-C4' energy: -10.781
flat angles P-C4'-P energy: -13.564
tors. eta vs tors. theta energy: -12.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 339
Temperature: 1.250000
Total energy: -90.398374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.398374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.398374 (E_RNA)
where:
Base-Base interactions energy: -39.257
where: short stacking energy: -39.184
Base-Backbone interact. energy: 1.243
local terms energy: -52.384121
where:
bonds (distance) C4'-P energy: -9.764
bonds (distance) P-C4' energy: -15.858
flat angles C4'-P-C4' energy: -13.359
flat angles P-C4'-P energy: -10.189
tors. eta vs tors. theta energy: -3.214
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 339
Temperature: 1.300000
Total energy: -177.844325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.844325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.844325 (E_RNA)
where:
Base-Base interactions energy: -111.796
where: short stacking energy: -49.648
Base-Backbone interact. energy: -0.747
local terms energy: -65.301535
where:
bonds (distance) C4'-P energy: -16.698
bonds (distance) P-C4' energy: -14.644
flat angles C4'-P-C4' energy: -17.332
flat angles P-C4'-P energy: -9.204
tors. eta vs tors. theta energy: -7.424
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 339
Temperature: 1.350000
Total energy: -86.996522 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.996522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.996522 (E_RNA)
where:
Base-Base interactions energy: -39.602
where: short stacking energy: -32.393
Base-Backbone interact. energy: -0.801
local terms energy: -46.593671
where:
bonds (distance) C4'-P energy: -17.073
bonds (distance) P-C4' energy: -13.122
flat angles C4'-P-C4' energy: -14.592
flat angles P-C4'-P energy: -3.816
tors. eta vs tors. theta energy: 2.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 340
Temperature: 0.900000
Total energy: -292.119061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.119061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.119061 (E_RNA)
where:
Base-Base interactions energy: -202.623
where: short stacking energy: -84.150
Base-Backbone interact. energy: -0.002
local terms energy: -89.494159
where:
bonds (distance) C4'-P energy: -18.333
bonds (distance) P-C4' energy: -11.653
flat angles C4'-P-C4' energy: -20.816
flat angles P-C4'-P energy: -15.154
tors. eta vs tors. theta energy: -23.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 340
Temperature: 0.950000
Total energy: -283.198242 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.198242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.198242 (E_RNA)
where:
Base-Base interactions energy: -194.690
where: short stacking energy: -78.237
Base-Backbone interact. energy: -0.701
local terms energy: -87.807215
where:
bonds (distance) C4'-P energy: -17.402
bonds (distance) P-C4' energy: -19.452
flat angles C4'-P-C4' energy: -16.806
flat angles P-C4'-P energy: -10.118
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: 3, replica: 6
=====================================
Write number: 340
Temperature: 1.000000
Total energy: -272.100066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.100066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.100066 (E_RNA)
where:
Base-Base interactions energy: -180.554
where: short stacking energy: -75.855
Base-Backbone interact. energy: -0.057
local terms energy: -91.489173
where:
bonds (distance) C4'-P energy: -20.208
bonds (distance) P-C4' energy: -18.988
flat angles C4'-P-C4' energy: -15.925
flat angles P-C4'-P energy: -11.585
tors. eta vs tors. theta energy: -24.784
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: 8
=====================================
Write number: 340
Temperature: 1.050000
Total energy: -273.636947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.636947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.636947 (E_RNA)
where:
Base-Base interactions energy: -186.047
where: short stacking energy: -79.426
Base-Backbone interact. energy: -0.006
local terms energy: -87.583215
where:
bonds (distance) C4'-P energy: -17.152
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -21.075
flat angles P-C4'-P energy: -7.490
tors. eta vs tors. theta energy: -25.884
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: 10
=====================================
Write number: 340
Temperature: 1.100000
Total energy: -272.010877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.010877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.010877 (E_RNA)
where:
Base-Base interactions energy: -185.164
where: short stacking energy: -75.161
Base-Backbone interact. energy: -0.016
local terms energy: -86.831211
where:
bonds (distance) C4'-P energy: -16.446
bonds (distance) P-C4' energy: -16.014
flat angles C4'-P-C4' energy: -20.177
flat angles P-C4'-P energy: -11.899
tors. eta vs tors. theta energy: -22.295
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 340
Temperature: 1.150000
Total energy: -232.472335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.472335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.472335 (E_RNA)
where:
Base-Base interactions energy: -158.113
where: short stacking energy: -58.028
Base-Backbone interact. energy: -1.146
local terms energy: -73.212638
where:
bonds (distance) C4'-P energy: -14.941
bonds (distance) P-C4' energy: -11.810
flat angles C4'-P-C4' energy: -18.835
flat angles P-C4'-P energy: -11.460
tors. eta vs tors. theta energy: -16.167
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 340
Temperature: 1.200000
Total energy: -208.315079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.315079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.315079 (E_RNA)
where:
Base-Base interactions energy: -126.954
where: short stacking energy: -55.886
Base-Backbone interact. energy: -0.122
local terms energy: -81.239466
where:
bonds (distance) C4'-P energy: -14.615
bonds (distance) P-C4' energy: -18.850
flat angles C4'-P-C4' energy: -19.089
flat angles P-C4'-P energy: -12.790
tors. eta vs tors. theta energy: -15.896
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 340
Temperature: 1.250000
Total energy: -94.186353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.186353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.186353 (E_RNA)
where:
Base-Base interactions energy: -35.489
where: short stacking energy: -25.098
Base-Backbone interact. energy: -0.125
local terms energy: -58.572411
where:
bonds (distance) C4'-P energy: -16.701
bonds (distance) P-C4' energy: -20.005
flat angles C4'-P-C4' energy: -12.632
flat angles P-C4'-P energy: -9.566
tors. eta vs tors. theta energy: 0.332
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 340
Temperature: 1.300000
Total energy: -152.453155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.453155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.453155 (E_RNA)
where:
Base-Base interactions energy: -86.093
where: short stacking energy: -43.862
Base-Backbone interact. energy: -0.225
local terms energy: -66.134631
where:
bonds (distance) C4'-P energy: -12.722
bonds (distance) P-C4' energy: -16.554
flat angles C4'-P-C4' energy: -17.935
flat angles P-C4'-P energy: -9.405
tors. eta vs tors. theta energy: -9.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 340
Temperature: 1.350000
Total energy: -80.371701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.371701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.371701 (E_RNA)
where:
Base-Base interactions energy: -25.217
where: short stacking energy: -18.708
Base-Backbone interact. energy: 0.645
local terms energy: -55.799451
where:
bonds (distance) C4'-P energy: -13.788
bonds (distance) P-C4' energy: -17.703
flat angles C4'-P-C4' energy: -17.833
flat angles P-C4'-P energy: -12.107
tors. eta vs tors. theta energy: 5.632
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 341
Temperature: 0.900000
Total energy: -293.346902 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.346902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.346902 (E_RNA)
where:
Base-Base interactions energy: -192.161
where: short stacking energy: -75.380
Base-Backbone interact. energy: -0.593
local terms energy: -100.592255
where:
bonds (distance) C4'-P energy: -19.471
bonds (distance) P-C4' energy: -20.849
flat angles C4'-P-C4' energy: -20.756
flat angles P-C4'-P energy: -15.224
tors. eta vs tors. theta energy: -24.292
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: 5
=====================================
Write number: 341
Temperature: 0.950000
Total energy: -285.529384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.529384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.529384 (E_RNA)
where:
Base-Base interactions energy: -195.286
where: short stacking energy: -77.836
Base-Backbone interact. energy: -0.150
local terms energy: -90.092908
where:
bonds (distance) C4'-P energy: -16.332
bonds (distance) P-C4' energy: -17.935
flat angles C4'-P-C4' energy: -19.496
flat angles P-C4'-P energy: -12.321
tors. eta vs tors. theta energy: -24.009
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: 6
=====================================
Write number: 341
Temperature: 1.000000
Total energy: -275.521976 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.521976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.521976 (E_RNA)
where:
Base-Base interactions energy: -186.825
where: short stacking energy: -74.105
Base-Backbone interact. energy: -1.195
local terms energy: -87.502090
where:
bonds (distance) C4'-P energy: -17.653
bonds (distance) P-C4' energy: -19.101
flat angles C4'-P-C4' energy: -16.096
flat angles P-C4'-P energy: -11.452
tors. eta vs tors. theta energy: -23.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 341
Temperature: 1.050000
Total energy: -274.096317 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.096317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.096317 (E_RNA)
where:
Base-Base interactions energy: -192.331
where: short stacking energy: -77.527
Base-Backbone interact. energy: -0.108
local terms energy: -81.657089
where:
bonds (distance) C4'-P energy: -13.293
bonds (distance) P-C4' energy: -16.029
flat angles C4'-P-C4' energy: -16.079
flat angles P-C4'-P energy: -15.787
tors. eta vs tors. theta energy: -20.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 341
Temperature: 1.100000
Total energy: -267.061420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.061420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.061420 (E_RNA)
where:
Base-Base interactions energy: -179.460
where: short stacking energy: -72.440
Base-Backbone interact. energy: -1.769
local terms energy: -85.831612
where:
bonds (distance) C4'-P energy: -15.874
bonds (distance) P-C4' energy: -17.032
flat angles C4'-P-C4' energy: -13.672
flat angles P-C4'-P energy: -14.774
tors. eta vs tors. theta energy: -24.480
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 341
Temperature: 1.150000
Total energy: -203.361853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.361853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.361853 (E_RNA)
where:
Base-Base interactions energy: -139.731
where: short stacking energy: -56.763
Base-Backbone interact. energy: -0.105
local terms energy: -63.525964
where:
bonds (distance) C4'-P energy: -11.683
bonds (distance) P-C4' energy: -16.756
flat angles C4'-P-C4' energy: -15.994
flat angles P-C4'-P energy: -10.652
tors. eta vs tors. theta energy: -8.441
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: 9
=====================================
Write number: 341
Temperature: 1.200000
Total energy: -197.791263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.791263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.791263 (E_RNA)
where:
Base-Base interactions energy: -126.561
where: short stacking energy: -55.066
Base-Backbone interact. energy: -1.240
local terms energy: -69.990460
where:
bonds (distance) C4'-P energy: -13.298
bonds (distance) P-C4' energy: -17.396
flat angles C4'-P-C4' energy: -17.606
flat angles P-C4'-P energy: -10.928
tors. eta vs tors. theta energy: -10.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 341
Temperature: 1.250000
Total energy: -162.639464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.639464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.639464 (E_RNA)
where:
Base-Base interactions energy: -101.304
where: short stacking energy: -32.591
Base-Backbone interact. energy: -0.373
local terms energy: -60.961997
where:
bonds (distance) C4'-P energy: -14.673
bonds (distance) P-C4' energy: -17.767
flat angles C4'-P-C4' energy: -14.461
flat angles P-C4'-P energy: -7.980
tors. eta vs tors. theta energy: -6.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 341
Temperature: 1.300000
Total energy: -88.885039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.885039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.885039 (E_RNA)
where:
Base-Base interactions energy: -26.366
where: short stacking energy: -28.366
Base-Backbone interact. energy: -0.690
local terms energy: -61.828821
where:
bonds (distance) C4'-P energy: -19.911
bonds (distance) P-C4' energy: -16.797
flat angles C4'-P-C4' energy: -13.500
flat angles P-C4'-P energy: -8.335
tors. eta vs tors. theta energy: -3.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 341
Temperature: 1.350000
Total energy: -80.231368 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.231368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.231368 (E_RNA)
where:
Base-Base interactions energy: -33.496
where: short stacking energy: -32.457
Base-Backbone interact. energy: -0.580
local terms energy: -46.154865
where:
bonds (distance) C4'-P energy: -11.461
bonds (distance) P-C4' energy: -12.981
flat angles C4'-P-C4' energy: -13.376
flat angles P-C4'-P energy: -6.201
tors. eta vs tors. theta energy: -2.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 342
Temperature: 0.900000
Total energy: -284.332881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.332881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.332881 (E_RNA)
where:
Base-Base interactions energy: -198.021
where: short stacking energy: -78.401
Base-Backbone interact. energy: -0.093
local terms energy: -86.218895
where:
bonds (distance) C4'-P energy: -16.196
bonds (distance) P-C4' energy: -18.741
flat angles C4'-P-C4' energy: -17.671
flat angles P-C4'-P energy: -11.537
tors. eta vs tors. theta energy: -22.073
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: 342
Temperature: 0.950000
Total energy: -289.453947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.453947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.453947 (E_RNA)
where:
Base-Base interactions energy: -196.408
where: short stacking energy: -75.909
Base-Backbone interact. energy: -0.014
local terms energy: -93.031884
where:
bonds (distance) C4'-P energy: -19.405
bonds (distance) P-C4' energy: -17.560
flat angles C4'-P-C4' energy: -21.064
flat angles P-C4'-P energy: -10.481
tors. eta vs tors. theta energy: -24.522
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 342
Temperature: 1.000000
Total energy: -279.849125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.849125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.849125 (E_RNA)
where:
Base-Base interactions energy: -186.548
where: short stacking energy: -73.474
Base-Backbone interact. energy: -0.046
local terms energy: -93.255794
where:
bonds (distance) C4'-P energy: -17.385
bonds (distance) P-C4' energy: -19.503
flat angles C4'-P-C4' energy: -18.296
flat angles P-C4'-P energy: -12.087
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: 4, replica: 6
=====================================
Write number: 342
Temperature: 1.050000
Total energy: -267.272608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.272608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.272608 (E_RNA)
where:
Base-Base interactions energy: -172.176
where: short stacking energy: -71.723
Base-Backbone interact. energy: -0.034
local terms energy: -95.062990
where:
bonds (distance) C4'-P energy: -16.597
bonds (distance) P-C4' energy: -21.050
flat angles C4'-P-C4' energy: -20.597
flat angles P-C4'-P energy: -13.379
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: 5, replica: 10
=====================================
Write number: 342
Temperature: 1.100000
Total energy: -273.387827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.387827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.387827 (E_RNA)
where:
Base-Base interactions energy: -190.905
where: short stacking energy: -73.249
Base-Backbone interact. energy: -0.809
local terms energy: -81.674215
where:
bonds (distance) C4'-P energy: -16.634
bonds (distance) P-C4' energy: -19.526
flat angles C4'-P-C4' energy: -18.043
flat angles P-C4'-P energy: -11.213
tors. eta vs tors. theta energy: -16.258
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 342
Temperature: 1.150000
Total energy: -234.354841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.354841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.354841 (E_RNA)
where:
Base-Base interactions energy: -163.570
where: short stacking energy: -66.847
Base-Backbone interact. energy: 2.262
local terms energy: -73.047068
where:
bonds (distance) C4'-P energy: -17.984
bonds (distance) P-C4' energy: -17.453
flat angles C4'-P-C4' energy: -12.287
flat angles P-C4'-P energy: -10.068
tors. eta vs tors. theta energy: -15.254
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 342
Temperature: 1.200000
Total energy: -149.528561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.528561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.528561 (E_RNA)
where:
Base-Base interactions energy: -85.454
where: short stacking energy: -38.762
Base-Backbone interact. energy: -0.382
local terms energy: -63.692560
where:
bonds (distance) C4'-P energy: -18.498
bonds (distance) P-C4' energy: -12.925
flat angles C4'-P-C4' energy: -16.204
flat angles P-C4'-P energy: -10.034
tors. eta vs tors. theta energy: -6.031
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 342
Temperature: 1.250000
Total energy: -160.843408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.843408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.843408 (E_RNA)
where:
Base-Base interactions energy: -94.906
where: short stacking energy: -40.436
Base-Backbone interact. energy: -1.559
local terms energy: -64.378577
where:
bonds (distance) C4'-P energy: -18.398
bonds (distance) P-C4' energy: -11.299
flat angles C4'-P-C4' energy: -16.197
flat angles P-C4'-P energy: -11.941
tors. eta vs tors. theta energy: -6.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 342
Temperature: 1.300000
Total energy: -83.415501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.415501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.415501 (E_RNA)
where:
Base-Base interactions energy: -27.919
where: short stacking energy: -13.502
Base-Backbone interact. energy: -0.304
local terms energy: -55.191595
where:
bonds (distance) C4'-P energy: -17.307
bonds (distance) P-C4' energy: -15.778
flat angles C4'-P-C4' energy: -12.668
flat angles P-C4'-P energy: -8.588
tors. eta vs tors. theta energy: -0.851
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 342
Temperature: 1.350000
Total energy: -87.393767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.393767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.393767 (E_RNA)
where:
Base-Base interactions energy: -40.851
where: short stacking energy: -33.939
Base-Backbone interact. energy: -0.593
local terms energy: -45.949545
where:
bonds (distance) C4'-P energy: -13.530
bonds (distance) P-C4' energy: -11.143
flat angles C4'-P-C4' energy: -12.345
flat angles P-C4'-P energy: -5.246
tors. eta vs tors. theta energy: -3.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 343
Temperature: 0.900000
Total energy: -286.306084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.306084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.306084 (E_RNA)
where:
Base-Base interactions energy: -204.793
where: short stacking energy: -85.015
Base-Backbone interact. energy: -0.300
local terms energy: -81.213339
where:
bonds (distance) C4'-P energy: -16.035
bonds (distance) P-C4' energy: -14.601
flat angles C4'-P-C4' energy: -16.875
flat angles P-C4'-P energy: -11.263
tors. eta vs tors. theta energy: -22.439
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 343
Temperature: 0.950000
Total energy: -285.932111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.932111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.932111 (E_RNA)
where:
Base-Base interactions energy: -195.805
where: short stacking energy: -85.952
Base-Backbone interact. energy: -0.059
local terms energy: -90.068311
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -16.042
flat angles C4'-P-C4' energy: -17.565
flat angles P-C4'-P energy: -14.513
tors. eta vs tors. theta energy: -25.552
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: 3, replica: 3
=====================================
Write number: 343
Temperature: 1.000000
Total energy: -282.527051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.527051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.527051 (E_RNA)
where:
Base-Base interactions energy: -198.951
where: short stacking energy: -78.939
Base-Backbone interact. energy: -0.003
local terms energy: -83.573003
where:
bonds (distance) C4'-P energy: -14.706
bonds (distance) P-C4' energy: -15.642
flat angles C4'-P-C4' energy: -17.612
flat angles P-C4'-P energy: -12.517
tors. eta vs tors. theta energy: -23.096
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: 10
=====================================
Write number: 343
Temperature: 1.050000
Total energy: -283.043253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.043253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.043253 (E_RNA)
where:
Base-Base interactions energy: -196.579
where: short stacking energy: -82.984
Base-Backbone interact. energy: -0.005
local terms energy: -86.459327
where:
bonds (distance) C4'-P energy: -16.069
bonds (distance) P-C4' energy: -14.388
flat angles C4'-P-C4' energy: -17.232
flat angles P-C4'-P energy: -14.027
tors. eta vs tors. theta energy: -24.744
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 343
Temperature: 1.100000
Total energy: -269.986946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.986946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.986946 (E_RNA)
where:
Base-Base interactions energy: -189.426
where: short stacking energy: -67.389
Base-Backbone interact. energy: -0.323
local terms energy: -80.238065
where:
bonds (distance) C4'-P energy: -19.774
bonds (distance) P-C4' energy: -14.549
flat angles C4'-P-C4' energy: -14.409
flat angles P-C4'-P energy: -7.011
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: 6, replica: 7
=====================================
Write number: 343
Temperature: 1.150000
Total energy: -258.334029 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.334029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.334029 (E_RNA)
where:
Base-Base interactions energy: -172.488
where: short stacking energy: -73.688
Base-Backbone interact. energy: -2.105
local terms energy: -83.740708
where:
bonds (distance) C4'-P energy: -17.577
bonds (distance) P-C4' energy: -15.253
flat angles C4'-P-C4' energy: -18.860
flat angles P-C4'-P energy: -10.726
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: 7, replica: 2
=====================================
Write number: 343
Temperature: 1.200000
Total energy: -176.375408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.375408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.375408 (E_RNA)
where:
Base-Base interactions energy: -100.748
where: short stacking energy: -51.381
Base-Backbone interact. energy: -0.277
local terms energy: -75.349572
where:
bonds (distance) C4'-P energy: -14.838
bonds (distance) P-C4' energy: -15.832
flat angles C4'-P-C4' energy: -18.009
flat angles P-C4'-P energy: -13.482
tors. eta vs tors. theta energy: -13.189
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 343
Temperature: 1.250000
Total energy: -147.269673 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.269673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.269673 (E_RNA)
where:
Base-Base interactions energy: -94.436
where: short stacking energy: -37.311
Base-Backbone interact. energy: -0.666
local terms energy: -52.167214
where:
bonds (distance) C4'-P energy: -11.442
bonds (distance) P-C4' energy: -14.536
flat angles C4'-P-C4' energy: -16.439
flat angles P-C4'-P energy: -8.398
tors. eta vs tors. theta energy: -1.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 343
Temperature: 1.300000
Total energy: -99.269779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.269779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.269779 (E_RNA)
where:
Base-Base interactions energy: -44.477
where: short stacking energy: -36.030
Base-Backbone interact. energy: -1.034
local terms energy: -53.758844
where:
bonds (distance) C4'-P energy: -11.393
bonds (distance) P-C4' energy: -18.253
flat angles C4'-P-C4' energy: -11.050
flat angles P-C4'-P energy: -6.444
tors. eta vs tors. theta energy: -6.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 343
Temperature: 1.350000
Total energy: -86.911880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.911880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.911880 (E_RNA)
where:
Base-Base interactions energy: -31.778
where: short stacking energy: -21.594
Base-Backbone interact. energy: -0.278
local terms energy: -54.855844
where:
bonds (distance) C4'-P energy: -19.736
bonds (distance) P-C4' energy: -17.033
flat angles C4'-P-C4' energy: -10.884
flat angles P-C4'-P energy: -7.952
tors. eta vs tors. theta energy: 0.750
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: 1, replica: 5
=====================================
Write number: 344
Temperature: 0.900000
Total energy: -283.871776 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.871776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.871776 (E_RNA)
where:
Base-Base interactions energy: -195.650
where: short stacking energy: -73.562
Base-Backbone interact. energy: -0.246
local terms energy: -87.975879
where:
bonds (distance) C4'-P energy: -19.632
bonds (distance) P-C4' energy: -15.495
flat angles C4'-P-C4' energy: -14.929
flat angles P-C4'-P energy: -14.127
tors. eta vs tors. theta energy: -23.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 344
Temperature: 0.950000
Total energy: -282.081969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.081969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.081969 (E_RNA)
where:
Base-Base interactions energy: -194.715
where: short stacking energy: -75.611
Base-Backbone interact. energy: -0.002
local terms energy: -87.365384
where:
bonds (distance) C4'-P energy: -17.253
bonds (distance) P-C4' energy: -18.133
flat angles C4'-P-C4' energy: -17.311
flat angles P-C4'-P energy: -11.873
tors. eta vs tors. theta energy: -22.796
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 344
Temperature: 1.000000
Total energy: -277.226892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.226892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.226892 (E_RNA)
where:
Base-Base interactions energy: -190.425
where: short stacking energy: -75.802
Base-Backbone interact. energy: -0.074
local terms energy: -86.727131
where:
bonds (distance) C4'-P energy: -19.472
bonds (distance) P-C4' energy: -11.911
flat angles C4'-P-C4' energy: -21.128
flat angles P-C4'-P energy: -8.432
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: 4, replica: 3
=====================================
Write number: 344
Temperature: 1.050000
Total energy: -266.476623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.476623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.476623 (E_RNA)
where:
Base-Base interactions energy: -181.403
where: short stacking energy: -67.315
Base-Backbone interact. energy: -0.010
local terms energy: -85.063714
where:
bonds (distance) C4'-P energy: -17.331
bonds (distance) P-C4' energy: -16.103
flat angles C4'-P-C4' energy: -19.633
flat angles P-C4'-P energy: -14.172
tors. eta vs tors. theta energy: -17.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 344
Temperature: 1.100000
Total energy: -270.310408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.310408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.310408 (E_RNA)
where:
Base-Base interactions energy: -191.042
where: short stacking energy: -75.639
Base-Backbone interact. energy: -0.121
local terms energy: -79.147777
where:
bonds (distance) C4'-P energy: -16.092
bonds (distance) P-C4' energy: -8.838
flat angles C4'-P-C4' energy: -17.779
flat angles P-C4'-P energy: -14.229
tors. eta vs tors. theta energy: -22.209
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: 344
Temperature: 1.150000
Total energy: -261.189086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.189086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.189086 (E_RNA)
where:
Base-Base interactions energy: -181.839
where: short stacking energy: -70.060
Base-Backbone interact. energy: -2.348
local terms energy: -77.002337
where:
bonds (distance) C4'-P energy: -8.600
bonds (distance) P-C4' energy: -16.072
flat angles C4'-P-C4' energy: -17.499
flat angles P-C4'-P energy: -12.928
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: 9
=====================================
Write number: 344
Temperature: 1.200000
Total energy: -167.327730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.327730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.327730 (E_RNA)
where:
Base-Base interactions energy: -94.562
where: short stacking energy: -46.838
Base-Backbone interact. energy: -0.176
local terms energy: -72.589376
where:
bonds (distance) C4'-P energy: -13.263
bonds (distance) P-C4' energy: -19.961
flat angles C4'-P-C4' energy: -12.663
flat angles P-C4'-P energy: -14.576
tors. eta vs tors. theta energy: -12.126
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: 2
=====================================
Write number: 344
Temperature: 1.250000
Total energy: -167.146004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.146004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.146004 (E_RNA)
where:
Base-Base interactions energy: -103.320
where: short stacking energy: -41.765
Base-Backbone interact. energy: -0.298
local terms energy: -63.527497
where:
bonds (distance) C4'-P energy: -16.404
bonds (distance) P-C4' energy: -14.552
flat angles C4'-P-C4' energy: -14.739
flat angles P-C4'-P energy: -10.058
tors. eta vs tors. theta energy: -7.776
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: 9, replica: 4
=====================================
Write number: 344
Temperature: 1.300000
Total energy: -88.614911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.614911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.614911 (E_RNA)
where:
Base-Base interactions energy: -51.867
where: short stacking energy: -31.961
Base-Backbone interact. energy: -0.279
local terms energy: -36.469123
where:
bonds (distance) C4'-P energy: -12.247
bonds (distance) P-C4' energy: -13.025
flat angles C4'-P-C4' energy: -9.393
flat angles P-C4'-P energy: -2.104
tors. eta vs tors. theta energy: 0.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 344
Temperature: 1.350000
Total energy: -86.820401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.820401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.820401 (E_RNA)
where:
Base-Base interactions energy: -27.463
where: short stacking energy: -26.920
Base-Backbone interact. energy: 1.094
local terms energy: -60.451684
where:
bonds (distance) C4'-P energy: -16.479
bonds (distance) P-C4' energy: -17.541
flat angles C4'-P-C4' energy: -12.281
flat angles P-C4'-P energy: -14.387
tors. eta vs tors. theta energy: 0.236
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: 5
=====================================
Write number: 345
Temperature: 0.900000
Total energy: -285.756258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.756258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.756258 (E_RNA)
where:
Base-Base interactions energy: -200.235
where: short stacking energy: -77.788
Base-Backbone interact. energy: -0.418
local terms energy: -85.102793
where:
bonds (distance) C4'-P energy: -18.014
bonds (distance) P-C4' energy: -16.045
flat angles C4'-P-C4' energy: -17.740
flat angles P-C4'-P energy: -12.567
tors. eta vs tors. theta energy: -20.737
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 345
Temperature: 0.950000
Total energy: -284.293888 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.293888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.293888 (E_RNA)
where:
Base-Base interactions energy: -193.466
where: short stacking energy: -80.037
Base-Backbone interact. energy: -2.831
local terms energy: -87.996706
where:
bonds (distance) C4'-P energy: -10.794
bonds (distance) P-C4' energy: -20.700
flat angles C4'-P-C4' energy: -14.341
flat angles P-C4'-P energy: -15.631
tors. eta vs tors. theta energy: -26.530
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: 8
=====================================
Write number: 345
Temperature: 1.000000
Total energy: -290.448294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.448294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.448294 (E_RNA)
where:
Base-Base interactions energy: -194.372
where: short stacking energy: -76.975
Base-Backbone interact. energy: 0.121
local terms energy: -96.196834
where:
bonds (distance) C4'-P energy: -17.642
bonds (distance) P-C4' energy: -18.715
flat angles C4'-P-C4' energy: -20.545
flat angles P-C4'-P energy: -16.459
tors. eta vs tors. theta energy: -22.835
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: 345
Temperature: 1.050000
Total energy: -274.543953 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.543953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.543953 (E_RNA)
where:
Base-Base interactions energy: -191.168
where: short stacking energy: -76.831
Base-Backbone interact. energy: -0.179
local terms energy: -83.197133
where:
bonds (distance) C4'-P energy: -16.826
bonds (distance) P-C4' energy: -18.108
flat angles C4'-P-C4' energy: -17.096
flat angles P-C4'-P energy: -10.132
tors. eta vs tors. theta energy: -21.036
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: 3
=====================================
Write number: 345
Temperature: 1.100000
Total energy: -267.593376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.593376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.593376 (E_RNA)
where:
Base-Base interactions energy: -185.169
where: short stacking energy: -77.797
Base-Backbone interact. energy: -0.098
local terms energy: -82.326180
where:
bonds (distance) C4'-P energy: -10.175
bonds (distance) P-C4' energy: -20.697
flat angles C4'-P-C4' energy: -18.284
flat angles P-C4'-P energy: -8.932
tors. eta vs tors. theta energy: -24.239
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: 6
=====================================
Write number: 345
Temperature: 1.150000
Total energy: -264.405293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.405293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.405293 (E_RNA)
where:
Base-Base interactions energy: -179.065
where: short stacking energy: -76.884
Base-Backbone interact. energy: -0.063
local terms energy: -85.276906
where:
bonds (distance) C4'-P energy: -17.426
bonds (distance) P-C4' energy: -15.802
flat angles C4'-P-C4' energy: -18.685
flat angles P-C4'-P energy: -8.825
tors. eta vs tors. theta energy: -24.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 345
Temperature: 1.200000
Total energy: -182.405361 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.405361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.405361 (E_RNA)
where:
Base-Base interactions energy: -110.778
where: short stacking energy: -55.363
Base-Backbone interact. energy: -0.482
local terms energy: -71.144851
where:
bonds (distance) C4'-P energy: -12.772
bonds (distance) P-C4' energy: -14.943
flat angles C4'-P-C4' energy: -16.274
flat angles P-C4'-P energy: -12.778
tors. eta vs tors. theta energy: -14.378
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: 2
=====================================
Write number: 345
Temperature: 1.250000
Total energy: -155.843245 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.843245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.843245 (E_RNA)
where:
Base-Base interactions energy: -87.890
where: short stacking energy: -32.107
Base-Backbone interact. energy: -0.109
local terms energy: -67.844745
where:
bonds (distance) C4'-P energy: -18.262
bonds (distance) P-C4' energy: -15.101
flat angles C4'-P-C4' energy: -15.890
flat angles P-C4'-P energy: -13.030
tors. eta vs tors. theta energy: -5.562
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: 4
=====================================
Write number: 345
Temperature: 1.300000
Total energy: -94.293712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.293712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.293712 (E_RNA)
where:
Base-Base interactions energy: -31.953
where: short stacking energy: -20.594
Base-Backbone interact. energy: 0.006
local terms energy: -62.346467
where:
bonds (distance) C4'-P energy: -18.698
bonds (distance) P-C4' energy: -16.074
flat angles C4'-P-C4' energy: -13.731
flat angles P-C4'-P energy: -13.595
tors. eta vs tors. theta energy: -0.248
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: 1
=====================================
Write number: 345
Temperature: 1.350000
Total energy: -87.666971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.666971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.666971 (E_RNA)
where:
Base-Base interactions energy: -25.873
where: short stacking energy: -25.873
Base-Backbone interact. energy: -0.093
local terms energy: -61.700309
where:
bonds (distance) C4'-P energy: -19.425
bonds (distance) P-C4' energy: -14.975
flat angles C4'-P-C4' energy: -9.893
flat angles P-C4'-P energy: -11.120
tors. eta vs tors. theta energy: -6.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 346
Temperature: 0.900000
Total energy: -290.413273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.413273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.413273 (E_RNA)
where:
Base-Base interactions energy: -202.071
where: short stacking energy: -83.119
Base-Backbone interact. energy: -0.376
local terms energy: -87.966844
where:
bonds (distance) C4'-P energy: -17.343
bonds (distance) P-C4' energy: -16.181
flat angles C4'-P-C4' energy: -19.064
flat angles P-C4'-P energy: -12.934
tors. eta vs tors. theta energy: -22.445
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 346
Temperature: 0.950000
Total energy: -287.107616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.107616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.107616 (E_RNA)
where:
Base-Base interactions energy: -195.793
where: short stacking energy: -80.098
Base-Backbone interact. energy: -0.007
local terms energy: -91.307309
where:
bonds (distance) C4'-P energy: -15.310
bonds (distance) P-C4' energy: -15.785
flat angles C4'-P-C4' energy: -19.999
flat angles P-C4'-P energy: -13.754
tors. eta vs tors. theta energy: -26.460
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: 7
=====================================
Write number: 346
Temperature: 1.000000
Total energy: -282.746731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.746731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.746731 (E_RNA)
where:
Base-Base interactions energy: -193.290
where: short stacking energy: -79.183
Base-Backbone interact. energy: -0.787
local terms energy: -88.669483
where:
bonds (distance) C4'-P energy: -14.528
bonds (distance) P-C4' energy: -14.159
flat angles C4'-P-C4' energy: -19.705
flat angles P-C4'-P energy: -15.592
tors. eta vs tors. theta energy: -24.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 346
Temperature: 1.050000
Total energy: -282.132271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.132271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.132271 (E_RNA)
where:
Base-Base interactions energy: -191.671
where: short stacking energy: -78.579
Base-Backbone interact. energy: -0.090
local terms energy: -90.371444
where:
bonds (distance) C4'-P energy: -18.483
bonds (distance) P-C4' energy: -18.572
flat angles C4'-P-C4' energy: -18.075
flat angles P-C4'-P energy: -14.545
tors. eta vs tors. theta energy: -20.696
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 346
Temperature: 1.100000
Total energy: -273.886096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.886096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.886096 (E_RNA)
where:
Base-Base interactions energy: -190.830
where: short stacking energy: -74.062
Base-Backbone interact. energy: -0.435
local terms energy: -82.620810
where:
bonds (distance) C4'-P energy: -18.341
bonds (distance) P-C4' energy: -14.545
flat angles C4'-P-C4' energy: -12.475
flat angles P-C4'-P energy: -14.803
tors. eta vs tors. theta energy: -22.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 346
Temperature: 1.150000
Total energy: -261.149884 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.149884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.149884 (E_RNA)
where:
Base-Base interactions energy: -167.080
where: short stacking energy: -69.592
Base-Backbone interact. energy: -1.041
local terms energy: -93.028416
where:
bonds (distance) C4'-P energy: -17.936
bonds (distance) P-C4' energy: -17.255
flat angles C4'-P-C4' energy: -17.832
flat angles P-C4'-P energy: -14.724
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: 7, replica: 2
=====================================
Write number: 346
Temperature: 1.200000
Total energy: -200.467481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.467481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.467481 (E_RNA)
where:
Base-Base interactions energy: -131.791
where: short stacking energy: -58.477
Base-Backbone interact. energy: -0.028
local terms energy: -68.648740
where:
bonds (distance) C4'-P energy: -13.612
bonds (distance) P-C4' energy: -14.679
flat angles C4'-P-C4' energy: -17.673
flat angles P-C4'-P energy: -10.593
tors. eta vs tors. theta energy: -12.091
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 346
Temperature: 1.250000
Total energy: -162.320258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.320258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.320258 (E_RNA)
where:
Base-Base interactions energy: -91.261
where: short stacking energy: -42.365
Base-Backbone interact. energy: -0.086
local terms energy: -70.973795
where:
bonds (distance) C4'-P energy: -16.975
bonds (distance) P-C4' energy: -18.188
flat angles C4'-P-C4' energy: -15.078
flat angles P-C4'-P energy: -8.925
tors. eta vs tors. theta energy: -11.808
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 346
Temperature: 1.300000
Total energy: -81.561187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.561187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.561187 (E_RNA)
where:
Base-Base interactions energy: -29.522
where: short stacking energy: -28.080
Base-Backbone interact. energy: -0.022
local terms energy: -52.017063
where:
bonds (distance) C4'-P energy: -13.421
bonds (distance) P-C4' energy: -18.496
flat angles C4'-P-C4' energy: -9.142
flat angles P-C4'-P energy: -10.738
tors. eta vs tors. theta energy: -0.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 346
Temperature: 1.350000
Total energy: -84.309633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.309633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.309633 (E_RNA)
where:
Base-Base interactions energy: -22.693
where: short stacking energy: -20.330
Base-Backbone interact. energy: 1.114
local terms energy: -62.729992
where:
bonds (distance) C4'-P energy: -11.954
bonds (distance) P-C4' energy: -12.031
flat angles C4'-P-C4' energy: -19.635
flat angles P-C4'-P energy: -14.783
tors. eta vs tors. theta energy: -4.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 347
Temperature: 0.900000
Total energy: -287.803867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.803867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.803867 (E_RNA)
where:
Base-Base interactions energy: -189.065
where: short stacking energy: -71.340
Base-Backbone interact. energy: -0.227
local terms energy: -98.512062
where:
bonds (distance) C4'-P energy: -20.042
bonds (distance) P-C4' energy: -20.355
flat angles C4'-P-C4' energy: -19.159
flat angles P-C4'-P energy: -15.853
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: 7
=====================================
Write number: 347
Temperature: 0.950000
Total energy: -287.339491 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.339491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.339491 (E_RNA)
where:
Base-Base interactions energy: -197.284
where: short stacking energy: -81.311
Base-Backbone interact. energy: -1.525
local terms energy: -88.530454
where:
bonds (distance) C4'-P energy: -15.978
bonds (distance) P-C4' energy: -20.057
flat angles C4'-P-C4' energy: -17.256
flat angles P-C4'-P energy: -9.704
tors. eta vs tors. theta energy: -25.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 347
Temperature: 1.000000
Total energy: -278.684493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.684493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.684493 (E_RNA)
where:
Base-Base interactions energy: -189.291
where: short stacking energy: -79.140
Base-Backbone interact. energy: 1.877
local terms energy: -91.270590
where:
bonds (distance) C4'-P energy: -19.070
bonds (distance) P-C4' energy: -16.651
flat angles C4'-P-C4' energy: -15.729
flat angles P-C4'-P energy: -13.526
tors. eta vs tors. theta energy: -26.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 347
Temperature: 1.050000
Total energy: -279.742178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.742178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.742178 (E_RNA)
where:
Base-Base interactions energy: -188.904
where: short stacking energy: -79.425
Base-Backbone interact. energy: -0.489
local terms energy: -90.349241
where:
bonds (distance) C4'-P energy: -15.570
bonds (distance) P-C4' energy: -15.418
flat angles C4'-P-C4' energy: -18.455
flat angles P-C4'-P energy: -14.889
tors. eta vs tors. theta energy: -26.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 347
Temperature: 1.100000
Total energy: -266.412257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.412257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.412257 (E_RNA)
where:
Base-Base interactions energy: -185.628
where: short stacking energy: -67.593
Base-Backbone interact. energy: 0.260
local terms energy: -81.044113
where:
bonds (distance) C4'-P energy: -14.231
bonds (distance) P-C4' energy: -19.098
flat angles C4'-P-C4' energy: -15.675
flat angles P-C4'-P energy: -13.826
tors. eta vs tors. theta energy: -18.214
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: 6, replica: 6
=====================================
Write number: 347
Temperature: 1.150000
Total energy: -262.277799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.277799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.277799 (E_RNA)
where:
Base-Base interactions energy: -187.354
where: short stacking energy: -76.842
Base-Backbone interact. energy: -0.056
local terms energy: -74.867595
where:
bonds (distance) C4'-P energy: -14.716
bonds (distance) P-C4' energy: -12.921
flat angles C4'-P-C4' energy: -15.341
flat angles P-C4'-P energy: -8.971
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: 2
=====================================
Write number: 347
Temperature: 1.200000
Total energy: -201.018738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.018738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.018738 (E_RNA)
where:
Base-Base interactions energy: -130.175
where: short stacking energy: -52.598
Base-Backbone interact. energy: -0.205
local terms energy: -70.638119
where:
bonds (distance) C4'-P energy: -15.587
bonds (distance) P-C4' energy: -19.452
flat angles C4'-P-C4' energy: -16.561
flat angles P-C4'-P energy: -8.730
tors. eta vs tors. theta energy: -10.308
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 347
Temperature: 1.250000
Total energy: -90.643258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.643258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.643258 (E_RNA)
where:
Base-Base interactions energy: -38.532
where: short stacking energy: -30.943
Base-Backbone interact. energy: -0.741
local terms energy: -51.369853
where:
bonds (distance) C4'-P energy: -13.489
bonds (distance) P-C4' energy: -12.073
flat angles C4'-P-C4' energy: -11.901
flat angles P-C4'-P energy: -13.384
tors. eta vs tors. theta energy: -0.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 347
Temperature: 1.300000
Total energy: -143.492022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.492022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.492022 (E_RNA)
where:
Base-Base interactions energy: -88.210
where: short stacking energy: -45.394
Base-Backbone interact. energy: -0.538
local terms energy: -54.743686
where:
bonds (distance) C4'-P energy: -15.065
bonds (distance) P-C4' energy: -16.861
flat angles C4'-P-C4' energy: -14.625
flat angles P-C4'-P energy: -1.011
tors. eta vs tors. theta energy: -7.181
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 347
Temperature: 1.350000
Total energy: -84.671374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.671374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.671374 (E_RNA)
where:
Base-Base interactions energy: -27.541
where: short stacking energy: -21.140
Base-Backbone interact. energy: -0.784
local terms energy: -56.346217
where:
bonds (distance) C4'-P energy: -11.287
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -15.575
flat angles P-C4'-P energy: -13.164
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: 7
=====================================
Write number: 348
Temperature: 0.900000
Total energy: -292.889327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.889327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.889327 (E_RNA)
where:
Base-Base interactions energy: -192.588
where: short stacking energy: -81.407
Base-Backbone interact. energy: -1.240
local terms energy: -99.061644
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -20.004
flat angles C4'-P-C4' energy: -21.501
flat angles P-C4'-P energy: -16.283
tors. eta vs tors. theta energy: -25.275
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: 2, replica: 5
=====================================
Write number: 348
Temperature: 0.950000
Total energy: -276.602207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.602207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.602207 (E_RNA)
where:
Base-Base interactions energy: -193.991
where: short stacking energy: -70.421
Base-Backbone interact. energy: 0.568
local terms energy: -83.178936
where:
bonds (distance) C4'-P energy: -18.984
bonds (distance) P-C4' energy: -19.109
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -12.619
tors. eta vs tors. theta energy: -19.012
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: 10
=====================================
Write number: 348
Temperature: 1.000000
Total energy: -277.521912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.521912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.521912 (E_RNA)
where:
Base-Base interactions energy: -196.216
where: short stacking energy: -73.374
Base-Backbone interact. energy: -0.418
local terms energy: -80.887900
where:
bonds (distance) C4'-P energy: -13.279
bonds (distance) P-C4' energy: -18.048
flat angles C4'-P-C4' energy: -15.990
flat angles P-C4'-P energy: -12.502
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: 4, replica: 3
=====================================
Write number: 348
Temperature: 1.050000
Total energy: -262.189770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.189770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.189770 (E_RNA)
where:
Base-Base interactions energy: -181.346
where: short stacking energy: -77.938
Base-Backbone interact. energy: -0.092
local terms energy: -80.751933
where:
bonds (distance) C4'-P energy: -18.788
bonds (distance) P-C4' energy: -11.813
flat angles C4'-P-C4' energy: -17.834
flat angles P-C4'-P energy: -10.483
tors. eta vs tors. theta energy: -21.834
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: 6
=====================================
Write number: 348
Temperature: 1.100000
Total energy: -266.810274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.810274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.810274 (E_RNA)
where:
Base-Base interactions energy: -181.189
where: short stacking energy: -74.106
Base-Backbone interact. energy: -0.071
local terms energy: -85.550152
where:
bonds (distance) C4'-P energy: -15.672
bonds (distance) P-C4' energy: -19.625
flat angles C4'-P-C4' energy: -15.426
flat angles P-C4'-P energy: -11.584
tors. eta vs tors. theta energy: -23.243
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 348
Temperature: 1.150000
Total energy: -271.813567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.813567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.813567 (E_RNA)
where:
Base-Base interactions energy: -184.729
where: short stacking energy: -75.838
Base-Backbone interact. energy: -2.468
local terms energy: -84.617004
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -19.156
flat angles C4'-P-C4' energy: -18.809
flat angles P-C4'-P energy: -12.140
tors. eta vs tors. theta energy: -20.712
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 348
Temperature: 1.200000
Total energy: -228.559847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -228.559847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -228.559847 (E_RNA)
where:
Base-Base interactions energy: -146.161
where: short stacking energy: -66.238
Base-Backbone interact. energy: -0.023
local terms energy: -82.375241
where:
bonds (distance) C4'-P energy: -16.279
bonds (distance) P-C4' energy: -15.145
flat angles C4'-P-C4' energy: -19.672
flat angles P-C4'-P energy: -7.778
tors. eta vs tors. theta energy: -23.501
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 348
Temperature: 1.250000
Total energy: -105.669959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.669959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.669959 (E_RNA)
where:
Base-Base interactions energy: -44.353
where: short stacking energy: -44.353
Base-Backbone interact. energy: -0.216
local terms energy: -61.101299
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -18.146
flat angles C4'-P-C4' energy: -14.019
flat angles P-C4'-P energy: -10.226
tors. eta vs tors. theta energy: -4.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 348
Temperature: 1.300000
Total energy: -159.554473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.554473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.554473 (E_RNA)
where:
Base-Base interactions energy: -95.013
where: short stacking energy: -45.460
Base-Backbone interact. energy: -0.341
local terms energy: -64.200611
where:
bonds (distance) C4'-P energy: -11.243
bonds (distance) P-C4' energy: -16.276
flat angles C4'-P-C4' energy: -20.140
flat angles P-C4'-P energy: -8.001
tors. eta vs tors. theta energy: -8.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 348
Temperature: 1.350000
Total energy: -79.396633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.396633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.396633 (E_RNA)
where:
Base-Base interactions energy: -27.101
where: short stacking energy: -21.086
Base-Backbone interact. energy: -0.621
local terms energy: -51.674387
where:
bonds (distance) C4'-P energy: -15.382
bonds (distance) P-C4' energy: -17.068
flat angles C4'-P-C4' energy: -12.882
flat angles P-C4'-P energy: -8.436
tors. eta vs tors. theta energy: 2.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 349
Temperature: 0.900000
Total energy: -289.807321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.807321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.807321 (E_RNA)
where:
Base-Base interactions energy: -200.112
where: short stacking energy: -75.661
Base-Backbone interact. energy: -0.125
local terms energy: -89.570245
where:
bonds (distance) C4'-P energy: -18.628
bonds (distance) P-C4' energy: -19.896
flat angles C4'-P-C4' energy: -16.666
flat angles P-C4'-P energy: -8.686
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: 10
=====================================
Write number: 349
Temperature: 0.950000
Total energy: -278.013203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.013203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.013203 (E_RNA)
where:
Base-Base interactions energy: -191.607
where: short stacking energy: -80.103
Base-Backbone interact. energy: -0.200
local terms energy: -86.205483
where:
bonds (distance) C4'-P energy: -17.673
bonds (distance) P-C4' energy: -16.319
flat angles C4'-P-C4' energy: -18.748
flat angles P-C4'-P energy: -10.354
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: 3, replica: 5
=====================================
Write number: 349
Temperature: 1.000000
Total energy: -275.932039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.932039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.932039 (E_RNA)
where:
Base-Base interactions energy: -184.337
where: short stacking energy: -70.335
Base-Backbone interact. energy: -0.475
local terms energy: -91.120091
where:
bonds (distance) C4'-P energy: -18.664
bonds (distance) P-C4' energy: -18.190
flat angles C4'-P-C4' energy: -18.993
flat angles P-C4'-P energy: -13.492
tors. eta vs tors. theta energy: -21.781
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 349
Temperature: 1.050000
Total energy: -274.662005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.662005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.662005 (E_RNA)
where:
Base-Base interactions energy: -197.525
where: short stacking energy: -81.865
Base-Backbone interact. energy: -2.211
local terms energy: -74.925898
where:
bonds (distance) C4'-P energy: -11.329
bonds (distance) P-C4' energy: -12.319
flat angles C4'-P-C4' energy: -13.681
flat angles P-C4'-P energy: -12.285
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: 5, replica: 3
=====================================
Write number: 349
Temperature: 1.100000
Total energy: -259.762753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.762753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.762753 (E_RNA)
where:
Base-Base interactions energy: -178.427
where: short stacking energy: -74.005
Base-Backbone interact. energy: -0.339
local terms energy: -80.996677
where:
bonds (distance) C4'-P energy: -14.169
bonds (distance) P-C4' energy: -16.560
flat angles C4'-P-C4' energy: -15.984
flat angles P-C4'-P energy: -13.375
tors. eta vs tors. theta energy: -20.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 349
Temperature: 1.150000
Total energy: -262.662023 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.662023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.662023 (E_RNA)
where:
Base-Base interactions energy: -181.036
where: short stacking energy: -70.517
Base-Backbone interact. energy: 0.715
local terms energy: -82.340654
where:
bonds (distance) C4'-P energy: -18.188
bonds (distance) P-C4' energy: -17.558
flat angles C4'-P-C4' energy: -16.230
flat angles P-C4'-P energy: -9.377
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: 7, replica: 2
=====================================
Write number: 349
Temperature: 1.200000
Total energy: -193.200839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.200839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.200839 (E_RNA)
where:
Base-Base interactions energy: -122.445
where: short stacking energy: -49.477
Base-Backbone interact. energy: -0.009
local terms energy: -70.746089
where:
bonds (distance) C4'-P energy: -11.372
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -19.354
flat angles P-C4'-P energy: -15.022
tors. eta vs tors. theta energy: -8.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 349
Temperature: 1.250000
Total energy: -166.764322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.764322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.764322 (E_RNA)
where:
Base-Base interactions energy: -106.638
where: short stacking energy: -44.079
Base-Backbone interact. energy: -0.368
local terms energy: -59.758070
where:
bonds (distance) C4'-P energy: -15.058
bonds (distance) P-C4' energy: -15.704
flat angles C4'-P-C4' energy: -10.754
flat angles P-C4'-P energy: -8.641
tors. eta vs tors. theta energy: -9.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 349
Temperature: 1.300000
Total energy: -100.970136 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.970136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.970136 (E_RNA)
where:
Base-Base interactions energy: -44.307
where: short stacking energy: -38.001
Base-Backbone interact. energy: -0.848
local terms energy: -55.814497
where:
bonds (distance) C4'-P energy: -14.466
bonds (distance) P-C4' energy: -18.353
flat angles C4'-P-C4' energy: -15.438
flat angles P-C4'-P energy: -7.450
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: 1
=====================================
Write number: 349
Temperature: 1.350000
Total energy: -90.898633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.898633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.898633 (E_RNA)
where:
Base-Base interactions energy: -28.598
where: short stacking energy: -25.273
Base-Backbone interact. energy: -0.090
local terms energy: -62.211118
where:
bonds (distance) C4'-P energy: -18.842
bonds (distance) P-C4' energy: -20.395
flat angles C4'-P-C4' energy: -6.489
flat angles P-C4'-P energy: -12.524
tors. eta vs tors. theta energy: -3.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 350
Temperature: 0.900000
Total energy: -288.636541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.636541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.636541 (E_RNA)
where:
Base-Base interactions energy: -194.487
where: short stacking energy: -83.721
Base-Backbone interact. energy: -0.007
local terms energy: -94.142711
where:
bonds (distance) C4'-P energy: -17.601
bonds (distance) P-C4' energy: -16.969
flat angles C4'-P-C4' energy: -19.289
flat angles P-C4'-P energy: -14.968
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: 10
=====================================
Write number: 350
Temperature: 0.950000
Total energy: -295.188539 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.188539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.188539 (E_RNA)
where:
Base-Base interactions energy: -211.748
where: short stacking energy: -78.300
Base-Backbone interact. energy: -0.047
local terms energy: -83.393810
where:
bonds (distance) C4'-P energy: -14.548
bonds (distance) P-C4' energy: -15.174
flat angles C4'-P-C4' energy: -18.564
flat angles P-C4'-P energy: -12.978
tors. eta vs tors. theta energy: -22.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 350
Temperature: 1.000000
Total energy: -269.599101 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.599101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.599101 (E_RNA)
where:
Base-Base interactions energy: -183.568
where: short stacking energy: -69.365
Base-Backbone interact. energy: -1.219
local terms energy: -84.812356
where:
bonds (distance) C4'-P energy: -17.142
bonds (distance) P-C4' energy: -19.478
flat angles C4'-P-C4' energy: -18.277
flat angles P-C4'-P energy: -8.036
tors. eta vs tors. theta energy: -21.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 350
Temperature: 1.050000
Total energy: -274.161609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.161609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.161609 (E_RNA)
where:
Base-Base interactions energy: -192.879
where: short stacking energy: -69.319
Base-Backbone interact. energy: -0.132
local terms energy: -81.151070
where:
bonds (distance) C4'-P energy: -16.061
bonds (distance) P-C4' energy: -13.604
flat angles C4'-P-C4' energy: -19.153
flat angles P-C4'-P energy: -9.243
tors. eta vs tors. theta energy: -23.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 350
Temperature: 1.100000
Total energy: -265.744422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.744422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.744422 (E_RNA)
where:
Base-Base interactions energy: -193.372
where: short stacking energy: -77.655
Base-Backbone interact. energy: -0.123
local terms energy: -72.249004
where:
bonds (distance) C4'-P energy: -13.132
bonds (distance) P-C4' energy: -14.577
flat angles C4'-P-C4' energy: -15.117
flat angles P-C4'-P energy: -8.135
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: 6, replica: 8
=====================================
Write number: 350
Temperature: 1.150000
Total energy: -260.082556 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.082556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.082556 (E_RNA)
where:
Base-Base interactions energy: -179.615
where: short stacking energy: -67.037
Base-Backbone interact. energy: -0.460
local terms energy: -80.007934
where:
bonds (distance) C4'-P energy: -14.908
bonds (distance) P-C4' energy: -17.621
flat angles C4'-P-C4' energy: -14.937
flat angles P-C4'-P energy: -14.894
tors. eta vs tors. theta energy: -17.647
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 350
Temperature: 1.200000
Total energy: -176.925199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.925199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.925199 (E_RNA)
where:
Base-Base interactions energy: -110.045
where: short stacking energy: -48.494
Base-Backbone interact. energy: -0.038
local terms energy: -66.842048
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -19.398
flat angles C4'-P-C4' energy: -17.627
flat angles P-C4'-P energy: -10.101
tors. eta vs tors. theta energy: -5.220
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 350
Temperature: 1.250000
Total energy: -197.042870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.042870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.042870 (E_RNA)
where:
Base-Base interactions energy: -121.270
where: short stacking energy: -55.017
Base-Backbone interact. energy: -0.299
local terms energy: -75.474348
where:
bonds (distance) C4'-P energy: -19.586
bonds (distance) P-C4' energy: -17.449
flat angles C4'-P-C4' energy: -16.275
flat angles P-C4'-P energy: -12.384
tors. eta vs tors. theta energy: -9.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 350
Temperature: 1.300000
Total energy: -90.382847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.382847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.382847 (E_RNA)
where:
Base-Base interactions energy: -36.619
where: short stacking energy: -31.757
Base-Backbone interact. energy: 0.170
local terms energy: -53.934532
where:
bonds (distance) C4'-P energy: -18.420
bonds (distance) P-C4' energy: -19.069
flat angles C4'-P-C4' energy: -7.925
flat angles P-C4'-P energy: -4.781
tors. eta vs tors. theta energy: -3.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 350
Temperature: 1.350000
Total energy: -85.752818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.752818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.752818 (E_RNA)
where:
Base-Base interactions energy: -20.586
where: short stacking energy: -15.308
Base-Backbone interact. energy: -0.599
local terms energy: -64.567912
where:
bonds (distance) C4'-P energy: -16.432
bonds (distance) P-C4' energy: -15.213
flat angles C4'-P-C4' energy: -14.937
flat angles P-C4'-P energy: -13.380
tors. eta vs tors. theta energy: -4.606
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: 7
=====================================
Write number: 351
Temperature: 0.900000
Total energy: -290.823647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.823647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.823647 (E_RNA)
where:
Base-Base interactions energy: -201.831
where: short stacking energy: -81.773
Base-Backbone interact. energy: -0.136
local terms energy: -88.857425
where:
bonds (distance) C4'-P energy: -14.685
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -19.658
flat angles P-C4'-P energy: -12.289
tors. eta vs tors. theta energy: -24.858
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: 6
=====================================
Write number: 351
Temperature: 0.950000
Total energy: -288.298536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.298536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.298536 (E_RNA)
where:
Base-Base interactions energy: -191.358
where: short stacking energy: -83.113
Base-Backbone interact. energy: -0.765
local terms energy: -96.175920
where:
bonds (distance) C4'-P energy: -18.831
bonds (distance) P-C4' energy: -17.955
flat angles C4'-P-C4' energy: -19.446
flat angles P-C4'-P energy: -13.127
tors. eta vs tors. theta energy: -26.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 351
Temperature: 1.000000
Total energy: -279.056131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.056131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.056131 (E_RNA)
where:
Base-Base interactions energy: -196.855
where: short stacking energy: -79.506
Base-Backbone interact. energy: -0.130
local terms energy: -82.070942
where:
bonds (distance) C4'-P energy: -14.522
bonds (distance) P-C4' energy: -14.727
flat angles C4'-P-C4' energy: -18.248
flat angles P-C4'-P energy: -13.339
tors. eta vs tors. theta energy: -21.234
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: 351
Temperature: 1.050000
Total energy: -267.065168 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.065168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.065168 (E_RNA)
where:
Base-Base interactions energy: -177.718
where: short stacking energy: -77.127
Base-Backbone interact. energy: -0.290
local terms energy: -89.057470
where:
bonds (distance) C4'-P energy: -8.942
bonds (distance) P-C4' energy: -19.597
flat angles C4'-P-C4' energy: -20.810
flat angles P-C4'-P energy: -15.244
tors. eta vs tors. theta energy: -24.464
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: 5, replica: 5
=====================================
Write number: 351
Temperature: 1.100000
Total energy: -274.618263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.618263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.618263 (E_RNA)
where:
Base-Base interactions energy: -185.793
where: short stacking energy: -74.370
Base-Backbone interact. energy: -0.001
local terms energy: -88.823953
where:
bonds (distance) C4'-P energy: -15.485
bonds (distance) P-C4' energy: -16.546
flat angles C4'-P-C4' energy: -19.993
flat angles P-C4'-P energy: -12.004
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: 6, replica: 8
=====================================
Write number: 351
Temperature: 1.150000
Total energy: -251.036326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.036326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.036326 (E_RNA)
where:
Base-Base interactions energy: -177.414
where: short stacking energy: -63.818
Base-Backbone interact. energy: -0.681
local terms energy: -72.941008
where:
bonds (distance) C4'-P energy: -12.221
bonds (distance) P-C4' energy: -18.914
flat angles C4'-P-C4' energy: -17.651
flat angles P-C4'-P energy: -5.830
tors. eta vs tors. theta energy: -18.324
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 351
Temperature: 1.200000
Total energy: -151.394006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.394006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.394006 (E_RNA)
where:
Base-Base interactions energy: -99.943
where: short stacking energy: -39.274
Base-Backbone interact. energy: -0.172
local terms energy: -51.279019
where:
bonds (distance) C4'-P energy: -13.430
bonds (distance) P-C4' energy: -14.014
flat angles C4'-P-C4' energy: -11.698
flat angles P-C4'-P energy: -3.647
tors. eta vs tors. theta energy: -8.490
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 351
Temperature: 1.250000
Total energy: -155.166147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.166147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.166147 (E_RNA)
where:
Base-Base interactions energy: -91.636
where: short stacking energy: -46.066
Base-Backbone interact. energy: -0.152
local terms energy: -63.377297
where:
bonds (distance) C4'-P energy: -18.027
bonds (distance) P-C4' energy: -15.259
flat angles C4'-P-C4' energy: -13.694
flat angles P-C4'-P energy: -11.814
tors. eta vs tors. theta energy: -4.583
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 351
Temperature: 1.300000
Total energy: -87.895667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.895667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.895667 (E_RNA)
where:
Base-Base interactions energy: -29.381
where: short stacking energy: -28.564
Base-Backbone interact. energy: 1.007
local terms energy: -59.521863
where:
bonds (distance) C4'-P energy: -15.103
bonds (distance) P-C4' energy: -20.818
flat angles C4'-P-C4' energy: -15.777
flat angles P-C4'-P energy: -8.654
tors. eta vs tors. theta energy: 0.830
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: 4
=====================================
Write number: 351
Temperature: 1.350000
Total energy: -89.090649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.090649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.090649 (E_RNA)
where:
Base-Base interactions energy: -29.621
where: short stacking energy: -29.284
Base-Backbone interact. energy: -0.118
local terms energy: -59.351659
where:
bonds (distance) C4'-P energy: -15.140
bonds (distance) P-C4' energy: -18.461
flat angles C4'-P-C4' energy: -9.500
flat angles P-C4'-P energy: -10.253
tors. eta vs tors. theta energy: -5.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 352
Temperature: 0.900000
Total energy: -292.891151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.891151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.891151 (E_RNA)
where:
Base-Base interactions energy: -203.907
where: short stacking energy: -87.176
Base-Backbone interact. energy: -0.035
local terms energy: -88.949116
where:
bonds (distance) C4'-P energy: -15.927
bonds (distance) P-C4' energy: -16.445
flat angles C4'-P-C4' energy: -16.406
flat angles P-C4'-P energy: -12.606
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: 2, replica: 6
=====================================
Write number: 352
Temperature: 0.950000
Total energy: -286.158793 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.158793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.158793 (E_RNA)
where:
Base-Base interactions energy: -188.618
where: short stacking energy: -78.603
Base-Backbone interact. energy: 0.156
local terms energy: -97.696714
where:
bonds (distance) C4'-P energy: -20.101
bonds (distance) P-C4' energy: -18.589
flat angles C4'-P-C4' energy: -16.230
flat angles P-C4'-P energy: -17.359
tors. eta vs tors. theta energy: -25.418
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 352
Temperature: 1.000000
Total energy: -279.916770 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.916770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.916770 (E_RNA)
where:
Base-Base interactions energy: -185.141
where: short stacking energy: -70.704
Base-Backbone interact. energy: -0.038
local terms energy: -94.737954
where:
bonds (distance) C4'-P energy: -18.130
bonds (distance) P-C4' energy: -19.098
flat angles C4'-P-C4' energy: -20.159
flat angles P-C4'-P energy: -14.088
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: 10
=====================================
Write number: 352
Temperature: 1.050000
Total energy: -275.191020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.191020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.191020 (E_RNA)
where:
Base-Base interactions energy: -194.240
where: short stacking energy: -67.631
Base-Backbone interact. energy: -0.121
local terms energy: -80.829752
where:
bonds (distance) C4'-P energy: -13.782
bonds (distance) P-C4' energy: -15.684
flat angles C4'-P-C4' energy: -19.607
flat angles P-C4'-P energy: -11.980
tors. eta vs tors. theta energy: -19.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 352
Temperature: 1.100000
Total energy: -277.423558 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.423558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.423558 (E_RNA)
where:
Base-Base interactions energy: -188.904
where: short stacking energy: -80.778
Base-Backbone interact. energy: -0.003
local terms energy: -88.516438
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -15.583
flat angles C4'-P-C4' energy: -18.882
flat angles P-C4'-P energy: -13.154
tors. eta vs tors. theta energy: -26.125
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 352
Temperature: 1.150000
Total energy: -261.668479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.668479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.668479 (E_RNA)
where:
Base-Base interactions energy: -177.853
where: short stacking energy: -68.870
Base-Backbone interact. energy: -0.012
local terms energy: -83.803573
where:
bonds (distance) C4'-P energy: -15.902
bonds (distance) P-C4' energy: -19.088
flat angles C4'-P-C4' energy: -17.340
flat angles P-C4'-P energy: -10.712
tors. eta vs tors. theta energy: -20.762
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 352
Temperature: 1.200000
Total energy: -197.607715 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.607715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.607715 (E_RNA)
where:
Base-Base interactions energy: -121.369
where: short stacking energy: -55.289
Base-Backbone interact. energy: -0.554
local terms energy: -75.685427
where:
bonds (distance) C4'-P energy: -17.435
bonds (distance) P-C4' energy: -17.338
flat angles C4'-P-C4' energy: -16.954
flat angles P-C4'-P energy: -11.358
tors. eta vs tors. theta energy: -12.601
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: 8, replica: 2
=====================================
Write number: 352
Temperature: 1.250000
Total energy: -147.891846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.891846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.891846 (E_RNA)
where:
Base-Base interactions energy: -86.126
where: short stacking energy: -45.459
Base-Backbone interact. energy: -0.241
local terms energy: -61.524401
where:
bonds (distance) C4'-P energy: -13.939
bonds (distance) P-C4' energy: -16.284
flat angles C4'-P-C4' energy: -16.619
flat angles P-C4'-P energy: -6.930
tors. eta vs tors. theta energy: -7.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 352
Temperature: 1.300000
Total energy: -107.696152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.696152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.696152 (E_RNA)
where:
Base-Base interactions energy: -48.327
where: short stacking energy: -35.440
Base-Backbone interact. energy: 0.684
local terms energy: -60.053562
where:
bonds (distance) C4'-P energy: -18.847
bonds (distance) P-C4' energy: -18.281
flat angles C4'-P-C4' energy: -11.341
flat angles P-C4'-P energy: -7.196
tors. eta vs tors. theta energy: -4.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 352
Temperature: 1.350000
Total energy: -81.962401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.962401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.962401 (E_RNA)
where:
Base-Base interactions energy: -28.382
where: short stacking energy: -28.482
Base-Backbone interact. energy: -0.320
local terms energy: -53.260616
where:
bonds (distance) C4'-P energy: -10.839
bonds (distance) P-C4' energy: -15.478
flat angles C4'-P-C4' energy: -14.528
flat angles P-C4'-P energy: -16.283
tors. eta vs tors. theta energy: 3.868
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 353
Temperature: 0.900000
Total energy: -287.278073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.278073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.278073 (E_RNA)
where:
Base-Base interactions energy: -191.966
where: short stacking energy: -84.038
Base-Backbone interact. energy: -0.009
local terms energy: -95.303129
where:
bonds (distance) C4'-P energy: -17.421
bonds (distance) P-C4' energy: -19.467
flat angles C4'-P-C4' energy: -14.911
flat angles P-C4'-P energy: -17.220
tors. eta vs tors. theta energy: -26.284
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 353
Temperature: 0.950000
Total energy: -283.487590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.487590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.487590 (E_RNA)
where:
Base-Base interactions energy: -201.130
where: short stacking energy: -90.244
Base-Backbone interact. energy: -0.044
local terms energy: -82.313422
where:
bonds (distance) C4'-P energy: -16.967
bonds (distance) P-C4' energy: -19.340
flat angles C4'-P-C4' energy: -14.905
flat angles P-C4'-P energy: -3.361
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: 3, replica: 3
=====================================
Write number: 353
Temperature: 1.000000
Total energy: -285.565497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.565497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.565497 (E_RNA)
where:
Base-Base interactions energy: -191.939
where: short stacking energy: -80.640
Base-Backbone interact. energy: -0.091
local terms energy: -93.535505
where:
bonds (distance) C4'-P energy: -18.466
bonds (distance) P-C4' energy: -18.464
flat angles C4'-P-C4' energy: -15.618
flat angles P-C4'-P energy: -15.159
tors. eta vs tors. theta energy: -25.829
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: 5
=====================================
Write number: 353
Temperature: 1.050000
Total energy: -278.726377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.726377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.726377 (E_RNA)
where:
Base-Base interactions energy: -195.144
where: short stacking energy: -84.020
Base-Backbone interact. energy: -0.002
local terms energy: -83.579855
where:
bonds (distance) C4'-P energy: -9.477
bonds (distance) P-C4' energy: -20.523
flat angles C4'-P-C4' energy: -17.703
flat angles P-C4'-P energy: -11.386
tors. eta vs tors. theta energy: -24.490
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: 10
=====================================
Write number: 353
Temperature: 1.100000
Total energy: -268.692652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.692652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.692652 (E_RNA)
where:
Base-Base interactions energy: -189.955
where: short stacking energy: -79.706
Base-Backbone interact. energy: -0.163
local terms energy: -78.574317
where:
bonds (distance) C4'-P energy: -16.279
bonds (distance) P-C4' energy: -16.682
flat angles C4'-P-C4' energy: -13.320
flat angles P-C4'-P energy: -8.376
tors. eta vs tors. theta energy: -23.916
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: 353
Temperature: 1.150000
Total energy: -268.341193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.341193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.341193 (E_RNA)
where:
Base-Base interactions energy: -175.917
where: short stacking energy: -77.581
Base-Backbone interact. energy: -0.479
local terms energy: -91.944862
where:
bonds (distance) C4'-P energy: -16.685
bonds (distance) P-C4' energy: -18.004
flat angles C4'-P-C4' energy: -19.618
flat angles P-C4'-P energy: -13.276
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: 7, replica: 9
=====================================
Write number: 353
Temperature: 1.200000
Total energy: -168.054178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.054178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.054178 (E_RNA)
where:
Base-Base interactions energy: -98.577
where: short stacking energy: -35.420
Base-Backbone interact. energy: -1.001
local terms energy: -68.476433
where:
bonds (distance) C4'-P energy: -12.466
bonds (distance) P-C4' energy: -17.968
flat angles C4'-P-C4' energy: -17.766
flat angles P-C4'-P energy: -9.385
tors. eta vs tors. theta energy: -10.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 353
Temperature: 1.250000
Total energy: -147.610061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.610061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.610061 (E_RNA)
where:
Base-Base interactions energy: -86.104
where: short stacking energy: -29.242
Base-Backbone interact. energy: -0.229
local terms energy: -61.276529
where:
bonds (distance) C4'-P energy: -16.379
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -18.102
flat angles P-C4'-P energy: -6.355
tors. eta vs tors. theta energy: -6.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 353
Temperature: 1.300000
Total energy: -94.277843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.277843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.277843 (E_RNA)
where:
Base-Base interactions energy: -37.471
where: short stacking energy: -26.561
Base-Backbone interact. energy: -0.365
local terms energy: -56.441907
where:
bonds (distance) C4'-P energy: -13.599
bonds (distance) P-C4' energy: -18.383
flat angles C4'-P-C4' energy: -13.845
flat angles P-C4'-P energy: -6.592
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: 10, replica: 1
=====================================
Write number: 353
Temperature: 1.350000
Total energy: -83.435620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.435620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.435620 (E_RNA)
where:
Base-Base interactions energy: -36.841
where: short stacking energy: -36.841
Base-Backbone interact. energy: -0.101
local terms energy: -46.493604
where:
bonds (distance) C4'-P energy: -14.436
bonds (distance) P-C4' energy: -18.020
flat angles C4'-P-C4' energy: -12.064
flat angles P-C4'-P energy: 2.001
tors. eta vs tors. theta energy: -3.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 354
Temperature: 0.900000
Total energy: -292.898388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.898388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.898388 (E_RNA)
where:
Base-Base interactions energy: -199.889
where: short stacking energy: -77.151
Base-Backbone interact. energy: -0.003
local terms energy: -93.007246
where:
bonds (distance) C4'-P energy: -16.538
bonds (distance) P-C4' energy: -15.618
flat angles C4'-P-C4' energy: -20.699
flat angles P-C4'-P energy: -14.486
tors. eta vs tors. theta energy: -25.667
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: 2, replica: 7
=====================================
Write number: 354
Temperature: 0.950000
Total energy: -290.688469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.688469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.688469 (E_RNA)
where:
Base-Base interactions energy: -195.028
where: short stacking energy: -75.024
Base-Backbone interact. energy: -1.430
local terms energy: -94.230236
where:
bonds (distance) C4'-P energy: -15.823
bonds (distance) P-C4' energy: -21.554
flat angles C4'-P-C4' energy: -17.553
flat angles P-C4'-P energy: -13.743
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: 3, replica: 3
=====================================
Write number: 354
Temperature: 1.000000
Total energy: -281.295783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.295783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.295783 (E_RNA)
where:
Base-Base interactions energy: -196.424
where: short stacking energy: -84.629
Base-Backbone interact. energy: -0.038
local terms energy: -84.834249
where:
bonds (distance) C4'-P energy: -17.004
bonds (distance) P-C4' energy: -16.438
flat angles C4'-P-C4' energy: -17.660
flat angles P-C4'-P energy: -10.744
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: 4, replica: 5
=====================================
Write number: 354
Temperature: 1.050000
Total energy: -271.011026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.011026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.011026 (E_RNA)
where:
Base-Base interactions energy: -176.860
where: short stacking energy: -79.437
Base-Backbone interact. energy: -0.298
local terms energy: -93.853063
where:
bonds (distance) C4'-P energy: -17.667
bonds (distance) P-C4' energy: -19.949
flat angles C4'-P-C4' energy: -17.136
flat angles P-C4'-P energy: -15.907
tors. eta vs tors. theta energy: -23.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 354
Temperature: 1.100000
Total energy: -273.274237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.274237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.274237 (E_RNA)
where:
Base-Base interactions energy: -190.764
where: short stacking energy: -73.033
Base-Backbone interact. energy: 0.819
local terms energy: -83.329696
where:
bonds (distance) C4'-P energy: -12.811
bonds (distance) P-C4' energy: -17.086
flat angles C4'-P-C4' energy: -20.434
flat angles P-C4'-P energy: -12.763
tors. eta vs tors. theta energy: -20.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 354
Temperature: 1.150000
Total energy: -258.015774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.015774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.015774 (E_RNA)
where:
Base-Base interactions energy: -172.712
where: short stacking energy: -73.654
Base-Backbone interact. energy: -0.035
local terms energy: -85.268885
where:
bonds (distance) C4'-P energy: -16.768
bonds (distance) P-C4' energy: -14.400
flat angles C4'-P-C4' energy: -15.955
flat angles P-C4'-P energy: -14.026
tors. eta vs tors. theta energy: -24.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 354
Temperature: 1.200000
Total energy: -148.824541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.824541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.824541 (E_RNA)
where:
Base-Base interactions energy: -97.000
where: short stacking energy: -28.819
Base-Backbone interact. energy: -0.718
local terms energy: -51.106170
where:
bonds (distance) C4'-P energy: -14.772
bonds (distance) P-C4' energy: -15.080
flat angles C4'-P-C4' energy: -13.330
flat angles P-C4'-P energy: -6.854
tors. eta vs tors. theta energy: -1.071
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 354
Temperature: 1.250000
Total energy: -169.342680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.342680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.342680 (E_RNA)
where:
Base-Base interactions energy: -109.679
where: short stacking energy: -47.897
Base-Backbone interact. energy: -0.128
local terms energy: -59.535854
where:
bonds (distance) C4'-P energy: -13.341
bonds (distance) P-C4' energy: -13.068
flat angles C4'-P-C4' energy: -15.380
flat angles P-C4'-P energy: -10.122
tors. eta vs tors. theta energy: -7.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 354
Temperature: 1.300000
Total energy: -98.230428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.230428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.230428 (E_RNA)
where:
Base-Base interactions energy: -39.281
where: short stacking energy: -25.111
Base-Backbone interact. energy: 0.039
local terms energy: -58.988740
where:
bonds (distance) C4'-P energy: -16.846
bonds (distance) P-C4' energy: -16.342
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -8.992
tors. eta vs tors. theta energy: -1.848
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 354
Temperature: 1.350000
Total energy: -104.927746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.927746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.927746 (E_RNA)
where:
Base-Base interactions energy: -50.142
where: short stacking energy: -34.482
Base-Backbone interact. energy: -0.355
local terms energy: -54.430638
where:
bonds (distance) C4'-P energy: -12.495
bonds (distance) P-C4' energy: -16.196
flat angles C4'-P-C4' energy: -9.998
flat angles P-C4'-P energy: -10.340
tors. eta vs tors. theta energy: -5.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 355
Temperature: 0.900000
Total energy: -289.103121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.103121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.103121 (E_RNA)
where:
Base-Base interactions energy: -197.161
where: short stacking energy: -81.189
Base-Backbone interact. energy: 0.741
local terms energy: -92.683069
where:
bonds (distance) C4'-P energy: -15.178
bonds (distance) P-C4' energy: -19.520
flat angles C4'-P-C4' energy: -19.362
flat angles P-C4'-P energy: -11.860
tors. eta vs tors. theta energy: -26.763
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 355
Temperature: 0.950000
Total energy: -279.642024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.642024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.642024 (E_RNA)
where:
Base-Base interactions energy: -192.127
where: short stacking energy: -86.018
Base-Backbone interact. energy: 0.020
local terms energy: -87.535666
where:
bonds (distance) C4'-P energy: -16.719
bonds (distance) P-C4' energy: -18.714
flat angles C4'-P-C4' energy: -17.380
flat angles P-C4'-P energy: -11.423
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: 3, replica: 3
=====================================
Write number: 355
Temperature: 1.000000
Total energy: -273.953011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.953011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.953011 (E_RNA)
where:
Base-Base interactions energy: -193.099
where: short stacking energy: -75.354
Base-Backbone interact. energy: 0.648
local terms energy: -81.501927
where:
bonds (distance) C4'-P energy: -19.538
bonds (distance) P-C4' energy: -12.775
flat angles C4'-P-C4' energy: -15.332
flat angles P-C4'-P energy: -13.698
tors. eta vs tors. theta energy: -20.159
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 355
Temperature: 1.050000
Total energy: -274.320413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.320413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.320413 (E_RNA)
where:
Base-Base interactions energy: -189.803
where: short stacking energy: -79.549
Base-Backbone interact. energy: -0.415
local terms energy: -84.102735
where:
bonds (distance) C4'-P energy: -13.259
bonds (distance) P-C4' energy: -18.529
flat angles C4'-P-C4' energy: -20.259
flat angles P-C4'-P energy: -8.497
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: 5, replica: 10
=====================================
Write number: 355
Temperature: 1.100000
Total energy: -266.847379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.847379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.847379 (E_RNA)
where:
Base-Base interactions energy: -177.423
where: short stacking energy: -64.130
Base-Backbone interact. energy: -0.000
local terms energy: -89.424050
where:
bonds (distance) C4'-P energy: -19.641
bonds (distance) P-C4' energy: -15.280
flat angles C4'-P-C4' energy: -17.154
flat angles P-C4'-P energy: -12.686
tors. eta vs tors. theta energy: -24.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 355
Temperature: 1.150000
Total energy: -250.491517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.491517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.491517 (E_RNA)
where:
Base-Base interactions energy: -169.230
where: short stacking energy: -65.524
Base-Backbone interact. energy: -0.047
local terms energy: -81.214878
where:
bonds (distance) C4'-P energy: -15.302
bonds (distance) P-C4' energy: -14.202
flat angles C4'-P-C4' energy: -20.514
flat angles P-C4'-P energy: -13.335
tors. eta vs tors. theta energy: -17.861
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 355
Temperature: 1.200000
Total energy: -181.896675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.896675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.896675 (E_RNA)
where:
Base-Base interactions energy: -118.365
where: short stacking energy: -49.252
Base-Backbone interact. energy: 0.209
local terms energy: -63.740958
where:
bonds (distance) C4'-P energy: -11.486
bonds (distance) P-C4' energy: -16.000
flat angles C4'-P-C4' energy: -16.792
flat angles P-C4'-P energy: -10.415
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: 8, replica: 9
=====================================
Write number: 355
Temperature: 1.250000
Total energy: -173.958904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.958904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.958904 (E_RNA)
where:
Base-Base interactions energy: -107.997
where: short stacking energy: -51.528
Base-Backbone interact. energy: -0.396
local terms energy: -65.565422
where:
bonds (distance) C4'-P energy: -19.649
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -15.189
flat angles P-C4'-P energy: -8.630
tors. eta vs tors. theta energy: -4.800
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 355
Temperature: 1.300000
Total energy: -92.585788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.585788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.585788 (E_RNA)
where:
Base-Base interactions energy: -37.908
where: short stacking energy: -25.664
Base-Backbone interact. energy: -0.642
local terms energy: -54.035422
where:
bonds (distance) C4'-P energy: -13.935
bonds (distance) P-C4' energy: -14.706
flat angles C4'-P-C4' energy: -14.961
flat angles P-C4'-P energy: -8.319
tors. eta vs tors. theta energy: -2.114
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: 4
=====================================
Write number: 355
Temperature: 1.350000
Total energy: -89.828695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.828695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.828695 (E_RNA)
where:
Base-Base interactions energy: -35.461
where: short stacking energy: -34.982
Base-Backbone interact. energy: 0.080
local terms energy: -54.447411
where:
bonds (distance) C4'-P energy: -14.084
bonds (distance) P-C4' energy: -16.994
flat angles C4'-P-C4' energy: -11.667
flat angles P-C4'-P energy: -8.692
tors. eta vs tors. theta energy: -3.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 356
Temperature: 0.900000
Total energy: -277.549989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.549989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.549989 (E_RNA)
where:
Base-Base interactions energy: -190.387
where: short stacking energy: -80.266
Base-Backbone interact. energy: -0.007
local terms energy: -87.155742
where:
bonds (distance) C4'-P energy: -14.516
bonds (distance) P-C4' energy: -16.772
flat angles C4'-P-C4' energy: -15.392
flat angles P-C4'-P energy: -14.659
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: 2, replica: 6
=====================================
Write number: 356
Temperature: 0.950000
Total energy: -281.692882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.692882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.692882 (E_RNA)
where:
Base-Base interactions energy: -192.797
where: short stacking energy: -78.201
Base-Backbone interact. energy: -2.237
local terms energy: -86.658107
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -20.132
flat angles C4'-P-C4' energy: -18.517
flat angles P-C4'-P energy: -13.213
tors. eta vs tors. theta energy: -20.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 356
Temperature: 1.000000
Total energy: -278.926723 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.926723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.926723 (E_RNA)
where:
Base-Base interactions energy: -185.037
where: short stacking energy: -76.407
Base-Backbone interact. energy: -0.121
local terms energy: -93.768825
where:
bonds (distance) C4'-P energy: -15.041
bonds (distance) P-C4' energy: -21.237
flat angles C4'-P-C4' energy: -19.555
flat angles P-C4'-P energy: -13.971
tors. eta vs tors. theta energy: -23.965
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 356
Temperature: 1.050000
Total energy: -265.374192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.374192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.374192 (E_RNA)
where:
Base-Base interactions energy: -189.729
where: short stacking energy: -81.744
Base-Backbone interact. energy: -0.585
local terms energy: -75.060128
where:
bonds (distance) C4'-P energy: -9.903
bonds (distance) P-C4' energy: -17.096
flat angles C4'-P-C4' energy: -17.320
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -19.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 356
Temperature: 1.100000
Total energy: -268.803028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.803028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.803028 (E_RNA)
where:
Base-Base interactions energy: -188.129
where: short stacking energy: -73.231
Base-Backbone interact. energy: -0.653
local terms energy: -80.020386
where:
bonds (distance) C4'-P energy: -11.419
bonds (distance) P-C4' energy: -19.495
flat angles C4'-P-C4' energy: -12.798
flat angles P-C4'-P energy: -11.188
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: 6, replica: 8
=====================================
Write number: 356
Temperature: 1.150000
Total energy: -230.858892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.858892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.858892 (E_RNA)
where:
Base-Base interactions energy: -154.098
where: short stacking energy: -75.511
Base-Backbone interact. energy: -0.041
local terms energy: -76.719919
where:
bonds (distance) C4'-P energy: -16.175
bonds (distance) P-C4' energy: -18.859
flat angles C4'-P-C4' energy: -14.604
flat angles P-C4'-P energy: -9.189
tors. eta vs tors. theta energy: -17.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 356
Temperature: 1.200000
Total energy: -181.226598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.226598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.226598 (E_RNA)
where:
Base-Base interactions energy: -123.454
where: short stacking energy: -40.970
Base-Backbone interact. energy: -0.425
local terms energy: -57.347733
where:
bonds (distance) C4'-P energy: -12.259
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -10.065
flat angles P-C4'-P energy: -10.863
tors. eta vs tors. theta energy: -5.757
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 356
Temperature: 1.250000
Total energy: -167.161632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.161632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.161632 (E_RNA)
where:
Base-Base interactions energy: -100.134
where: short stacking energy: -47.454
Base-Backbone interact. energy: -0.158
local terms energy: -66.870410
where:
bonds (distance) C4'-P energy: -15.327
bonds (distance) P-C4' energy: -17.735
flat angles C4'-P-C4' energy: -12.105
flat angles P-C4'-P energy: -9.871
tors. eta vs tors. theta energy: -11.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 356
Temperature: 1.300000
Total energy: -93.706820 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.706820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.706820 (E_RNA)
where:
Base-Base interactions energy: -38.536
where: short stacking energy: -36.583
Base-Backbone interact. energy: -0.558
local terms energy: -54.613332
where:
bonds (distance) C4'-P energy: -16.754
bonds (distance) P-C4' energy: -19.932
flat angles C4'-P-C4' energy: -10.781
flat angles P-C4'-P energy: -4.027
tors. eta vs tors. theta energy: -3.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 356
Temperature: 1.350000
Total energy: -78.495753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.495753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.495753 (E_RNA)
where:
Base-Base interactions energy: -23.321
where: short stacking energy: -23.321
Base-Backbone interact. energy: 0.783
local terms energy: -55.957867
where:
bonds (distance) C4'-P energy: -14.311
bonds (distance) P-C4' energy: -14.810
flat angles C4'-P-C4' energy: -16.637
flat angles P-C4'-P energy: -7.737
tors. eta vs tors. theta energy: -2.464
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 357
Temperature: 0.900000
Total energy: -289.109417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.109417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.109417 (E_RNA)
where:
Base-Base interactions energy: -200.176
where: short stacking energy: -87.534
Base-Backbone interact. energy: -0.469
local terms energy: -88.464030
where:
bonds (distance) C4'-P energy: -17.344
bonds (distance) P-C4' energy: -21.253
flat angles C4'-P-C4' energy: -15.383
flat angles P-C4'-P energy: -7.862
tors. eta vs tors. theta energy: -26.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 357
Temperature: 0.950000
Total energy: -282.095449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.095449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.095449 (E_RNA)
where:
Base-Base interactions energy: -192.579
where: short stacking energy: -74.350
Base-Backbone interact. energy: 2.007
local terms energy: -91.523662
where:
bonds (distance) C4'-P energy: -14.904
bonds (distance) P-C4' energy: -19.375
flat angles C4'-P-C4' energy: -18.486
flat angles P-C4'-P energy: -16.644
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: 3, replica: 6
=====================================
Write number: 357
Temperature: 1.000000
Total energy: -280.576075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.576075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.576075 (E_RNA)
where:
Base-Base interactions energy: -191.969
where: short stacking energy: -81.840
Base-Backbone interact. energy: -0.468
local terms energy: -88.139077
where:
bonds (distance) C4'-P energy: -19.065
bonds (distance) P-C4' energy: -14.549
flat angles C4'-P-C4' energy: -16.182
flat angles P-C4'-P energy: -13.623
tors. eta vs tors. theta energy: -24.720
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: 4, replica: 10
=====================================
Write number: 357
Temperature: 1.050000
Total energy: -269.731102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.731102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.731102 (E_RNA)
where:
Base-Base interactions energy: -185.540
where: short stacking energy: -66.761
Base-Backbone interact. energy: -0.043
local terms energy: -84.148300
where:
bonds (distance) C4'-P energy: -16.390
bonds (distance) P-C4' energy: -17.884
flat angles C4'-P-C4' energy: -15.014
flat angles P-C4'-P energy: -16.210
tors. eta vs tors. theta energy: -18.649
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 357
Temperature: 1.100000
Total energy: -261.406006 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.406006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.406006 (E_RNA)
where:
Base-Base interactions energy: -179.733
where: short stacking energy: -72.743
Base-Backbone interact. energy: -0.774
local terms energy: -80.898792
where:
bonds (distance) C4'-P energy: -16.039
bonds (distance) P-C4' energy: -10.966
flat angles C4'-P-C4' energy: -19.067
flat angles P-C4'-P energy: -13.911
tors. eta vs tors. theta energy: -20.915
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 357
Temperature: 1.150000
Total energy: -216.544321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.544321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.544321 (E_RNA)
where:
Base-Base interactions energy: -141.768
where: short stacking energy: -54.925
Base-Backbone interact. energy: -0.066
local terms energy: -74.711142
where:
bonds (distance) C4'-P energy: -17.090
bonds (distance) P-C4' energy: -19.383
flat angles C4'-P-C4' energy: -13.749
flat angles P-C4'-P energy: -13.171
tors. eta vs tors. theta energy: -11.318
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 357
Temperature: 1.200000
Total energy: -177.380307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.380307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.380307 (E_RNA)
where:
Base-Base interactions energy: -124.971
where: short stacking energy: -52.564
Base-Backbone interact. energy: -0.186
local terms energy: -52.223608
where:
bonds (distance) C4'-P energy: -6.893
bonds (distance) P-C4' energy: -16.086
flat angles C4'-P-C4' energy: -15.034
flat angles P-C4'-P energy: -6.121
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: 8, replica: 9
=====================================
Write number: 357
Temperature: 1.250000
Total energy: -179.582631 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.582631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.582631 (E_RNA)
where:
Base-Base interactions energy: -111.588
where: short stacking energy: -46.271
Base-Backbone interact. energy: -0.757
local terms energy: -67.237116
where:
bonds (distance) C4'-P energy: -13.097
bonds (distance) P-C4' energy: -18.339
flat angles C4'-P-C4' energy: -16.142
flat angles P-C4'-P energy: -9.691
tors. eta vs tors. theta energy: -9.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 357
Temperature: 1.300000
Total energy: -87.911564 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.911564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.911564 (E_RNA)
where:
Base-Base interactions energy: -32.008
where: short stacking energy: -22.920
Base-Backbone interact. energy: -0.131
local terms energy: -55.771955
where:
bonds (distance) C4'-P energy: -17.616
bonds (distance) P-C4' energy: -18.116
flat angles C4'-P-C4' energy: -10.339
flat angles P-C4'-P energy: -3.072
tors. eta vs tors. theta energy: -6.629
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: 1
=====================================
Write number: 357
Temperature: 1.350000
Total energy: -101.040485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.040485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.040485 (E_RNA)
where:
Base-Base interactions energy: -51.776
where: short stacking energy: -35.153
Base-Backbone interact. energy: -0.014
local terms energy: -49.249567
where:
bonds (distance) C4'-P energy: -13.808
bonds (distance) P-C4' energy: -10.670
flat angles C4'-P-C4' energy: -13.123
flat angles P-C4'-P energy: -7.409
tors. eta vs tors. theta energy: -4.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 358
Temperature: 0.900000
Total energy: -292.941205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.941205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.941205 (E_RNA)
where:
Base-Base interactions energy: -204.022
where: short stacking energy: -79.099
Base-Backbone interact. energy: -0.107
local terms energy: -88.811754
where:
bonds (distance) C4'-P energy: -18.230
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -17.415
flat angles P-C4'-P energy: -14.296
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: 2, replica: 7
=====================================
Write number: 358
Temperature: 0.950000
Total energy: -288.244432 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.244432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.244432 (E_RNA)
where:
Base-Base interactions energy: -201.485
where: short stacking energy: -89.800
Base-Backbone interact. energy: -0.019
local terms energy: -86.741056
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -17.262
flat angles C4'-P-C4' energy: -18.449
flat angles P-C4'-P energy: -9.709
tors. eta vs tors. theta energy: -24.469
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: 10
=====================================
Write number: 358
Temperature: 1.000000
Total energy: -274.376326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.376326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.376326 (E_RNA)
where:
Base-Base interactions energy: -187.106
where: short stacking energy: -76.259
Base-Backbone interact. energy: -0.074
local terms energy: -87.195925
where:
bonds (distance) C4'-P energy: -18.495
bonds (distance) P-C4' energy: -16.757
flat angles C4'-P-C4' energy: -18.939
flat angles P-C4'-P energy: -10.621
tors. eta vs tors. theta energy: -22.384
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: 6
=====================================
Write number: 358
Temperature: 1.050000
Total energy: -272.069081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.069081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.069081 (E_RNA)
where:
Base-Base interactions energy: -192.120
where: short stacking energy: -69.985
Base-Backbone interact. energy: -0.099
local terms energy: -79.849995
where:
bonds (distance) C4'-P energy: -17.856
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -15.996
flat angles P-C4'-P energy: -11.449
tors. eta vs tors. theta energy: -19.340
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: 3
=====================================
Write number: 358
Temperature: 1.100000
Total energy: -264.288761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.288761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.288761 (E_RNA)
where:
Base-Base interactions energy: -179.639
where: short stacking energy: -73.684
Base-Backbone interact. energy: 0.474
local terms energy: -85.123393
where:
bonds (distance) C4'-P energy: -14.408
bonds (distance) P-C4' energy: -16.815
flat angles C4'-P-C4' energy: -17.526
flat angles P-C4'-P energy: -12.610
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: 6, replica: 8
=====================================
Write number: 358
Temperature: 1.150000
Total energy: -185.553949 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.553949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.553949 (E_RNA)
where:
Base-Base interactions energy: -123.592
where: short stacking energy: -56.809
Base-Backbone interact. energy: 0.668
local terms energy: -62.630404
where:
bonds (distance) C4'-P energy: -16.651
bonds (distance) P-C4' energy: -18.493
flat angles C4'-P-C4' energy: -11.712
flat angles P-C4'-P energy: -10.627
tors. eta vs tors. theta energy: -5.147
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 358
Temperature: 1.200000
Total energy: -182.163881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.163881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.163881 (E_RNA)
where:
Base-Base interactions energy: -105.686
where: short stacking energy: -52.628
Base-Backbone interact. energy: -0.110
local terms energy: -76.367755
where:
bonds (distance) C4'-P energy: -15.438
bonds (distance) P-C4' energy: -20.281
flat angles C4'-P-C4' energy: -16.697
flat angles P-C4'-P energy: -11.420
tors. eta vs tors. theta energy: -12.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 358
Temperature: 1.250000
Total energy: -148.644792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.644792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.644792 (E_RNA)
where:
Base-Base interactions energy: -78.564
where: short stacking energy: -41.292
Base-Backbone interact. energy: -0.082
local terms energy: -69.998422
where:
bonds (distance) C4'-P energy: -13.598
bonds (distance) P-C4' energy: -18.657
flat angles C4'-P-C4' energy: -16.162
flat angles P-C4'-P energy: -14.993
tors. eta vs tors. theta energy: -6.589
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: 1
=====================================
Write number: 358
Temperature: 1.300000
Total energy: -112.026205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.026205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.026205 (E_RNA)
where:
Base-Base interactions energy: -57.438
where: short stacking energy: -29.362
Base-Backbone interact. energy: -0.153
local terms energy: -54.435172
where:
bonds (distance) C4'-P energy: -11.810
bonds (distance) P-C4' energy: -15.065
flat angles C4'-P-C4' energy: -16.500
flat angles P-C4'-P energy: -9.036
tors. eta vs tors. theta energy: -2.024
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 358
Temperature: 1.350000
Total energy: -80.967509 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.967509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.967509 (E_RNA)
where:
Base-Base interactions energy: -32.395
where: short stacking energy: -18.737
Base-Backbone interact. energy: -0.574
local terms energy: -47.998319
where:
bonds (distance) C4'-P energy: -14.951
bonds (distance) P-C4' energy: -9.940
flat angles C4'-P-C4' energy: -17.786
flat angles P-C4'-P energy: -12.121
tors. eta vs tors. theta energy: 6.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 359
Temperature: 0.900000
Total energy: -289.546446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.546446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.546446 (E_RNA)
where:
Base-Base interactions energy: -201.388
where: short stacking energy: -84.406
Base-Backbone interact. energy: -0.003
local terms energy: -88.154737
where:
bonds (distance) C4'-P energy: -17.755
bonds (distance) P-C4' energy: -15.961
flat angles C4'-P-C4' energy: -20.536
flat angles P-C4'-P energy: -8.733
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: 2, replica: 7
=====================================
Write number: 359
Temperature: 0.950000
Total energy: -278.163110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.163110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.163110 (E_RNA)
where:
Base-Base interactions energy: -189.291
where: short stacking energy: -77.098
Base-Backbone interact. energy: -0.512
local terms energy: -88.360148
where:
bonds (distance) C4'-P energy: -18.830
bonds (distance) P-C4' energy: -16.325
flat angles C4'-P-C4' energy: -20.302
flat angles P-C4'-P energy: -13.022
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: 3, replica: 10
=====================================
Write number: 359
Temperature: 1.000000
Total energy: -273.891431 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.891431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.891431 (E_RNA)
where:
Base-Base interactions energy: -182.634
where: short stacking energy: -81.280
Base-Backbone interact. energy: -0.184
local terms energy: -91.073473
where:
bonds (distance) C4'-P energy: -17.189
bonds (distance) P-C4' energy: -19.924
flat angles C4'-P-C4' energy: -15.773
flat angles P-C4'-P energy: -14.633
tors. eta vs tors. theta energy: -23.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 359
Temperature: 1.050000
Total energy: -272.750073 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.750073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.750073 (E_RNA)
where:
Base-Base interactions energy: -180.427
where: short stacking energy: -80.850
Base-Backbone interact. energy: 0.308
local terms energy: -92.630921
where:
bonds (distance) C4'-P energy: -14.441
bonds (distance) P-C4' energy: -16.545
flat angles C4'-P-C4' energy: -19.005
flat angles P-C4'-P energy: -16.018
tors. eta vs tors. theta energy: -26.623
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 359
Temperature: 1.100000
Total energy: -268.718573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.718573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.718573 (E_RNA)
where:
Base-Base interactions energy: -191.253
where: short stacking energy: -75.174
Base-Backbone interact. energy: -0.858
local terms energy: -76.607021
where:
bonds (distance) C4'-P energy: -12.557
bonds (distance) P-C4' energy: -12.928
flat angles C4'-P-C4' energy: -19.735
flat angles P-C4'-P energy: -11.012
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: 6, replica: 9
=====================================
Write number: 359
Temperature: 1.150000
Total energy: -214.315805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.315805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.315805 (E_RNA)
where:
Base-Base interactions energy: -142.855
where: short stacking energy: -55.569
Base-Backbone interact. energy: 1.539
local terms energy: -73.000315
where:
bonds (distance) C4'-P energy: -15.244
bonds (distance) P-C4' energy: -20.305
flat angles C4'-P-C4' energy: -19.570
flat angles P-C4'-P energy: -5.858
tors. eta vs tors. theta energy: -12.023
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 359
Temperature: 1.200000
Total energy: -166.354286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.354286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.354286 (E_RNA)
where:
Base-Base interactions energy: -95.978
where: short stacking energy: -39.786
Base-Backbone interact. energy: 1.342
local terms energy: -71.718321
where:
bonds (distance) C4'-P energy: -16.769
bonds (distance) P-C4' energy: -18.051
flat angles C4'-P-C4' energy: -17.055
flat angles P-C4'-P energy: -11.711
tors. eta vs tors. theta energy: -8.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 359
Temperature: 1.250000
Total energy: -170.475860 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.475860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.475860 (E_RNA)
where:
Base-Base interactions energy: -100.161
where: short stacking energy: -50.955
Base-Backbone interact. energy: -0.578
local terms energy: -69.737045
where:
bonds (distance) C4'-P energy: -16.673
bonds (distance) P-C4' energy: -16.924
flat angles C4'-P-C4' energy: -15.060
flat angles P-C4'-P energy: -14.734
tors. eta vs tors. theta energy: -6.348
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 359
Temperature: 1.300000
Total energy: -99.922990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.922990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.922990 (E_RNA)
where:
Base-Base interactions energy: -40.884
where: short stacking energy: -34.465
Base-Backbone interact. energy: 0.175
local terms energy: -59.214647
where:
bonds (distance) C4'-P energy: -14.935
bonds (distance) P-C4' energy: -15.979
flat angles C4'-P-C4' energy: -11.865
flat angles P-C4'-P energy: -14.092
tors. eta vs tors. theta energy: -2.344
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 359
Temperature: 1.350000
Total energy: -84.612441 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.612441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.612441 (E_RNA)
where:
Base-Base interactions energy: -34.591
where: short stacking energy: -22.228
Base-Backbone interact. energy: -0.280
local terms energy: -49.741512
where:
bonds (distance) C4'-P energy: -11.356
bonds (distance) P-C4' energy: -15.458
flat angles C4'-P-C4' energy: -13.413
flat angles P-C4'-P energy: -6.148
tors. eta vs tors. theta energy: -3.366
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 360
Temperature: 0.900000
Total energy: -286.598230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.598230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.598230 (E_RNA)
where:
Base-Base interactions energy: -198.862
where: short stacking energy: -80.819
Base-Backbone interact. energy: -0.098
local terms energy: -87.638263
where:
bonds (distance) C4'-P energy: -13.203
bonds (distance) P-C4' energy: -19.760
flat angles C4'-P-C4' energy: -17.541
flat angles P-C4'-P energy: -12.027
tors. eta vs tors. theta energy: -25.107
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 360
Temperature: 0.950000
Total energy: -282.296068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.296068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.296068 (E_RNA)
where:
Base-Base interactions energy: -198.889
where: short stacking energy: -77.863
Base-Backbone interact. energy: -0.496
local terms energy: -82.911052
where:
bonds (distance) C4'-P energy: -15.369
bonds (distance) P-C4' energy: -17.389
flat angles C4'-P-C4' energy: -16.152
flat angles P-C4'-P energy: -14.616
tors. eta vs tors. theta energy: -19.386
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 360
Temperature: 1.000000
Total energy: -274.634458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.634458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.634458 (E_RNA)
where:
Base-Base interactions energy: -188.909
where: short stacking energy: -72.464
Base-Backbone interact. energy: -1.051
local terms energy: -84.675054
where:
bonds (distance) C4'-P energy: -16.851
bonds (distance) P-C4' energy: -16.549
flat angles C4'-P-C4' energy: -14.730
flat angles P-C4'-P energy: -16.665
tors. eta vs tors. theta energy: -19.880
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: 4, replica: 10
=====================================
Write number: 360
Temperature: 1.050000
Total energy: -282.205878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.205878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.205878 (E_RNA)
where:
Base-Base interactions energy: -200.127
where: short stacking energy: -75.158
Base-Backbone interact. energy: -0.664
local terms energy: -81.415042
where:
bonds (distance) C4'-P energy: -16.599
bonds (distance) P-C4' energy: -20.069
flat angles C4'-P-C4' energy: -10.532
flat angles P-C4'-P energy: -11.879
tors. eta vs tors. theta energy: -22.336
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 360
Temperature: 1.100000
Total energy: -277.045270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.045270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.045270 (E_RNA)
where:
Base-Base interactions energy: -185.593
where: short stacking energy: -76.546
Base-Backbone interact. energy: -0.003
local terms energy: -91.449967
where:
bonds (distance) C4'-P energy: -19.956
bonds (distance) P-C4' energy: -17.557
flat angles C4'-P-C4' energy: -16.749
flat angles P-C4'-P energy: -12.115
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: 6, replica: 9
=====================================
Write number: 360
Temperature: 1.150000
Total energy: -207.784021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.784021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.784021 (E_RNA)
where:
Base-Base interactions energy: -131.591
where: short stacking energy: -71.493
Base-Backbone interact. energy: -1.428
local terms energy: -74.765086
where:
bonds (distance) C4'-P energy: -15.214
bonds (distance) P-C4' energy: -12.594
flat angles C4'-P-C4' energy: -16.369
flat angles P-C4'-P energy: -11.494
tors. eta vs tors. theta energy: -19.094
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 360
Temperature: 1.200000
Total energy: -165.756318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.756318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.756318 (E_RNA)
where:
Base-Base interactions energy: -97.327
where: short stacking energy: -34.224
Base-Backbone interact. energy: -1.537
local terms energy: -66.892575
where:
bonds (distance) C4'-P energy: -13.696
bonds (distance) P-C4' energy: -16.936
flat angles C4'-P-C4' energy: -18.299
flat angles P-C4'-P energy: -11.369
tors. eta vs tors. theta energy: -6.592
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 360
Temperature: 1.250000
Total energy: -170.186215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.186215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.186215 (E_RNA)
where:
Base-Base interactions energy: -105.031
where: short stacking energy: -44.118
Base-Backbone interact. energy: -0.094
local terms energy: -65.061264
where:
bonds (distance) C4'-P energy: -12.252
bonds (distance) P-C4' energy: -18.386
flat angles C4'-P-C4' energy: -10.121
flat angles P-C4'-P energy: -13.041
tors. eta vs tors. theta energy: -11.261
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: 4
=====================================
Write number: 360
Temperature: 1.300000
Total energy: -90.568746 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.568746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.568746 (E_RNA)
where:
Base-Base interactions energy: -31.833
where: short stacking energy: -25.323
Base-Backbone interact. energy: -0.154
local terms energy: -58.582050
where:
bonds (distance) C4'-P energy: -11.778
bonds (distance) P-C4' energy: -18.946
flat angles C4'-P-C4' energy: -13.417
flat angles P-C4'-P energy: -12.956
tors. eta vs tors. theta energy: -1.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 360
Temperature: 1.350000
Total energy: -79.165066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.165066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.165066 (E_RNA)
where:
Base-Base interactions energy: -21.900
where: short stacking energy: -16.563
Base-Backbone interact. energy: -0.335
local terms energy: -56.930044
where:
bonds (distance) C4'-P energy: -16.484
bonds (distance) P-C4' energy: -18.172
flat angles C4'-P-C4' energy: -11.485
flat angles P-C4'-P energy: -6.884
tors. eta vs tors. theta energy: -3.905
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 361
Temperature: 0.900000
Total energy: -289.408080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.408080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.408080 (E_RNA)
where:
Base-Base interactions energy: -199.572
where: short stacking energy: -77.354
Base-Backbone interact. energy: -0.770
local terms energy: -89.065687
where:
bonds (distance) C4'-P energy: -14.830
bonds (distance) P-C4' energy: -18.503
flat angles C4'-P-C4' energy: -17.165
flat angles P-C4'-P energy: -14.066
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: 2, replica: 3
=====================================
Write number: 361
Temperature: 0.950000
Total energy: -279.384163 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.384163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.384163 (E_RNA)
where:
Base-Base interactions energy: -192.322
where: short stacking energy: -73.688
Base-Backbone interact. energy: -0.114
local terms energy: -86.948209
where:
bonds (distance) C4'-P energy: -19.533
bonds (distance) P-C4' energy: -14.622
flat angles C4'-P-C4' energy: -19.055
flat angles P-C4'-P energy: -12.273
tors. eta vs tors. theta energy: -21.466
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: 5
=====================================
Write number: 361
Temperature: 1.000000
Total energy: -272.311130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.311130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.311130 (E_RNA)
where:
Base-Base interactions energy: -180.771
where: short stacking energy: -68.148
Base-Backbone interact. energy: -0.160
local terms energy: -91.380547
where:
bonds (distance) C4'-P energy: -17.049
bonds (distance) P-C4' energy: -19.815
flat angles C4'-P-C4' energy: -16.804
flat angles P-C4'-P energy: -15.781
tors. eta vs tors. theta energy: -21.931
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: 6
=====================================
Write number: 361
Temperature: 1.050000
Total energy: -280.496276 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.496276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.496276 (E_RNA)
where:
Base-Base interactions energy: -190.474
where: short stacking energy: -75.956
Base-Backbone interact. energy: -0.366
local terms energy: -89.656291
where:
bonds (distance) C4'-P energy: -19.665
bonds (distance) P-C4' energy: -15.204
flat angles C4'-P-C4' energy: -15.963
flat angles P-C4'-P energy: -15.156
tors. eta vs tors. theta energy: -23.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 361
Temperature: 1.100000
Total energy: -259.494637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.494637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.494637 (E_RNA)
where:
Base-Base interactions energy: -178.089
where: short stacking energy: -67.585
Base-Backbone interact. energy: -0.453
local terms energy: -80.953014
where:
bonds (distance) C4'-P energy: -10.237
bonds (distance) P-C4' energy: -18.272
flat angles C4'-P-C4' energy: -20.976
flat angles P-C4'-P energy: -9.171
tors. eta vs tors. theta energy: -22.296
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: 9
=====================================
Write number: 361
Temperature: 1.150000
Total energy: -203.924066 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.924066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.924066 (E_RNA)
where:
Base-Base interactions energy: -127.668
where: short stacking energy: -60.786
Base-Backbone interact. energy: -0.305
local terms energy: -75.951114
where:
bonds (distance) C4'-P energy: -14.544
bonds (distance) P-C4' energy: -20.881
flat angles C4'-P-C4' energy: -13.225
flat angles P-C4'-P energy: -10.777
tors. eta vs tors. theta energy: -16.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 361
Temperature: 1.200000
Total energy: -182.241693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.241693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.241693 (E_RNA)
where:
Base-Base interactions energy: -114.552
where: short stacking energy: -49.671
Base-Backbone interact. energy: 0.133
local terms energy: -67.822904
where:
bonds (distance) C4'-P energy: -16.208
bonds (distance) P-C4' energy: -20.649
flat angles C4'-P-C4' energy: -14.565
flat angles P-C4'-P energy: -5.905
tors. eta vs tors. theta energy: -10.496
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: 8, replica: 2
=====================================
Write number: 361
Temperature: 1.250000
Total energy: -173.669079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.669079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.669079 (E_RNA)
where:
Base-Base interactions energy: -115.795
where: short stacking energy: -45.717
Base-Backbone interact. energy: -0.242
local terms energy: -57.631812
where:
bonds (distance) C4'-P energy: -8.141
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -14.502
flat angles P-C4'-P energy: -14.990
tors. eta vs tors. theta energy: -3.095
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: 9, replica: 4
=====================================
Write number: 361
Temperature: 1.300000
Total energy: -107.711821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.711821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.711821 (E_RNA)
where:
Base-Base interactions energy: -57.783
where: short stacking energy: -32.769
Base-Backbone interact. energy: 2.316
local terms energy: -52.244878
where:
bonds (distance) C4'-P energy: -16.159
bonds (distance) P-C4' energy: -15.711
flat angles C4'-P-C4' energy: -10.582
flat angles P-C4'-P energy: -6.384
tors. eta vs tors. theta energy: -3.409
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: 10, replica: 1
=====================================
Write number: 361
Temperature: 1.350000
Total energy: -120.949618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.949618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.949618 (E_RNA)
where:
Base-Base interactions energy: -67.306
where: short stacking energy: -36.335
Base-Backbone interact. energy: -0.139
local terms energy: -53.503817
where:
bonds (distance) C4'-P energy: -13.849
bonds (distance) P-C4' energy: -11.600
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -3.470
tors. eta vs tors. theta energy: -8.985
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 362
Temperature: 0.900000
Total energy: -284.419330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.419330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.419330 (E_RNA)
where:
Base-Base interactions energy: -188.261
where: short stacking energy: -70.564
Base-Backbone interact. energy: -1.554
local terms energy: -94.604362
where:
bonds (distance) C4'-P energy: -19.405
bonds (distance) P-C4' energy: -18.340
flat angles C4'-P-C4' energy: -20.166
flat angles P-C4'-P energy: -13.962
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: 2, replica: 3
=====================================
Write number: 362
Temperature: 0.950000
Total energy: -278.563766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.563766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.563766 (E_RNA)
where:
Base-Base interactions energy: -183.517
where: short stacking energy: -86.463
Base-Backbone interact. energy: -0.449
local terms energy: -94.597816
where:
bonds (distance) C4'-P energy: -16.077
bonds (distance) P-C4' energy: -17.690
flat angles C4'-P-C4' energy: -17.344
flat angles P-C4'-P energy: -15.790
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: 6
=====================================
Write number: 362
Temperature: 1.000000
Total energy: -278.623769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.623769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.623769 (E_RNA)
where:
Base-Base interactions energy: -182.424
where: short stacking energy: -73.312
Base-Backbone interact. energy: -1.358
local terms energy: -94.841756
where:
bonds (distance) C4'-P energy: -17.940
bonds (distance) P-C4' energy: -17.739
flat angles C4'-P-C4' energy: -20.122
flat angles P-C4'-P energy: -12.920
tors. eta vs tors. theta energy: -26.121
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 362
Temperature: 1.050000
Total energy: -267.540450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.540450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.540450 (E_RNA)
where:
Base-Base interactions energy: -186.227
where: short stacking energy: -68.528
Base-Backbone interact. energy: -0.661
local terms energy: -80.652692
where:
bonds (distance) C4'-P energy: -11.605
bonds (distance) P-C4' energy: -19.161
flat angles C4'-P-C4' energy: -17.898
flat angles P-C4'-P energy: -11.931
tors. eta vs tors. theta energy: -20.058
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 9
=====================================
Write number: 362
Temperature: 1.100000
Total energy: -210.305321 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.305321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.305321 (E_RNA)
where:
Base-Base interactions energy: -135.747
where: short stacking energy: -59.319
Base-Backbone interact. energy: -0.936
local terms energy: -73.622685
where:
bonds (distance) C4'-P energy: -14.243
bonds (distance) P-C4' energy: -17.135
flat angles C4'-P-C4' energy: -13.107
flat angles P-C4'-P energy: -11.262
tors. eta vs tors. theta energy: -17.875
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 362
Temperature: 1.150000
Total energy: -265.862633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.862633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.862633 (E_RNA)
where:
Base-Base interactions energy: -185.398
where: short stacking energy: -77.996
Base-Backbone interact. energy: -0.189
local terms energy: -80.275618
where:
bonds (distance) C4'-P energy: -16.449
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -16.442
flat angles P-C4'-P energy: -8.361
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: 7, replica: 8
=====================================
Write number: 362
Temperature: 1.200000
Total energy: -171.036582 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.036582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.036582 (E_RNA)
where:
Base-Base interactions energy: -100.197
where: short stacking energy: -40.936
Base-Backbone interact. energy: -0.368
local terms energy: -70.471596
where:
bonds (distance) C4'-P energy: -19.115
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -18.461
flat angles P-C4'-P energy: -5.349
tors. eta vs tors. theta energy: -9.998
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: 8, replica: 2
=====================================
Write number: 362
Temperature: 1.250000
Total energy: -160.757261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.757261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.757261 (E_RNA)
where:
Base-Base interactions energy: -92.745
where: short stacking energy: -43.313
Base-Backbone interact. energy: 0.122
local terms energy: -68.134783
where:
bonds (distance) C4'-P energy: -12.395
bonds (distance) P-C4' energy: -16.248
flat angles C4'-P-C4' energy: -18.001
flat angles P-C4'-P energy: -8.850
tors. eta vs tors. theta energy: -12.641
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: 1
=====================================
Write number: 362
Temperature: 1.300000
Total energy: -130.460531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.460531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.460531 (E_RNA)
where:
Base-Base interactions energy: -69.334
where: short stacking energy: -39.271
Base-Backbone interact. energy: -0.198
local terms energy: -60.928663
where:
bonds (distance) C4'-P energy: -18.241
bonds (distance) P-C4' energy: -13.472
flat angles C4'-P-C4' energy: -18.546
flat angles P-C4'-P energy: -9.015
tors. eta vs tors. theta energy: -1.655
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 362
Temperature: 1.350000
Total energy: -92.275612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.275612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.275612 (E_RNA)
where:
Base-Base interactions energy: -36.304
where: short stacking energy: -26.847
Base-Backbone interact. energy: -0.320
local terms energy: -55.651967
where:
bonds (distance) C4'-P energy: -7.143
bonds (distance) P-C4' energy: -16.908
flat angles C4'-P-C4' energy: -12.927
flat angles P-C4'-P energy: -10.552
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: 1, replica: 7
=====================================
Write number: 363
Temperature: 0.900000
Total energy: -286.741643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.741643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.741643 (E_RNA)
where:
Base-Base interactions energy: -195.157
where: short stacking energy: -81.030
Base-Backbone interact. energy: -0.006
local terms energy: -91.578461
where:
bonds (distance) C4'-P energy: -17.348
bonds (distance) P-C4' energy: -19.055
flat angles C4'-P-C4' energy: -15.902
flat angles P-C4'-P energy: -15.746
tors. eta vs tors. theta energy: -23.528
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 363
Temperature: 0.950000
Total energy: -287.181669 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.181669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.181669 (E_RNA)
where:
Base-Base interactions energy: -198.343
where: short stacking energy: -80.276
Base-Backbone interact. energy: 0.791
local terms energy: -89.630344
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -17.234
flat angles C4'-P-C4' energy: -18.623
flat angles P-C4'-P energy: -12.753
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: 3, replica: 3
=====================================
Write number: 363
Temperature: 1.000000
Total energy: -278.321070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.321070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.321070 (E_RNA)
where:
Base-Base interactions energy: -191.397
where: short stacking energy: -75.850
Base-Backbone interact. energy: -0.008
local terms energy: -86.915911
where:
bonds (distance) C4'-P energy: -17.579
bonds (distance) P-C4' energy: -17.600
flat angles C4'-P-C4' energy: -17.824
flat angles P-C4'-P energy: -12.054
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: 4, replica: 5
=====================================
Write number: 363
Temperature: 1.050000
Total energy: -259.794890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.794890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.794890 (E_RNA)
where:
Base-Base interactions energy: -177.219
where: short stacking energy: -74.814
Base-Backbone interact. energy: -0.862
local terms energy: -81.713423
where:
bonds (distance) C4'-P energy: -14.448
bonds (distance) P-C4' energy: -15.906
flat angles C4'-P-C4' energy: -16.313
flat angles P-C4'-P energy: -12.571
tors. eta vs tors. theta energy: -22.475
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: 363
Temperature: 1.100000
Total energy: -211.060964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.060964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.060964 (E_RNA)
where:
Base-Base interactions energy: -140.848
where: short stacking energy: -57.286
Base-Backbone interact. energy: -0.190
local terms energy: -70.022828
where:
bonds (distance) C4'-P energy: -14.735
bonds (distance) P-C4' energy: -19.843
flat angles C4'-P-C4' energy: -15.056
flat angles P-C4'-P energy: -6.914
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: 6, replica: 10
=====================================
Write number: 363
Temperature: 1.150000
Total energy: -262.547206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.547206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.547206 (E_RNA)
where:
Base-Base interactions energy: -185.835
where: short stacking energy: -69.420
Base-Backbone interact. energy: -1.190
local terms energy: -75.522237
where:
bonds (distance) C4'-P energy: -17.055
bonds (distance) P-C4' energy: -12.732
flat angles C4'-P-C4' energy: -14.066
flat angles P-C4'-P energy: -10.608
tors. eta vs tors. theta energy: -21.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 363
Temperature: 1.200000
Total energy: -169.062388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.062388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.062388 (E_RNA)
where:
Base-Base interactions energy: -108.933
where: short stacking energy: -50.696
Base-Backbone interact. energy: -0.212
local terms energy: -59.916613
where:
bonds (distance) C4'-P energy: -16.623
bonds (distance) P-C4' energy: -18.738
flat angles C4'-P-C4' energy: -13.255
flat angles P-C4'-P energy: -4.863
tors. eta vs tors. theta energy: -6.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 363
Temperature: 1.250000
Total energy: -176.372415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.372415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.372415 (E_RNA)
where:
Base-Base interactions energy: -108.927
where: short stacking energy: -54.729
Base-Backbone interact. energy: -0.836
local terms energy: -66.608866
where:
bonds (distance) C4'-P energy: -15.162
bonds (distance) P-C4' energy: -16.092
flat angles C4'-P-C4' energy: -15.814
flat angles P-C4'-P energy: -13.139
tors. eta vs tors. theta energy: -6.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 363
Temperature: 1.300000
Total energy: -87.292959 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.292959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.292959 (E_RNA)
where:
Base-Base interactions energy: -27.534
where: short stacking energy: -23.587
Base-Backbone interact. energy: -0.126
local terms energy: -59.633950
where:
bonds (distance) C4'-P energy: -11.982
bonds (distance) P-C4' energy: -19.509
flat angles C4'-P-C4' energy: -13.052
flat angles P-C4'-P energy: -13.994
tors. eta vs tors. theta energy: -1.096
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 363
Temperature: 1.350000
Total energy: -86.815250 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.815250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.815250 (E_RNA)
where:
Base-Base interactions energy: -36.567
where: short stacking energy: -33.992
Base-Backbone interact. energy: -0.114
local terms energy: -50.134647
where:
bonds (distance) C4'-P energy: -9.884
bonds (distance) P-C4' energy: -14.963
flat angles C4'-P-C4' energy: -14.039
flat angles P-C4'-P energy: -8.593
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: 1, replica: 6
=====================================
Write number: 364
Temperature: 0.900000
Total energy: -288.550088 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.550088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.550088 (E_RNA)
where:
Base-Base interactions energy: -191.803
where: short stacking energy: -74.249
Base-Backbone interact. energy: -0.256
local terms energy: -96.491393
where:
bonds (distance) C4'-P energy: -19.943
bonds (distance) P-C4' energy: -17.016
flat angles C4'-P-C4' energy: -18.773
flat angles P-C4'-P energy: -15.520
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: 7
=====================================
Write number: 364
Temperature: 0.950000
Total energy: -281.233728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.233728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.233728 (E_RNA)
where:
Base-Base interactions energy: -194.752
where: short stacking energy: -82.802
Base-Backbone interact. energy: -2.202
local terms energy: -84.279238
where:
bonds (distance) C4'-P energy: -14.465
bonds (distance) P-C4' energy: -20.074
flat angles C4'-P-C4' energy: -14.840
flat angles P-C4'-P energy: -11.814
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: 3, replica: 5
=====================================
Write number: 364
Temperature: 1.000000
Total energy: -266.562896 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.562896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.562896 (E_RNA)
where:
Base-Base interactions energy: -177.845
where: short stacking energy: -69.642
Base-Backbone interact. energy: 2.133
local terms energy: -90.850620
where:
bonds (distance) C4'-P energy: -19.822
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -16.831
flat angles P-C4'-P energy: -13.800
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: 3
=====================================
Write number: 364
Temperature: 1.050000
Total energy: -275.799684 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.799684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.799684 (E_RNA)
where:
Base-Base interactions energy: -194.902
where: short stacking energy: -86.183
Base-Backbone interact. energy: -1.153
local terms energy: -79.744221
where:
bonds (distance) C4'-P energy: -14.474
bonds (distance) P-C4' energy: -13.713
flat angles C4'-P-C4' energy: -18.807
flat angles P-C4'-P energy: -6.840
tors. eta vs tors. theta energy: -25.911
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: 5, replica: 10
=====================================
Write number: 364
Temperature: 1.100000
Total energy: -259.862299 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.862299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.862299 (E_RNA)
where:
Base-Base interactions energy: -180.547
where: short stacking energy: -66.954
Base-Backbone interact. energy: -0.542
local terms energy: -78.773664
where:
bonds (distance) C4'-P energy: -7.661
bonds (distance) P-C4' energy: -16.839
flat angles C4'-P-C4' energy: -16.577
flat angles P-C4'-P energy: -17.113
tors. eta vs tors. theta energy: -20.584
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 9
=====================================
Write number: 364
Temperature: 1.150000
Total energy: -196.187442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.187442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.187442 (E_RNA)
where:
Base-Base interactions energy: -123.097
where: short stacking energy: -57.932
Base-Backbone interact. energy: -0.559
local terms energy: -72.531505
where:
bonds (distance) C4'-P energy: -14.399
bonds (distance) P-C4' energy: -15.529
flat angles C4'-P-C4' energy: -17.537
flat angles P-C4'-P energy: -12.367
tors. eta vs tors. theta energy: -12.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 364
Temperature: 1.200000
Total energy: -230.865257 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.865257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.865257 (E_RNA)
where:
Base-Base interactions energy: -146.438
where: short stacking energy: -65.097
Base-Backbone interact. energy: -0.048
local terms energy: -84.379351
where:
bonds (distance) C4'-P energy: -14.896
bonds (distance) P-C4' energy: -16.660
flat angles C4'-P-C4' energy: -17.043
flat angles P-C4'-P energy: -15.515
tors. eta vs tors. theta energy: -20.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 364
Temperature: 1.250000
Total energy: -164.904511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.904511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.904511 (E_RNA)
where:
Base-Base interactions energy: -104.550
where: short stacking energy: -37.730
Base-Backbone interact. energy: -1.562
local terms energy: -58.793236
where:
bonds (distance) C4'-P energy: -16.643
bonds (distance) P-C4' energy: -16.533
flat angles C4'-P-C4' energy: -10.623
flat angles P-C4'-P energy: -10.173
tors. eta vs tors. theta energy: -4.821
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: 4
=====================================
Write number: 364
Temperature: 1.300000
Total energy: -98.146483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.146483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.146483 (E_RNA)
where:
Base-Base interactions energy: -42.217
where: short stacking energy: -28.958
Base-Backbone interact. energy: -0.161
local terms energy: -55.767901
where:
bonds (distance) C4'-P energy: -13.531
bonds (distance) P-C4' energy: -17.555
flat angles C4'-P-C4' energy: -9.870
flat angles P-C4'-P energy: -13.425
tors. eta vs tors. theta energy: -1.386
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: 1
=====================================
Write number: 364
Temperature: 1.350000
Total energy: -82.630098 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.630098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.630098 (E_RNA)
where:
Base-Base interactions energy: -39.901
where: short stacking energy: -25.701
Base-Backbone interact. energy: 3.788
local terms energy: -46.517075
where:
bonds (distance) C4'-P energy: -11.982
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -11.963
flat angles P-C4'-P energy: -7.913
tors. eta vs tors. theta energy: -0.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 365
Temperature: 0.900000
Total energy: -269.847738 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.847738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.847738 (E_RNA)
where:
Base-Base interactions energy: -182.110
where: short stacking energy: -71.416
Base-Backbone interact. energy: -0.340
local terms energy: -87.397834
where:
bonds (distance) C4'-P energy: -18.139
bonds (distance) P-C4' energy: -19.573
flat angles C4'-P-C4' energy: -13.962
flat angles P-C4'-P energy: -13.436
tors. eta vs tors. theta energy: -22.287
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: 7
=====================================
Write number: 365
Temperature: 0.950000
Total energy: -276.944818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.944818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.944818 (E_RNA)
where:
Base-Base interactions energy: -187.605
where: short stacking energy: -75.619
Base-Backbone interact. energy: 0.114
local terms energy: -89.453449
where:
bonds (distance) C4'-P energy: -19.319
bonds (distance) P-C4' energy: -18.303
flat angles C4'-P-C4' energy: -15.654
flat angles P-C4'-P energy: -13.608
tors. eta vs tors. theta energy: -22.569
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 365
Temperature: 1.000000
Total energy: -267.463707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.463707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.463707 (E_RNA)
where:
Base-Base interactions energy: -182.913
where: short stacking energy: -80.889
Base-Backbone interact. energy: -0.004
local terms energy: -84.546582
where:
bonds (distance) C4'-P energy: -17.265
bonds (distance) P-C4' energy: -18.729
flat angles C4'-P-C4' energy: -16.812
flat angles P-C4'-P energy: -11.024
tors. eta vs tors. theta energy: -20.716
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: 365
Temperature: 1.050000
Total energy: -264.609909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.609909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.609909 (E_RNA)
where:
Base-Base interactions energy: -177.672
where: short stacking energy: -71.101
Base-Backbone interact. energy: -0.093
local terms energy: -86.844872
where:
bonds (distance) C4'-P energy: -15.103
bonds (distance) P-C4' energy: -17.981
flat angles C4'-P-C4' energy: -14.206
flat angles P-C4'-P energy: -15.844
tors. eta vs tors. theta energy: -23.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 365
Temperature: 1.100000
Total energy: -274.122115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.122115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.122115 (E_RNA)
where:
Base-Base interactions energy: -188.045
where: short stacking energy: -78.892
Base-Backbone interact. energy: -0.168
local terms energy: -85.909751
where:
bonds (distance) C4'-P energy: -13.866
bonds (distance) P-C4' energy: -18.407
flat angles C4'-P-C4' energy: -14.907
flat angles P-C4'-P energy: -15.225
tors. eta vs tors. theta energy: -23.505
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: 6, replica: 2
=====================================
Write number: 365
Temperature: 1.150000
Total energy: -208.063591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -208.063591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -208.063591 (E_RNA)
where:
Base-Base interactions energy: -132.069
where: short stacking energy: -60.164
Base-Backbone interact. energy: -0.234
local terms energy: -75.759983
where:
bonds (distance) C4'-P energy: -8.757
bonds (distance) P-C4' energy: -18.763
flat angles C4'-P-C4' energy: -17.864
flat angles P-C4'-P energy: -14.224
tors. eta vs tors. theta energy: -16.152
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 365
Temperature: 1.200000
Total energy: -155.378235 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.378235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.378235 (E_RNA)
where:
Base-Base interactions energy: -83.846
where: short stacking energy: -48.876
Base-Backbone interact. energy: -0.878
local terms energy: -70.653711
where:
bonds (distance) C4'-P energy: -11.952
bonds (distance) P-C4' energy: -16.735
flat angles C4'-P-C4' energy: -18.283
flat angles P-C4'-P energy: -14.925
tors. eta vs tors. theta energy: -8.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 365
Temperature: 1.250000
Total energy: -174.763507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.763507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.763507 (E_RNA)
where:
Base-Base interactions energy: -106.645
where: short stacking energy: -49.406
Base-Backbone interact. energy: -0.669
local terms energy: -67.449696
where:
bonds (distance) C4'-P energy: -18.627
bonds (distance) P-C4' energy: -13.812
flat angles C4'-P-C4' energy: -11.855
flat angles P-C4'-P energy: -4.997
tors. eta vs tors. theta energy: -18.159
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: 4
=====================================
Write number: 365
Temperature: 1.300000
Total energy: -92.991256 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.991256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.991256 (E_RNA)
where:
Base-Base interactions energy: -37.798
where: short stacking energy: -37.798
Base-Backbone interact. energy: 0.199
local terms energy: -55.392192
where:
bonds (distance) C4'-P energy: -17.960
bonds (distance) P-C4' energy: -17.433
flat angles C4'-P-C4' energy: -10.962
flat angles P-C4'-P energy: -5.739
tors. eta vs tors. theta energy: -3.297
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: 1
=====================================
Write number: 365
Temperature: 1.350000
Total energy: -92.518158 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.518158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.518158 (E_RNA)
where:
Base-Base interactions energy: -31.597
where: short stacking energy: -31.597
Base-Backbone interact. energy: -0.070
local terms energy: -60.851023
where:
bonds (distance) C4'-P energy: -18.084
bonds (distance) P-C4' energy: -14.152
flat angles C4'-P-C4' energy: -12.692
flat angles P-C4'-P energy: -10.261
tors. eta vs tors. theta energy: -5.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 366
Temperature: 0.900000
Total energy: -284.885652 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.885652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.885652 (E_RNA)
where:
Base-Base interactions energy: -196.262
where: short stacking energy: -78.638
Base-Backbone interact. energy: -1.018
local terms energy: -87.606229
where:
bonds (distance) C4'-P energy: -14.453
bonds (distance) P-C4' energy: -15.577
flat angles C4'-P-C4' energy: -19.640
flat angles P-C4'-P energy: -15.009
tors. eta vs tors. theta energy: -22.927
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: 2, replica: 7
=====================================
Write number: 366
Temperature: 0.950000
Total energy: -286.222856 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.222856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.222856 (E_RNA)
where:
Base-Base interactions energy: -197.876
where: short stacking energy: -91.429
Base-Backbone interact. energy: -0.013
local terms energy: -88.334158
where:
bonds (distance) C4'-P energy: -18.182
bonds (distance) P-C4' energy: -18.019
flat angles C4'-P-C4' energy: -16.991
flat angles P-C4'-P energy: -8.300
tors. eta vs tors. theta energy: -26.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 366
Temperature: 1.000000
Total energy: -275.430430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.430430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.430430 (E_RNA)
where:
Base-Base interactions energy: -183.628
where: short stacking energy: -69.111
Base-Backbone interact. energy: -0.006
local terms energy: -91.796671
where:
bonds (distance) C4'-P energy: -14.993
bonds (distance) P-C4' energy: -22.495
flat angles C4'-P-C4' energy: -17.918
flat angles P-C4'-P energy: -14.486
tors. eta vs tors. theta energy: -21.905
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: 366
Temperature: 1.050000
Total energy: -278.240525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.240525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.240525 (E_RNA)
where:
Base-Base interactions energy: -193.629
where: short stacking energy: -73.377
Base-Backbone interact. energy: -0.164
local terms energy: -84.447025
where:
bonds (distance) C4'-P energy: -15.373
bonds (distance) P-C4' energy: -18.381
flat angles C4'-P-C4' energy: -16.268
flat angles P-C4'-P energy: -14.232
tors. eta vs tors. theta energy: -20.194
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 366
Temperature: 1.100000
Total energy: -266.128084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.128084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.128084 (E_RNA)
where:
Base-Base interactions energy: -185.011
where: short stacking energy: -71.342
Base-Backbone interact. energy: -0.187
local terms energy: -80.929664
where:
bonds (distance) C4'-P energy: -15.558
bonds (distance) P-C4' energy: -18.517
flat angles C4'-P-C4' energy: -15.659
flat angles P-C4'-P energy: -8.502
tors. eta vs tors. theta energy: -22.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 366
Temperature: 1.150000
Total energy: -223.006292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.006292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.006292 (E_RNA)
where:
Base-Base interactions energy: -150.834
where: short stacking energy: -65.064
Base-Backbone interact. energy: -0.134
local terms energy: -72.038233
where:
bonds (distance) C4'-P energy: -14.755
bonds (distance) P-C4' energy: -14.604
flat angles C4'-P-C4' energy: -16.127
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -14.772
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: 7, replica: 8
=====================================
Write number: 366
Temperature: 1.200000
Total energy: -194.457122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -194.457122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -194.457122 (E_RNA)
where:
Base-Base interactions energy: -124.241
where: short stacking energy: -55.011
Base-Backbone interact. energy: 0.124
local terms energy: -70.340317
where:
bonds (distance) C4'-P energy: -15.130
bonds (distance) P-C4' energy: -14.548
flat angles C4'-P-C4' energy: -15.867
flat angles P-C4'-P energy: -11.136
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: 8, replica: 9
=====================================
Write number: 366
Temperature: 1.250000
Total energy: -154.035068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.035068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.035068 (E_RNA)
where:
Base-Base interactions energy: -95.748
where: short stacking energy: -37.192
Base-Backbone interact. energy: -0.385
local terms energy: -57.902472
where:
bonds (distance) C4'-P energy: -12.455
bonds (distance) P-C4' energy: -11.637
flat angles C4'-P-C4' energy: -11.996
flat angles P-C4'-P energy: -11.794
tors. eta vs tors. theta energy: -10.020
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 366
Temperature: 1.300000
Total energy: -83.789478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.789478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.789478 (E_RNA)
where:
Base-Base interactions energy: -29.534
where: short stacking energy: -26.053
Base-Backbone interact. energy: -0.161
local terms energy: -54.094642
where:
bonds (distance) C4'-P energy: -12.690
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -17.015
flat angles P-C4'-P energy: -1.441
tors. eta vs tors. theta energy: -6.050
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: 10, replica: 4
=====================================
Write number: 366
Temperature: 1.350000
Total energy: -84.853281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.853281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.853281 (E_RNA)
where:
Base-Base interactions energy: -26.562
where: short stacking energy: -18.004
Base-Backbone interact. energy: -0.066
local terms energy: -58.225958
where:
bonds (distance) C4'-P energy: -13.434
bonds (distance) P-C4' energy: -17.653
flat angles C4'-P-C4' energy: -15.109
flat angles P-C4'-P energy: -10.806
tors. eta vs tors. theta energy: -1.224
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: 6
=====================================
Write number: 367
Temperature: 0.900000
Total energy: -289.771111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.771111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.771111 (E_RNA)
where:
Base-Base interactions energy: -201.650
where: short stacking energy: -81.830
Base-Backbone interact. energy: -0.203
local terms energy: -87.918135
where:
bonds (distance) C4'-P energy: -15.527
bonds (distance) P-C4' energy: -16.630
flat angles C4'-P-C4' energy: -21.381
flat angles P-C4'-P energy: -15.922
tors. eta vs tors. theta energy: -18.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 367
Temperature: 0.950000
Total energy: -278.967199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.967199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.967199 (E_RNA)
where:
Base-Base interactions energy: -191.825
where: short stacking energy: -74.624
Base-Backbone interact. energy: -0.888
local terms energy: -86.254374
where:
bonds (distance) C4'-P energy: -14.852
bonds (distance) P-C4' energy: -15.933
flat angles C4'-P-C4' energy: -18.463
flat angles P-C4'-P energy: -13.353
tors. eta vs tors. theta energy: -23.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 367
Temperature: 1.000000
Total energy: -283.107595 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.107595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.107595 (E_RNA)
where:
Base-Base interactions energy: -192.997
where: short stacking energy: -73.417
Base-Backbone interact. energy: -0.191
local terms energy: -89.919400
where:
bonds (distance) C4'-P energy: -20.680
bonds (distance) P-C4' energy: -16.151
flat angles C4'-P-C4' energy: -18.940
flat angles P-C4'-P energy: -9.802
tors. eta vs tors. theta energy: -24.347
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: 4, replica: 5
=====================================
Write number: 367
Temperature: 1.050000
Total energy: -284.235845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.235845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.235845 (E_RNA)
where:
Base-Base interactions energy: -191.687
where: short stacking energy: -79.852
Base-Backbone interact. energy: -0.156
local terms energy: -92.393089
where:
bonds (distance) C4'-P energy: -20.440
bonds (distance) P-C4' energy: -17.811
flat angles C4'-P-C4' energy: -18.866
flat angles P-C4'-P energy: -12.777
tors. eta vs tors. theta energy: -22.500
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: 3
=====================================
Write number: 367
Temperature: 1.100000
Total energy: -262.804363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.804363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.804363 (E_RNA)
where:
Base-Base interactions energy: -178.791
where: short stacking energy: -85.699
Base-Backbone interact. energy: -0.004
local terms energy: -84.008700
where:
bonds (distance) C4'-P energy: -12.504
bonds (distance) P-C4' energy: -17.345
flat angles C4'-P-C4' energy: -18.955
flat angles P-C4'-P energy: -14.277
tors. eta vs tors. theta energy: -20.927
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 367
Temperature: 1.150000
Total energy: -212.923401 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -212.923401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -212.923401 (E_RNA)
where:
Base-Base interactions energy: -131.768
where: short stacking energy: -60.473
Base-Backbone interact. energy: 0.181
local terms energy: -81.336370
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -17.807
flat angles C4'-P-C4' energy: -18.762
flat angles P-C4'-P energy: -13.677
tors. eta vs tors. theta energy: -15.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 367
Temperature: 1.200000
Total energy: -223.451425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.451425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.451425 (E_RNA)
where:
Base-Base interactions energy: -147.666
where: short stacking energy: -56.941
Base-Backbone interact. energy: -0.874
local terms energy: -74.911421
where:
bonds (distance) C4'-P energy: -13.997
bonds (distance) P-C4' energy: -16.644
flat angles C4'-P-C4' energy: -17.621
flat angles P-C4'-P energy: -7.627
tors. eta vs tors. theta energy: -19.023
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: 9
=====================================
Write number: 367
Temperature: 1.250000
Total energy: -151.742230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.742230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.742230 (E_RNA)
where:
Base-Base interactions energy: -89.461
where: short stacking energy: -40.108
Base-Backbone interact. energy: -0.643
local terms energy: -61.637986
where:
bonds (distance) C4'-P energy: -21.507
bonds (distance) P-C4' energy: -9.776
flat angles C4'-P-C4' energy: -19.361
flat angles P-C4'-P energy: -10.860
tors. eta vs tors. theta energy: -0.134
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 367
Temperature: 1.300000
Total energy: -85.723224 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.723224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.723224 (E_RNA)
where:
Base-Base interactions energy: -30.326
where: short stacking energy: -30.326
Base-Backbone interact. energy: -0.055
local terms energy: -55.342455
where:
bonds (distance) C4'-P energy: -13.228
bonds (distance) P-C4' energy: -16.561
flat angles C4'-P-C4' energy: -8.954
flat angles P-C4'-P energy: -11.312
tors. eta vs tors. theta energy: -5.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 367
Temperature: 1.350000
Total energy: -99.300342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.300342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.300342 (E_RNA)
where:
Base-Base interactions energy: -37.868
where: short stacking energy: -37.868
Base-Backbone interact. energy: -0.401
local terms energy: -61.031484
where:
bonds (distance) C4'-P energy: -16.417
bonds (distance) P-C4' energy: -15.966
flat angles C4'-P-C4' energy: -14.049
flat angles P-C4'-P energy: -5.131
tors. eta vs tors. theta energy: -9.469
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: 6
=====================================
Write number: 368
Temperature: 0.900000
Total energy: -285.752872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.752872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.752872 (E_RNA)
where:
Base-Base interactions energy: -196.617
where: short stacking energy: -74.863
Base-Backbone interact. energy: -0.654
local terms energy: -88.481274
where:
bonds (distance) C4'-P energy: -19.583
bonds (distance) P-C4' energy: -18.200
flat angles C4'-P-C4' energy: -17.042
flat angles P-C4'-P energy: -13.325
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: 2, replica: 10
=====================================
Write number: 368
Temperature: 0.950000
Total energy: -283.436307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.436307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.436307 (E_RNA)
where:
Base-Base interactions energy: -193.981
where: short stacking energy: -80.736
Base-Backbone interact. energy: -1.853
local terms energy: -87.602467
where:
bonds (distance) C4'-P energy: -15.046
bonds (distance) P-C4' energy: -17.294
flat angles C4'-P-C4' energy: -13.540
flat angles P-C4'-P energy: -15.225
tors. eta vs tors. theta energy: -26.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 368
Temperature: 1.000000
Total energy: -279.593289 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.593289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.593289 (E_RNA)
where:
Base-Base interactions energy: -192.139
where: short stacking energy: -74.220
Base-Backbone interact. energy: -0.126
local terms energy: -87.327326
where:
bonds (distance) C4'-P energy: -17.451
bonds (distance) P-C4' energy: -15.451
flat angles C4'-P-C4' energy: -17.483
flat angles P-C4'-P energy: -17.249
tors. eta vs tors. theta energy: -19.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 368
Temperature: 1.050000
Total energy: -271.734203 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.734203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.734203 (E_RNA)
where:
Base-Base interactions energy: -189.520
where: short stacking energy: -74.833
Base-Backbone interact. energy: -0.623
local terms energy: -81.590317
where:
bonds (distance) C4'-P energy: -16.097
bonds (distance) P-C4' energy: -18.672
flat angles C4'-P-C4' energy: -17.384
flat angles P-C4'-P energy: -9.206
tors. eta vs tors. theta energy: -20.231
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 368
Temperature: 1.100000
Total energy: -262.714418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.714418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.714418 (E_RNA)
where:
Base-Base interactions energy: -180.253
where: short stacking energy: -71.339
Base-Backbone interact. energy: -0.418
local terms energy: -82.043240
where:
bonds (distance) C4'-P energy: -12.955
bonds (distance) P-C4' energy: -16.652
flat angles C4'-P-C4' energy: -16.666
flat angles P-C4'-P energy: -13.329
tors. eta vs tors. theta energy: -22.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 368
Temperature: 1.150000
Total energy: -216.900122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -216.900122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -216.900122 (E_RNA)
where:
Base-Base interactions energy: -146.482
where: short stacking energy: -57.269
Base-Backbone interact. energy: -0.278
local terms energy: -70.140023
where:
bonds (distance) C4'-P energy: -16.403
bonds (distance) P-C4' energy: -10.420
flat angles C4'-P-C4' energy: -12.889
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -19.405
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: 8
=====================================
Write number: 368
Temperature: 1.200000
Total energy: -201.190300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -201.190300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -201.190300 (E_RNA)
where:
Base-Base interactions energy: -128.394
where: short stacking energy: -51.369
Base-Backbone interact. energy: -0.829
local terms energy: -71.967021
where:
bonds (distance) C4'-P energy: -18.029
bonds (distance) P-C4' energy: -18.375
flat angles C4'-P-C4' energy: -11.903
flat angles P-C4'-P energy: -10.002
tors. eta vs tors. theta energy: -13.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 368
Temperature: 1.250000
Total energy: -104.104625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.104625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.104625 (E_RNA)
where:
Base-Base interactions energy: -56.581
where: short stacking energy: -30.375
Base-Backbone interact. energy: -0.791
local terms energy: -46.732963
where:
bonds (distance) C4'-P energy: -17.744
bonds (distance) P-C4' energy: -13.551
flat angles C4'-P-C4' energy: -8.994
flat angles P-C4'-P energy: -7.909
tors. eta vs tors. theta energy: 1.466
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 368
Temperature: 1.300000
Total energy: -109.791900 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.791900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.791900 (E_RNA)
where:
Base-Base interactions energy: -51.094
where: short stacking energy: -32.658
Base-Backbone interact. energy: -0.054
local terms energy: -58.644293
where:
bonds (distance) C4'-P energy: -14.706
bonds (distance) P-C4' energy: -20.284
flat angles C4'-P-C4' energy: -6.232
flat angles P-C4'-P energy: -8.908
tors. eta vs tors. theta energy: -8.514
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: 1
=====================================
Write number: 368
Temperature: 1.350000
Total energy: -74.820938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -74.820938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -74.820938 (E_RNA)
where:
Base-Base interactions energy: -26.858
where: short stacking energy: -26.858
Base-Backbone interact. energy: -0.089
local terms energy: -47.873776
where:
bonds (distance) C4'-P energy: -11.517
bonds (distance) P-C4' energy: -14.678
flat angles C4'-P-C4' energy: -16.232
flat angles P-C4'-P energy: -4.805
tors. eta vs tors. theta energy: -0.641
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 369
Temperature: 0.900000
Total energy: -286.366505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.366505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.366505 (E_RNA)
where:
Base-Base interactions energy: -196.672
where: short stacking energy: -77.490
Base-Backbone interact. energy: -0.140
local terms energy: -89.554353
where:
bonds (distance) C4'-P energy: -15.690
bonds (distance) P-C4' energy: -21.811
flat angles C4'-P-C4' energy: -16.941
flat angles P-C4'-P energy: -13.774
tors. eta vs tors. theta energy: -21.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 369
Temperature: 0.950000
Total energy: -282.471381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.471381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.471381 (E_RNA)
where:
Base-Base interactions energy: -192.681
where: short stacking energy: -81.282
Base-Backbone interact. energy: -0.727
local terms energy: -89.063079
where:
bonds (distance) C4'-P energy: -13.187
bonds (distance) P-C4' energy: -18.628
flat angles C4'-P-C4' energy: -16.300
flat angles P-C4'-P energy: -13.968
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: 3, replica: 5
=====================================
Write number: 369
Temperature: 1.000000
Total energy: -266.568914 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.568914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.568914 (E_RNA)
where:
Base-Base interactions energy: -184.201
where: short stacking energy: -75.270
Base-Backbone interact. energy: -0.057
local terms energy: -82.311133
where:
bonds (distance) C4'-P energy: -17.601
bonds (distance) P-C4' energy: -13.566
flat angles C4'-P-C4' energy: -19.502
flat angles P-C4'-P energy: -11.934
tors. eta vs tors. theta energy: -19.708
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 369
Temperature: 1.050000
Total energy: -276.482907 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.482907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.482907 (E_RNA)
where:
Base-Base interactions energy: -181.490
where: short stacking energy: -83.988
Base-Backbone interact. energy: 0.843
local terms energy: -95.836153
where:
bonds (distance) C4'-P energy: -17.446
bonds (distance) P-C4' energy: -17.019
flat angles C4'-P-C4' energy: -20.389
flat angles P-C4'-P energy: -15.076
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: 5, replica: 3
=====================================
Write number: 369
Temperature: 1.100000
Total energy: -270.466140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.466140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.466140 (E_RNA)
where:
Base-Base interactions energy: -180.601
where: short stacking energy: -69.850
Base-Backbone interact. energy: -0.468
local terms energy: -89.396368
where:
bonds (distance) C4'-P energy: -18.618
bonds (distance) P-C4' energy: -18.805
flat angles C4'-P-C4' energy: -17.794
flat angles P-C4'-P energy: -10.633
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: 2
=====================================
Write number: 369
Temperature: 1.150000
Total energy: -218.091119 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -218.091119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -218.091119 (E_RNA)
where:
Base-Base interactions energy: -135.882
where: short stacking energy: -59.464
Base-Backbone interact. energy: -0.373
local terms energy: -81.836324
where:
bonds (distance) C4'-P energy: -16.839
bonds (distance) P-C4' energy: -20.144
flat angles C4'-P-C4' energy: -14.879
flat angles P-C4'-P energy: -12.426
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: 8
=====================================
Write number: 369
Temperature: 1.200000
Total energy: -185.427989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.427989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.427989 (E_RNA)
where:
Base-Base interactions energy: -118.287
where: short stacking energy: -51.557
Base-Backbone interact. energy: -0.006
local terms energy: -67.134163
where:
bonds (distance) C4'-P energy: -11.455
bonds (distance) P-C4' energy: -13.204
flat angles C4'-P-C4' energy: -20.303
flat angles P-C4'-P energy: -6.083
tors. eta vs tors. theta energy: -16.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 369
Temperature: 1.250000
Total energy: -99.794211 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.794211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.794211 (E_RNA)
where:
Base-Base interactions energy: -38.999
where: short stacking energy: -18.371
Base-Backbone interact. energy: -0.391
local terms energy: -60.404096
where:
bonds (distance) C4'-P energy: -19.790
bonds (distance) P-C4' energy: -16.981
flat angles C4'-P-C4' energy: -9.551
flat angles P-C4'-P energy: -10.747
tors. eta vs tors. theta energy: -3.335
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 369
Temperature: 1.300000
Total energy: -97.854946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.854946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.854946 (E_RNA)
where:
Base-Base interactions energy: -50.055
where: short stacking energy: -23.765
Base-Backbone interact. energy: -0.586
local terms energy: -47.213612
where:
bonds (distance) C4'-P energy: -17.928
bonds (distance) P-C4' energy: -14.642
flat angles C4'-P-C4' energy: -8.005
flat angles P-C4'-P energy: -6.333
tors. eta vs tors. theta energy: -0.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 369
Temperature: 1.350000
Total energy: -96.566566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.566566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.566566 (E_RNA)
where:
Base-Base interactions energy: -36.151
where: short stacking energy: -31.196
Base-Backbone interact. energy: -0.330
local terms energy: -60.085931
where:
bonds (distance) C4'-P energy: -16.837
bonds (distance) P-C4' energy: -10.983
flat angles C4'-P-C4' energy: -18.433
flat angles P-C4'-P energy: -11.156
tors. eta vs tors. theta energy: -2.677
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 370
Temperature: 0.900000
Total energy: -282.161016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.161016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.161016 (E_RNA)
where:
Base-Base interactions energy: -191.222
where: short stacking energy: -78.749
Base-Backbone interact. energy: -0.620
local terms energy: -90.319341
where:
bonds (distance) C4'-P energy: -21.027
bonds (distance) P-C4' energy: -20.238
flat angles C4'-P-C4' energy: -19.052
flat angles P-C4'-P energy: -11.974
tors. eta vs tors. theta energy: -18.028
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 370
Temperature: 0.950000
Total energy: -285.026630 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.026630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.026630 (E_RNA)
where:
Base-Base interactions energy: -191.446
where: short stacking energy: -79.948
Base-Backbone interact. energy: -0.092
local terms energy: -93.488749
where:
bonds (distance) C4'-P energy: -18.978
bonds (distance) P-C4' energy: -14.227
flat angles C4'-P-C4' energy: -18.975
flat angles P-C4'-P energy: -14.151
tors. eta vs tors. theta energy: -27.157
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: 7
=====================================
Write number: 370
Temperature: 1.000000
Total energy: -277.284356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.284356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.284356 (E_RNA)
where:
Base-Base interactions energy: -197.193
where: short stacking energy: -68.564
Base-Backbone interact. energy: -0.323
local terms energy: -79.768602
where:
bonds (distance) C4'-P energy: -17.591
bonds (distance) P-C4' energy: -14.212
flat angles C4'-P-C4' energy: -15.009
flat angles P-C4'-P energy: -11.805
tors. eta vs tors. theta energy: -21.151
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 370
Temperature: 1.050000
Total energy: -283.111303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.111303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.111303 (E_RNA)
where:
Base-Base interactions energy: -192.663
where: short stacking energy: -81.262
Base-Backbone interact. energy: -0.056
local terms energy: -90.391483
where:
bonds (distance) C4'-P energy: -17.119
bonds (distance) P-C4' energy: -20.792
flat angles C4'-P-C4' energy: -16.309
flat angles P-C4'-P energy: -11.959
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: 3
=====================================
Write number: 370
Temperature: 1.100000
Total energy: -276.154261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.154261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.154261 (E_RNA)
where:
Base-Base interactions energy: -189.642
where: short stacking energy: -77.995
Base-Backbone interact. energy: -0.405
local terms energy: -86.107128
where:
bonds (distance) C4'-P energy: -11.983
bonds (distance) P-C4' energy: -19.687
flat angles C4'-P-C4' energy: -17.643
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -24.865
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 2
=====================================
Write number: 370
Temperature: 1.150000
Total energy: -202.863375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.863375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.863375 (E_RNA)
where:
Base-Base interactions energy: -130.961
where: short stacking energy: -61.678
Base-Backbone interact. energy: -0.094
local terms energy: -71.808737
where:
bonds (distance) C4'-P energy: -18.973
bonds (distance) P-C4' energy: -13.506
flat angles C4'-P-C4' energy: -15.123
flat angles P-C4'-P energy: -11.790
tors. eta vs tors. theta energy: -12.417
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 370
Temperature: 1.200000
Total energy: -243.636929 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.636929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.636929 (E_RNA)
where:
Base-Base interactions energy: -171.064
where: short stacking energy: -64.777
Base-Backbone interact. energy: -0.465
local terms energy: -72.108146
where:
bonds (distance) C4'-P energy: -10.479
bonds (distance) P-C4' energy: -12.170
flat angles C4'-P-C4' energy: -17.816
flat angles P-C4'-P energy: -8.843
tors. eta vs tors. theta energy: -22.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 370
Temperature: 1.250000
Total energy: -109.486815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.486815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.486815 (E_RNA)
where:
Base-Base interactions energy: -48.675
where: short stacking energy: -45.574
Base-Backbone interact. energy: 1.396
local terms energy: -62.207137
where:
bonds (distance) C4'-P energy: -11.614
bonds (distance) P-C4' energy: -18.266
flat angles C4'-P-C4' energy: -13.374
flat angles P-C4'-P energy: -9.081
tors. eta vs tors. theta energy: -9.872
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 370
Temperature: 1.300000
Total energy: -95.184757 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.184757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.184757 (E_RNA)
where:
Base-Base interactions energy: -34.608
where: short stacking energy: -32.760
Base-Backbone interact. energy: -0.053
local terms energy: -60.523626
where:
bonds (distance) C4'-P energy: -13.724
bonds (distance) P-C4' energy: -19.079
flat angles C4'-P-C4' energy: -16.005
flat angles P-C4'-P energy: -9.662
tors. eta vs tors. theta energy: -2.052
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: 4
=====================================
Write number: 370
Temperature: 1.350000
Total energy: -85.838537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.838537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.838537 (E_RNA)
where:
Base-Base interactions energy: -26.875
where: short stacking energy: -26.875
Base-Backbone interact. energy: -0.247
local terms energy: -58.716699
where:
bonds (distance) C4'-P energy: -15.720
bonds (distance) P-C4' energy: -14.145
flat angles C4'-P-C4' energy: -14.645
flat angles P-C4'-P energy: -10.736
tors. eta vs tors. theta energy: -3.470
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 371
Temperature: 0.900000
Total energy: -283.326928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.326928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.326928 (E_RNA)
where:
Base-Base interactions energy: -192.921
where: short stacking energy: -80.594
Base-Backbone interact. energy: -0.372
local terms energy: -90.033467
where:
bonds (distance) C4'-P energy: -18.886
bonds (distance) P-C4' energy: -19.033
flat angles C4'-P-C4' energy: -19.626
flat angles P-C4'-P energy: -13.981
tors. eta vs tors. theta energy: -18.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 371
Temperature: 0.950000
Total energy: -286.742326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.742326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.742326 (E_RNA)
where:
Base-Base interactions energy: -187.401
where: short stacking energy: -82.301
Base-Backbone interact. energy: -0.791
local terms energy: -98.550275
where:
bonds (distance) C4'-P energy: -19.463
bonds (distance) P-C4' energy: -18.946
flat angles C4'-P-C4' energy: -19.166
flat angles P-C4'-P energy: -13.857
tors. eta vs tors. theta energy: -27.119
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 371
Temperature: 1.000000
Total energy: -277.608751 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.608751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.608751 (E_RNA)
where:
Base-Base interactions energy: -193.772
where: short stacking energy: -74.430
Base-Backbone interact. energy: -0.173
local terms energy: -83.663327
where:
bonds (distance) C4'-P energy: -16.754
bonds (distance) P-C4' energy: -17.439
flat angles C4'-P-C4' energy: -17.676
flat angles P-C4'-P energy: -12.575
tors. eta vs tors. theta energy: -19.219
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: 4, replica: 3
=====================================
Write number: 371
Temperature: 1.050000
Total energy: -277.659294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.659294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.659294 (E_RNA)
where:
Base-Base interactions energy: -192.810
where: short stacking energy: -85.421
Base-Backbone interact. energy: -1.078
local terms energy: -83.771104
where:
bonds (distance) C4'-P energy: -15.091
bonds (distance) P-C4' energy: -11.169
flat angles C4'-P-C4' energy: -19.722
flat angles P-C4'-P energy: -13.307
tors. eta vs tors. theta energy: -24.483
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: 371
Temperature: 1.100000
Total energy: -263.508409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.508409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.508409 (E_RNA)
where:
Base-Base interactions energy: -171.829
where: short stacking energy: -73.690
Base-Backbone interact. energy: -0.080
local terms energy: -91.599053
where:
bonds (distance) C4'-P energy: -13.617
bonds (distance) P-C4' energy: -18.696
flat angles C4'-P-C4' energy: -21.016
flat angles P-C4'-P energy: -16.001
tors. eta vs tors. theta energy: -22.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 371
Temperature: 1.150000
Total energy: -254.062734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.062734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.062734 (E_RNA)
where:
Base-Base interactions energy: -175.280
where: short stacking energy: -69.525
Base-Backbone interact. energy: -0.501
local terms energy: -78.281768
where:
bonds (distance) C4'-P energy: -12.651
bonds (distance) P-C4' energy: -17.910
flat angles C4'-P-C4' energy: -17.804
flat angles P-C4'-P energy: -4.497
tors. eta vs tors. theta energy: -25.420
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 371
Temperature: 1.200000
Total energy: -184.754787 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.754787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.754787 (E_RNA)
where:
Base-Base interactions energy: -120.335
where: short stacking energy: -53.966
Base-Backbone interact. energy: -0.113
local terms energy: -64.306542
where:
bonds (distance) C4'-P energy: -19.256
bonds (distance) P-C4' energy: -13.603
flat angles C4'-P-C4' energy: -17.659
flat angles P-C4'-P energy: -7.790
tors. eta vs tors. theta energy: -5.998
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 371
Temperature: 1.250000
Total energy: -123.946455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -123.946455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -123.946455 (E_RNA)
where:
Base-Base interactions energy: -50.886
where: short stacking energy: -35.575
Base-Backbone interact. energy: -0.005
local terms energy: -73.056089
where:
bonds (distance) C4'-P energy: -18.254
bonds (distance) P-C4' energy: -15.597
flat angles C4'-P-C4' energy: -13.511
flat angles P-C4'-P energy: -10.097
tors. eta vs tors. theta energy: -15.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 371
Temperature: 1.300000
Total energy: -81.916765 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.916765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.916765 (E_RNA)
where:
Base-Base interactions energy: -27.311
where: short stacking energy: -19.794
Base-Backbone interact. energy: -0.321
local terms energy: -54.285229
where:
bonds (distance) C4'-P energy: -16.303
bonds (distance) P-C4' energy: -12.928
flat angles C4'-P-C4' energy: -15.848
flat angles P-C4'-P energy: -9.239
tors. eta vs tors. theta energy: 0.033
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 371
Temperature: 1.350000
Total energy: -82.665734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.665734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.665734 (E_RNA)
where:
Base-Base interactions energy: -32.513
where: short stacking energy: -20.424
Base-Backbone interact. energy: 3.591
local terms energy: -53.744208
where:
bonds (distance) C4'-P energy: -16.946
bonds (distance) P-C4' energy: -16.538
flat angles C4'-P-C4' energy: -14.469
flat angles P-C4'-P energy: -9.463
tors. eta vs tors. theta energy: 3.672
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 372
Temperature: 0.900000
Total energy: -284.788063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.788063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.788063 (E_RNA)
where:
Base-Base interactions energy: -198.084
where: short stacking energy: -77.796
Base-Backbone interact. energy: -0.424
local terms energy: -86.279684
where:
bonds (distance) C4'-P energy: -15.561
bonds (distance) P-C4' energy: -15.349
flat angles C4'-P-C4' energy: -16.924
flat angles P-C4'-P energy: -15.641
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: 2, replica: 7
=====================================
Write number: 372
Temperature: 0.950000
Total energy: -287.020534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.020534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.020534 (E_RNA)
where:
Base-Base interactions energy: -189.349
where: short stacking energy: -79.117
Base-Backbone interact. energy: -0.168
local terms energy: -97.504373
where:
bonds (distance) C4'-P energy: -18.929
bonds (distance) P-C4' energy: -20.479
flat angles C4'-P-C4' energy: -18.536
flat angles P-C4'-P energy: -14.393
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: 3, replica: 3
=====================================
Write number: 372
Temperature: 1.000000
Total energy: -283.338807 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.338807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.338807 (E_RNA)
where:
Base-Base interactions energy: -193.661
where: short stacking energy: -78.803
Base-Backbone interact. energy: 0.768
local terms energy: -90.445399
where:
bonds (distance) C4'-P energy: -16.638
bonds (distance) P-C4' energy: -16.486
flat angles C4'-P-C4' energy: -16.397
flat angles P-C4'-P energy: -16.639
tors. eta vs tors. theta energy: -24.285
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: 4, replica: 10
=====================================
Write number: 372
Temperature: 1.050000
Total energy: -271.941810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.941810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.941810 (E_RNA)
where:
Base-Base interactions energy: -180.670
where: short stacking energy: -72.818
Base-Backbone interact. energy: -1.606
local terms energy: -89.665078
where:
bonds (distance) C4'-P energy: -19.976
bonds (distance) P-C4' energy: -16.878
flat angles C4'-P-C4' energy: -19.856
flat angles P-C4'-P energy: -12.281
tors. eta vs tors. theta energy: -20.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 372
Temperature: 1.100000
Total energy: -270.666754 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.666754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.666754 (E_RNA)
where:
Base-Base interactions energy: -186.247
where: short stacking energy: -78.349
Base-Backbone interact. energy: -0.416
local terms energy: -84.004209
where:
bonds (distance) C4'-P energy: -14.054
bonds (distance) P-C4' energy: -13.141
flat angles C4'-P-C4' energy: -20.398
flat angles P-C4'-P energy: -12.238
tors. eta vs tors. theta energy: -24.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 372
Temperature: 1.150000
Total energy: -260.813439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.813439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.813439 (E_RNA)
where:
Base-Base interactions energy: -180.838
where: short stacking energy: -69.071
Base-Backbone interact. energy: -1.249
local terms energy: -78.727016
where:
bonds (distance) C4'-P energy: -13.517
bonds (distance) P-C4' energy: -12.705
flat angles C4'-P-C4' energy: -17.255
flat angles P-C4'-P energy: -14.197
tors. eta vs tors. theta energy: -21.054
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 372
Temperature: 1.200000
Total energy: -195.359507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.359507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.359507 (E_RNA)
where:
Base-Base interactions energy: -121.051
where: short stacking energy: -62.193
Base-Backbone interact. energy: -0.099
local terms energy: -74.210014
where:
bonds (distance) C4'-P energy: -17.669
bonds (distance) P-C4' energy: -15.811
flat angles C4'-P-C4' energy: -14.934
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: -15.665
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: 8, replica: 1
=====================================
Write number: 372
Temperature: 1.250000
Total energy: -92.755965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.755965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.755965 (E_RNA)
where:
Base-Base interactions energy: -31.673
where: short stacking energy: -26.934
Base-Backbone interact. energy: -0.738
local terms energy: -60.344908
where:
bonds (distance) C4'-P energy: -16.453
bonds (distance) P-C4' energy: -18.115
flat angles C4'-P-C4' energy: -14.130
flat angles P-C4'-P energy: -11.289
tors. eta vs tors. theta energy: -0.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 372
Temperature: 1.300000
Total energy: -89.846012 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.846012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.846012 (E_RNA)
where:
Base-Base interactions energy: -33.003
where: short stacking energy: -24.416
Base-Backbone interact. energy: -0.890
local terms energy: -55.953308
where:
bonds (distance) C4'-P energy: -19.330
bonds (distance) P-C4' energy: -17.305
flat angles C4'-P-C4' energy: -16.009
flat angles P-C4'-P energy: -8.698
tors. eta vs tors. theta energy: 5.389
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 372
Temperature: 1.350000
Total energy: -84.706764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.706764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.706764 (E_RNA)
where:
Base-Base interactions energy: -44.106
where: short stacking energy: -34.410
Base-Backbone interact. energy: -0.278
local terms energy: -40.322615
where:
bonds (distance) C4'-P energy: -10.238
bonds (distance) P-C4' energy: -12.970
flat angles C4'-P-C4' energy: -11.920
flat angles P-C4'-P energy: -9.378
tors. eta vs tors. theta energy: 4.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 373
Temperature: 0.900000
Total energy: -289.226367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.226367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.226367 (E_RNA)
where:
Base-Base interactions energy: -199.131
where: short stacking energy: -81.914
Base-Backbone interact. energy: -0.122
local terms energy: -89.973215
where:
bonds (distance) C4'-P energy: -18.672
bonds (distance) P-C4' energy: -19.992
flat angles C4'-P-C4' energy: -17.979
flat angles P-C4'-P energy: -13.488
tors. eta vs tors. theta energy: -19.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 373
Temperature: 0.950000
Total energy: -285.520415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.520415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.520415 (E_RNA)
where:
Base-Base interactions energy: -193.247
where: short stacking energy: -75.845
Base-Backbone interact. energy: -0.600
local terms energy: -91.672722
where:
bonds (distance) C4'-P energy: -17.446
bonds (distance) P-C4' energy: -20.563
flat angles C4'-P-C4' energy: -18.925
flat angles P-C4'-P energy: -13.238
tors. eta vs tors. theta energy: -21.500
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: 3, replica: 7
=====================================
Write number: 373
Temperature: 1.000000
Total energy: -275.492096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.492096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.492096 (E_RNA)
where:
Base-Base interactions energy: -184.069
where: short stacking energy: -77.714
Base-Backbone interact. energy: -0.905
local terms energy: -90.518065
where:
bonds (distance) C4'-P energy: -18.453
bonds (distance) P-C4' energy: -19.051
flat angles C4'-P-C4' energy: -17.730
flat angles P-C4'-P energy: -9.644
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: 4, replica: 5
=====================================
Write number: 373
Temperature: 1.050000
Total energy: -257.116084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.116084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.116084 (E_RNA)
where:
Base-Base interactions energy: -172.820
where: short stacking energy: -72.105
Base-Backbone interact. energy: -0.390
local terms energy: -83.906078
where:
bonds (distance) C4'-P energy: -15.521
bonds (distance) P-C4' energy: -15.647
flat angles C4'-P-C4' energy: -16.065
flat angles P-C4'-P energy: -14.474
tors. eta vs tors. theta energy: -22.200
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 373
Temperature: 1.100000
Total energy: -244.453357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.453357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.453357 (E_RNA)
where:
Base-Base interactions energy: -171.714
where: short stacking energy: -73.918
Base-Backbone interact. energy: -0.729
local terms energy: -72.010366
where:
bonds (distance) C4'-P energy: -12.777
bonds (distance) P-C4' energy: -15.862
flat angles C4'-P-C4' energy: -12.884
flat angles P-C4'-P energy: -9.124
tors. eta vs tors. theta energy: -21.363
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: 6, replica: 8
=====================================
Write number: 373
Temperature: 1.150000
Total energy: -279.603347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.603347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.603347 (E_RNA)
where:
Base-Base interactions energy: -185.330
where: short stacking energy: -76.518
Base-Backbone interact. energy: -0.006
local terms energy: -94.267167
where:
bonds (distance) C4'-P energy: -19.968
bonds (distance) P-C4' energy: -17.762
flat angles C4'-P-C4' energy: -19.810
flat angles P-C4'-P energy: -12.681
tors. eta vs tors. theta energy: -24.046
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 373
Temperature: 1.200000
Total energy: -185.139575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.139575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.139575 (E_RNA)
where:
Base-Base interactions energy: -119.009
where: short stacking energy: -41.630
Base-Backbone interact. energy: 0.202
local terms energy: -66.332328
where:
bonds (distance) C4'-P energy: -16.436
bonds (distance) P-C4' energy: -17.146
flat angles C4'-P-C4' energy: -13.670
flat angles P-C4'-P energy: -9.433
tors. eta vs tors. theta energy: -9.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 373
Temperature: 1.250000
Total energy: -113.403781 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.403781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.403781 (E_RNA)
where:
Base-Base interactions energy: -54.058
where: short stacking energy: -33.000
Base-Backbone interact. energy: -0.419
local terms energy: -58.926495
where:
bonds (distance) C4'-P energy: -18.077
bonds (distance) P-C4' energy: -18.055
flat angles C4'-P-C4' energy: -13.162
flat angles P-C4'-P energy: -7.824
tors. eta vs tors. theta energy: -1.809
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 373
Temperature: 1.300000
Total energy: -89.605993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.605993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.605993 (E_RNA)
where:
Base-Base interactions energy: -24.555
where: short stacking energy: -20.679
Base-Backbone interact. energy: -0.073
local terms energy: -64.977884
where:
bonds (distance) C4'-P energy: -18.701
bonds (distance) P-C4' energy: -16.064
flat angles C4'-P-C4' energy: -14.994
flat angles P-C4'-P energy: -11.602
tors. eta vs tors. theta energy: -3.616
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 373
Temperature: 1.350000
Total energy: -101.012874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.012874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.012874 (E_RNA)
where:
Base-Base interactions energy: -39.402
where: short stacking energy: -39.402
Base-Backbone interact. energy: -0.001
local terms energy: -61.609594
where:
bonds (distance) C4'-P energy: -16.290
bonds (distance) P-C4' energy: -14.760
flat angles C4'-P-C4' energy: -13.925
flat angles P-C4'-P energy: -10.836
tors. eta vs tors. theta energy: -5.799
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 374
Temperature: 0.900000
Total energy: -284.838689 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.838689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.838689 (E_RNA)
where:
Base-Base interactions energy: -193.201
where: short stacking energy: -76.722
Base-Backbone interact. energy: -0.459
local terms energy: -91.178557
where:
bonds (distance) C4'-P energy: -15.504
bonds (distance) P-C4' energy: -18.757
flat angles C4'-P-C4' energy: -20.458
flat angles P-C4'-P energy: -13.867
tors. eta vs tors. theta energy: -22.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 374
Temperature: 0.950000
Total energy: -279.005983 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.005983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.005983 (E_RNA)
where:
Base-Base interactions energy: -191.510
where: short stacking energy: -76.506
Base-Backbone interact. energy: -0.239
local terms energy: -87.256301
where:
bonds (distance) C4'-P energy: -15.216
bonds (distance) P-C4' energy: -18.319
flat angles C4'-P-C4' energy: -18.645
flat angles P-C4'-P energy: -14.212
tors. eta vs tors. theta energy: -20.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 374
Temperature: 1.000000
Total energy: -280.827821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.827821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.827821 (E_RNA)
where:
Base-Base interactions energy: -191.526
where: short stacking energy: -75.112
Base-Backbone interact. energy: -0.732
local terms energy: -88.569898
where:
bonds (distance) C4'-P energy: -16.092
bonds (distance) P-C4' energy: -19.419
flat angles C4'-P-C4' energy: -17.748
flat angles P-C4'-P energy: -9.687
tors. eta vs tors. theta energy: -25.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 374
Temperature: 1.050000
Total energy: -276.142815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.142815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.142815 (E_RNA)
where:
Base-Base interactions energy: -189.949
where: short stacking energy: -76.133
Base-Backbone interact. energy: -0.833
local terms energy: -85.360757
where:
bonds (distance) C4'-P energy: -15.386
bonds (distance) P-C4' energy: -14.980
flat angles C4'-P-C4' energy: -16.254
flat angles P-C4'-P energy: -12.690
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: 5, replica: 8
=====================================
Write number: 374
Temperature: 1.100000
Total energy: -264.045792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.045792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.045792 (E_RNA)
where:
Base-Base interactions energy: -178.766
where: short stacking energy: -67.243
Base-Backbone interact. energy: -0.013
local terms energy: -85.267259
where:
bonds (distance) C4'-P energy: -16.835
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -19.370
flat angles P-C4'-P energy: -10.571
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: 6, replica: 10
=====================================
Write number: 374
Temperature: 1.150000
Total energy: -254.762716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.762716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.762716 (E_RNA)
where:
Base-Base interactions energy: -164.688
where: short stacking energy: -72.752
Base-Backbone interact. energy: -0.418
local terms energy: -89.656482
where:
bonds (distance) C4'-P energy: -12.173
bonds (distance) P-C4' energy: -21.071
flat angles C4'-P-C4' energy: -19.161
flat angles P-C4'-P energy: -13.440
tors. eta vs tors. theta energy: -23.810
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: 2
=====================================
Write number: 374
Temperature: 1.200000
Total energy: -185.231566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.231566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.231566 (E_RNA)
where:
Base-Base interactions energy: -131.144
where: short stacking energy: -51.271
Base-Backbone interact. energy: -0.724
local terms energy: -53.363117
where:
bonds (distance) C4'-P energy: -12.360
bonds (distance) P-C4' energy: -12.627
flat angles C4'-P-C4' energy: -10.590
flat angles P-C4'-P energy: -7.126
tors. eta vs tors. theta energy: -10.659
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 374
Temperature: 1.250000
Total energy: -99.919014 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.919014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.919014 (E_RNA)
where:
Base-Base interactions energy: -39.505
where: short stacking energy: -34.070
Base-Backbone interact. energy: -0.352
local terms energy: -60.061495
where:
bonds (distance) C4'-P energy: -17.870
bonds (distance) P-C4' energy: -15.689
flat angles C4'-P-C4' energy: -15.143
flat angles P-C4'-P energy: -5.893
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: 9
=====================================
Write number: 374
Temperature: 1.300000
Total energy: -87.764653 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.764653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.764653 (E_RNA)
where:
Base-Base interactions energy: -28.133
where: short stacking energy: -28.133
Base-Backbone interact. energy: -0.294
local terms energy: -59.337395
where:
bonds (distance) C4'-P energy: -14.322
bonds (distance) P-C4' energy: -17.290
flat angles C4'-P-C4' energy: -16.157
flat angles P-C4'-P energy: -10.633
tors. eta vs tors. theta energy: -0.935
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 374
Temperature: 1.350000
Total energy: -91.236816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.236816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.236816 (E_RNA)
where:
Base-Base interactions energy: -32.441
where: short stacking energy: -21.345
Base-Backbone interact. energy: -0.051
local terms energy: -58.744676
where:
bonds (distance) C4'-P energy: -13.521
bonds (distance) P-C4' energy: -18.138
flat angles C4'-P-C4' energy: -14.827
flat angles P-C4'-P energy: -12.906
tors. eta vs tors. theta energy: 0.648
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 375
Temperature: 0.900000
Total energy: -282.395465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.395465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.395465 (E_RNA)
where:
Base-Base interactions energy: -192.863
where: short stacking energy: -78.536
Base-Backbone interact. energy: -0.358
local terms energy: -89.174219
where:
bonds (distance) C4'-P energy: -19.045
bonds (distance) P-C4' energy: -14.616
flat angles C4'-P-C4' energy: -19.620
flat angles P-C4'-P energy: -13.170
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: 2, replica: 5
=====================================
Write number: 375
Temperature: 0.950000
Total energy: -278.088345 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.088345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.088345 (E_RNA)
where:
Base-Base interactions energy: -192.651
where: short stacking energy: -79.152
Base-Backbone interact. energy: -0.751
local terms energy: -84.685769
where:
bonds (distance) C4'-P energy: -18.728
bonds (distance) P-C4' energy: -16.339
flat angles C4'-P-C4' energy: -17.173
flat angles P-C4'-P energy: -10.159
tors. eta vs tors. theta energy: -22.287
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 375
Temperature: 1.000000
Total energy: -276.033411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.033411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.033411 (E_RNA)
where:
Base-Base interactions energy: -194.814
where: short stacking energy: -77.405
Base-Backbone interact. energy: -0.124
local terms energy: -81.095287
where:
bonds (distance) C4'-P energy: -13.291
bonds (distance) P-C4' energy: -18.217
flat angles C4'-P-C4' energy: -17.212
flat angles P-C4'-P energy: -11.508
tors. eta vs tors. theta energy: -20.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 375
Temperature: 1.050000
Total energy: -274.129102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.129102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.129102 (E_RNA)
where:
Base-Base interactions energy: -189.322
where: short stacking energy: -74.905
Base-Backbone interact. energy: -0.404
local terms energy: -84.402515
where:
bonds (distance) C4'-P energy: -18.387
bonds (distance) P-C4' energy: -14.847
flat angles C4'-P-C4' energy: -17.107
flat angles P-C4'-P energy: -11.780
tors. eta vs tors. theta energy: -22.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 375
Temperature: 1.100000
Total energy: -268.302037 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.302037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.302037 (E_RNA)
where:
Base-Base interactions energy: -181.001
where: short stacking energy: -72.906
Base-Backbone interact. energy: -0.244
local terms energy: -87.057169
where:
bonds (distance) C4'-P energy: -16.292
bonds (distance) P-C4' energy: -12.797
flat angles C4'-P-C4' energy: -20.654
flat angles P-C4'-P energy: -15.082
tors. eta vs tors. theta energy: -22.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 375
Temperature: 1.150000
Total energy: -252.907963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.907963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.907963 (E_RNA)
where:
Base-Base interactions energy: -174.187
where: short stacking energy: -62.658
Base-Backbone interact. energy: -0.814
local terms energy: -77.906580
where:
bonds (distance) C4'-P energy: -11.527
bonds (distance) P-C4' energy: -17.226
flat angles C4'-P-C4' energy: -18.130
flat angles P-C4'-P energy: -16.082
tors. eta vs tors. theta energy: -14.942
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: 2
=====================================
Write number: 375
Temperature: 1.200000
Total energy: -187.103731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.103731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.103731 (E_RNA)
where:
Base-Base interactions energy: -112.019
where: short stacking energy: -54.529
Base-Backbone interact. energy: -0.099
local terms energy: -74.986165
where:
bonds (distance) C4'-P energy: -12.777
bonds (distance) P-C4' energy: -21.436
flat angles C4'-P-C4' energy: -15.463
flat angles P-C4'-P energy: -9.510
tors. eta vs tors. theta energy: -15.801
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 375
Temperature: 1.250000
Total energy: -94.942567 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.942567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.942567 (E_RNA)
where:
Base-Base interactions energy: -40.838
where: short stacking energy: -30.618
Base-Backbone interact. energy: -0.407
local terms energy: -53.697416
where:
bonds (distance) C4'-P energy: -16.048
bonds (distance) P-C4' energy: -17.007
flat angles C4'-P-C4' energy: -12.425
flat angles P-C4'-P energy: -11.306
tors. eta vs tors. theta energy: 3.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 375
Temperature: 1.300000
Total energy: -94.802954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.802954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.802954 (E_RNA)
where:
Base-Base interactions energy: -33.930
where: short stacking energy: -27.528
Base-Backbone interact. energy: -0.365
local terms energy: -60.508326
where:
bonds (distance) C4'-P energy: -16.966
bonds (distance) P-C4' energy: -20.137
flat angles C4'-P-C4' energy: -9.959
flat angles P-C4'-P energy: -15.789
tors. eta vs tors. theta energy: 2.343
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: 10, replica: 1
=====================================
Write number: 375
Temperature: 1.350000
Total energy: -86.644149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.644149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.644149 (E_RNA)
where:
Base-Base interactions energy: -35.802
where: short stacking energy: -30.885
Base-Backbone interact. energy: -0.329
local terms energy: -50.513367
where:
bonds (distance) C4'-P energy: -13.800
bonds (distance) P-C4' energy: -13.529
flat angles C4'-P-C4' energy: -14.515
flat angles P-C4'-P energy: -11.977
tors. eta vs tors. theta energy: 3.307
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 376
Temperature: 0.900000
Total energy: -291.164118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.164118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.164118 (E_RNA)
where:
Base-Base interactions energy: -199.330
where: short stacking energy: -83.284
Base-Backbone interact. energy: -0.705
local terms energy: -91.129230
where:
bonds (distance) C4'-P energy: -15.894
bonds (distance) P-C4' energy: -17.221
flat angles C4'-P-C4' energy: -19.811
flat angles P-C4'-P energy: -14.829
tors. eta vs tors. theta energy: -23.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 376
Temperature: 0.950000
Total energy: -270.700434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.700434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.700434 (E_RNA)
where:
Base-Base interactions energy: -180.420
where: short stacking energy: -80.504
Base-Backbone interact. energy: -0.337
local terms energy: -89.942565
where:
bonds (distance) C4'-P energy: -17.331
bonds (distance) P-C4' energy: -20.775
flat angles C4'-P-C4' energy: -20.367
flat angles P-C4'-P energy: -13.644
tors. eta vs tors. theta energy: -17.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 376
Temperature: 1.000000
Total energy: -275.656892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.656892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.656892 (E_RNA)
where:
Base-Base interactions energy: -186.822
where: short stacking energy: -76.261
Base-Backbone interact. energy: -0.102
local terms energy: -88.733247
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -16.681
flat angles C4'-P-C4' energy: -18.847
flat angles P-C4'-P energy: -12.403
tors. eta vs tors. theta energy: -26.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 376
Temperature: 1.050000
Total energy: -281.457463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.457463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.457463 (E_RNA)
where:
Base-Base interactions energy: -183.120
where: short stacking energy: -75.319
Base-Backbone interact. energy: -0.456
local terms energy: -97.881093
where:
bonds (distance) C4'-P energy: -18.713
bonds (distance) P-C4' energy: -20.448
flat angles C4'-P-C4' energy: -18.774
flat angles P-C4'-P energy: -13.241
tors. eta vs tors. theta energy: -26.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 376
Temperature: 1.100000
Total energy: -263.862835 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.862835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.862835 (E_RNA)
where:
Base-Base interactions energy: -182.602
where: short stacking energy: -75.987
Base-Backbone interact. energy: -0.048
local terms energy: -81.211893
where:
bonds (distance) C4'-P energy: -13.687
bonds (distance) P-C4' energy: -10.214
flat angles C4'-P-C4' energy: -17.186
flat angles P-C4'-P energy: -14.118
tors. eta vs tors. theta energy: -26.008
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: 10
=====================================
Write number: 376
Temperature: 1.150000
Total energy: -245.045351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.045351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.045351 (E_RNA)
where:
Base-Base interactions energy: -170.209
where: short stacking energy: -67.484
Base-Backbone interact. energy: -0.281
local terms energy: -74.555315
where:
bonds (distance) C4'-P energy: -16.827
bonds (distance) P-C4' energy: -15.331
flat angles C4'-P-C4' energy: -12.440
flat angles P-C4'-P energy: -8.630
tors. eta vs tors. theta energy: -21.328
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 376
Temperature: 1.200000
Total energy: -184.327147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.327147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.327147 (E_RNA)
where:
Base-Base interactions energy: -112.103
where: short stacking energy: -58.506
Base-Backbone interact. energy: -1.390
local terms energy: -70.834999
where:
bonds (distance) C4'-P energy: -13.443
bonds (distance) P-C4' energy: -13.838
flat angles C4'-P-C4' energy: -17.177
flat angles P-C4'-P energy: -11.008
tors. eta vs tors. theta energy: -15.370
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 376
Temperature: 1.250000
Total energy: -102.973647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.973647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.973647 (E_RNA)
where:
Base-Base interactions energy: -51.345
where: short stacking energy: -37.518
Base-Backbone interact. energy: 2.523
local terms energy: -54.150839
where:
bonds (distance) C4'-P energy: -9.614
bonds (distance) P-C4' energy: -13.831
flat angles C4'-P-C4' energy: -17.645
flat angles P-C4'-P energy: -6.236
tors. eta vs tors. theta energy: -6.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 376
Temperature: 1.300000
Total energy: -90.970986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.970986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.970986 (E_RNA)
where:
Base-Base interactions energy: -40.329
where: short stacking energy: -37.453
Base-Backbone interact. energy: -0.300
local terms energy: -50.342003
where:
bonds (distance) C4'-P energy: -12.463
bonds (distance) P-C4' energy: -17.633
flat angles C4'-P-C4' energy: -4.716
flat angles P-C4'-P energy: -9.408
tors. eta vs tors. theta energy: -6.122
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: 10, replica: 4
=====================================
Write number: 376
Temperature: 1.350000
Total energy: -77.874677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.874677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.874677 (E_RNA)
where:
Base-Base interactions energy: -24.664
where: short stacking energy: -22.597
Base-Backbone interact. energy: -0.148
local terms energy: -53.063218
where:
bonds (distance) C4'-P energy: -16.937
bonds (distance) P-C4' energy: -19.211
flat angles C4'-P-C4' energy: -12.289
flat angles P-C4'-P energy: -10.964
tors. eta vs tors. theta energy: 6.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 377
Temperature: 0.900000
Total energy: -292.939747 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.939747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.939747 (E_RNA)
where:
Base-Base interactions energy: -202.480
where: short stacking energy: -86.627
Base-Backbone interact. energy: 0.310
local terms energy: -90.769683
where:
bonds (distance) C4'-P energy: -15.960
bonds (distance) P-C4' energy: -20.834
flat angles C4'-P-C4' energy: -18.608
flat angles P-C4'-P energy: -8.288
tors. eta vs tors. theta energy: -27.080
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: 5
=====================================
Write number: 377
Temperature: 0.950000
Total energy: -280.442910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.442910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.442910 (E_RNA)
where:
Base-Base interactions energy: -191.159
where: short stacking energy: -90.503
Base-Backbone interact. energy: -0.315
local terms energy: -88.968635
where:
bonds (distance) C4'-P energy: -17.529
bonds (distance) P-C4' energy: -16.288
flat angles C4'-P-C4' energy: -19.806
flat angles P-C4'-P energy: -9.109
tors. eta vs tors. theta energy: -26.236
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 377
Temperature: 1.000000
Total energy: -279.178978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.178978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.178978 (E_RNA)
where:
Base-Base interactions energy: -192.899
where: short stacking energy: -82.516
Base-Backbone interact. energy: -1.638
local terms energy: -84.642180
where:
bonds (distance) C4'-P energy: -16.381
bonds (distance) P-C4' energy: -17.228
flat angles C4'-P-C4' energy: -15.546
flat angles P-C4'-P energy: -11.263
tors. eta vs tors. theta energy: -24.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 377
Temperature: 1.050000
Total energy: -263.888862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.888862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.888862 (E_RNA)
where:
Base-Base interactions energy: -176.455
where: short stacking energy: -76.200
Base-Backbone interact. energy: -0.067
local terms energy: -87.367534
where:
bonds (distance) C4'-P energy: -17.807
bonds (distance) P-C4' energy: -19.219
flat angles C4'-P-C4' energy: -16.437
flat angles P-C4'-P energy: -12.877
tors. eta vs tors. theta energy: -21.028
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: 6
=====================================
Write number: 377
Temperature: 1.100000
Total energy: -268.517645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.517645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.517645 (E_RNA)
where:
Base-Base interactions energy: -184.743
where: short stacking energy: -80.826
Base-Backbone interact. energy: -0.035
local terms energy: -83.739434
where:
bonds (distance) C4'-P energy: -15.220
bonds (distance) P-C4' energy: -16.144
flat angles C4'-P-C4' energy: -19.808
flat angles P-C4'-P energy: -8.414
tors. eta vs tors. theta energy: -24.153
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 377
Temperature: 1.150000
Total energy: -263.042620 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.042620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.042620 (E_RNA)
where:
Base-Base interactions energy: -170.741
where: short stacking energy: -56.554
Base-Backbone interact. energy: -0.082
local terms energy: -92.218725
where:
bonds (distance) C4'-P energy: -19.114
bonds (distance) P-C4' energy: -19.570
flat angles C4'-P-C4' energy: -17.958
flat angles P-C4'-P energy: -13.448
tors. eta vs tors. theta energy: -22.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 377
Temperature: 1.200000
Total energy: -178.848878 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.848878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.848878 (E_RNA)
where:
Base-Base interactions energy: -122.893
where: short stacking energy: -51.129
Base-Backbone interact. energy: -0.183
local terms energy: -55.773061
where:
bonds (distance) C4'-P energy: -15.765
bonds (distance) P-C4' energy: -8.271
flat angles C4'-P-C4' energy: -12.818
flat angles P-C4'-P energy: -6.105
tors. eta vs tors. theta energy: -12.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 377
Temperature: 1.250000
Total energy: -96.186658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.186658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.186658 (E_RNA)
where:
Base-Base interactions energy: -39.008
where: short stacking energy: -28.526
Base-Backbone interact. energy: -0.318
local terms energy: -56.860254
where:
bonds (distance) C4'-P energy: -13.850
bonds (distance) P-C4' energy: -17.656
flat angles C4'-P-C4' energy: -14.873
flat angles P-C4'-P energy: -5.122
tors. eta vs tors. theta energy: -5.359
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 377
Temperature: 1.300000
Total energy: -85.467187 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.467187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.467187 (E_RNA)
where:
Base-Base interactions energy: -27.919
where: short stacking energy: -25.173
Base-Backbone interact. energy: -0.301
local terms energy: -57.246981
where:
bonds (distance) C4'-P energy: -14.159
bonds (distance) P-C4' energy: -18.189
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -9.798
tors. eta vs tors. theta energy: 0.653
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: 4
=====================================
Write number: 377
Temperature: 1.350000
Total energy: -75.525075 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -75.525075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -75.525075 (E_RNA)
where:
Base-Base interactions energy: -20.024
where: short stacking energy: -13.259
Base-Backbone interact. energy: -0.320
local terms energy: -55.180535
where:
bonds (distance) C4'-P energy: -18.920
bonds (distance) P-C4' energy: -18.638
flat angles C4'-P-C4' energy: -17.219
flat angles P-C4'-P energy: -8.206
tors. eta vs tors. theta energy: 7.802
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: 3
=====================================
Write number: 378
Temperature: 0.900000
Total energy: -296.426402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.426402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.426402 (E_RNA)
where:
Base-Base interactions energy: -198.318
where: short stacking energy: -73.157
Base-Backbone interact. energy: -0.117
local terms energy: -97.991153
where:
bonds (distance) C4'-P energy: -18.232
bonds (distance) P-C4' energy: -19.769
flat angles C4'-P-C4' energy: -18.952
flat angles P-C4'-P energy: -15.160
tors. eta vs tors. theta energy: -25.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 378
Temperature: 0.950000
Total energy: -283.160169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.160169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.160169 (E_RNA)
where:
Base-Base interactions energy: -188.959
where: short stacking energy: -81.728
Base-Backbone interact. energy: -0.341
local terms energy: -93.859643
where:
bonds (distance) C4'-P energy: -18.129
bonds (distance) P-C4' energy: -19.330
flat angles C4'-P-C4' energy: -16.951
flat angles P-C4'-P energy: -12.196
tors. eta vs tors. theta energy: -27.253
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: 7
=====================================
Write number: 378
Temperature: 1.000000
Total energy: -284.931645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.931645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.931645 (E_RNA)
where:
Base-Base interactions energy: -191.856
where: short stacking energy: -81.656
Base-Backbone interact. energy: -0.088
local terms energy: -92.988138
where:
bonds (distance) C4'-P energy: -18.171
bonds (distance) P-C4' energy: -18.004
flat angles C4'-P-C4' energy: -20.673
flat angles P-C4'-P energy: -10.624
tors. eta vs tors. theta energy: -25.517
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: 4, replica: 8
=====================================
Write number: 378
Temperature: 1.050000
Total energy: -270.858083 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.858083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.858083 (E_RNA)
where:
Base-Base interactions energy: -184.693
where: short stacking energy: -75.607
Base-Backbone interact. energy: -2.235
local terms energy: -83.930489
where:
bonds (distance) C4'-P energy: -15.058
bonds (distance) P-C4' energy: -19.749
flat angles C4'-P-C4' energy: -17.011
flat angles P-C4'-P energy: -9.334
tors. eta vs tors. theta energy: -22.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 378
Temperature: 1.100000
Total energy: -266.930400 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.930400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.930400 (E_RNA)
where:
Base-Base interactions energy: -190.088
where: short stacking energy: -71.379
Base-Backbone interact. energy: -0.344
local terms energy: -76.498414
where:
bonds (distance) C4'-P energy: -8.741
bonds (distance) P-C4' energy: -16.716
flat angles C4'-P-C4' energy: -18.515
flat angles P-C4'-P energy: -10.764
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: 6, replica: 6
=====================================
Write number: 378
Temperature: 1.150000
Total energy: -247.002526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.002526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.002526 (E_RNA)
where:
Base-Base interactions energy: -166.597
where: short stacking energy: -71.325
Base-Backbone interact. energy: -2.391
local terms energy: -78.014590
where:
bonds (distance) C4'-P energy: -16.196
bonds (distance) P-C4' energy: -17.131
flat angles C4'-P-C4' energy: -11.226
flat angles P-C4'-P energy: -13.137
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: 7, replica: 2
=====================================
Write number: 378
Temperature: 1.200000
Total energy: -171.078396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.078396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.078396 (E_RNA)
where:
Base-Base interactions energy: -113.903
where: short stacking energy: -58.391
Base-Backbone interact. energy: -0.148
local terms energy: -57.027355
where:
bonds (distance) C4'-P energy: -9.659
bonds (distance) P-C4' energy: -13.961
flat angles C4'-P-C4' energy: -16.808
flat angles P-C4'-P energy: -5.373
tors. eta vs tors. theta energy: -11.225
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 378
Temperature: 1.250000
Total energy: -104.815355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.815355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.815355 (E_RNA)
where:
Base-Base interactions energy: -44.676
where: short stacking energy: -44.192
Base-Backbone interact. energy: -0.245
local terms energy: -59.894294
where:
bonds (distance) C4'-P energy: -8.964
bonds (distance) P-C4' energy: -18.039
flat angles C4'-P-C4' energy: -14.367
flat angles P-C4'-P energy: -10.256
tors. eta vs tors. theta energy: -8.268
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: 4
=====================================
Write number: 378
Temperature: 1.300000
Total energy: -95.374608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.374608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.374608 (E_RNA)
where:
Base-Base interactions energy: -45.846
where: short stacking energy: -37.955
Base-Backbone interact. energy: -0.164
local terms energy: -49.364214
where:
bonds (distance) C4'-P energy: -8.339
bonds (distance) P-C4' energy: -12.888
flat angles C4'-P-C4' energy: -15.529
flat angles P-C4'-P energy: -10.046
tors. eta vs tors. theta energy: -2.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 378
Temperature: 1.350000
Total energy: -92.793341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.793341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.793341 (E_RNA)
where:
Base-Base interactions energy: -39.900
where: short stacking energy: -32.970
Base-Backbone interact. energy: -0.865
local terms energy: -52.028031
where:
bonds (distance) C4'-P energy: -12.595
bonds (distance) P-C4' energy: -11.720
flat angles C4'-P-C4' energy: -17.296
flat angles P-C4'-P energy: -4.663
tors. eta vs tors. theta energy: -5.754
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: 3
=====================================
Write number: 379
Temperature: 0.900000
Total energy: -289.831690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.831690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.831690 (E_RNA)
where:
Base-Base interactions energy: -200.264
where: short stacking energy: -85.182
Base-Backbone interact. energy: -0.135
local terms energy: -89.432176
where:
bonds (distance) C4'-P energy: -17.155
bonds (distance) P-C4' energy: -16.834
flat angles C4'-P-C4' energy: -16.371
flat angles P-C4'-P energy: -13.383
tors. eta vs tors. theta energy: -25.690
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: 379
Temperature: 0.950000
Total energy: -277.574681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.574681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.574681 (E_RNA)
where:
Base-Base interactions energy: -191.507
where: short stacking energy: -86.231
Base-Backbone interact. energy: -0.082
local terms energy: -85.985185
where:
bonds (distance) C4'-P energy: -17.652
bonds (distance) P-C4' energy: -13.361
flat angles C4'-P-C4' energy: -18.194
flat angles P-C4'-P energy: -12.959
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: 3, replica: 5
=====================================
Write number: 379
Temperature: 1.000000
Total energy: -283.490964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.490964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.490964 (E_RNA)
where:
Base-Base interactions energy: -192.484
where: short stacking energy: -84.005
Base-Backbone interact. energy: -0.444
local terms energy: -90.563155
where:
bonds (distance) C4'-P energy: -13.191
bonds (distance) P-C4' energy: -16.774
flat angles C4'-P-C4' energy: -20.132
flat angles P-C4'-P energy: -12.008
tors. eta vs tors. theta energy: -28.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 379
Temperature: 1.050000
Total energy: -269.855474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.855474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.855474 (E_RNA)
where:
Base-Base interactions energy: -183.889
where: short stacking energy: -73.048
Base-Backbone interact. energy: -0.719
local terms energy: -85.247181
where:
bonds (distance) C4'-P energy: -17.057
bonds (distance) P-C4' energy: -16.538
flat angles C4'-P-C4' energy: -16.332
flat angles P-C4'-P energy: -15.955
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: 10
=====================================
Write number: 379
Temperature: 1.100000
Total energy: -263.248426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.248426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.248426 (E_RNA)
where:
Base-Base interactions energy: -187.083
where: short stacking energy: -71.157
Base-Backbone interact. energy: -0.686
local terms energy: -75.479409
where:
bonds (distance) C4'-P energy: -14.906
bonds (distance) P-C4' energy: -14.461
flat angles C4'-P-C4' energy: -18.626
flat angles P-C4'-P energy: -5.670
tors. eta vs tors. theta energy: -21.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 379
Temperature: 1.150000
Total energy: -246.796863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.796863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.796863 (E_RNA)
where:
Base-Base interactions energy: -162.448
where: short stacking energy: -71.546
Base-Backbone interact. energy: -0.046
local terms energy: -84.302218
where:
bonds (distance) C4'-P energy: -16.917
bonds (distance) P-C4' energy: -19.369
flat angles C4'-P-C4' energy: -17.399
flat angles P-C4'-P energy: -10.371
tors. eta vs tors. theta energy: -20.247
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 379
Temperature: 1.200000
Total energy: -193.558566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.558566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.558566 (E_RNA)
where:
Base-Base interactions energy: -121.424
where: short stacking energy: -56.855
Base-Backbone interact. energy: -0.205
local terms energy: -71.928924
where:
bonds (distance) C4'-P energy: -15.179
bonds (distance) P-C4' energy: -11.221
flat angles C4'-P-C4' energy: -17.791
flat angles P-C4'-P energy: -14.946
tors. eta vs tors. theta energy: -12.792
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: 4
=====================================
Write number: 379
Temperature: 1.250000
Total energy: -95.298081 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.298081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.298081 (E_RNA)
where:
Base-Base interactions energy: -33.434
where: short stacking energy: -24.976
Base-Backbone interact. energy: -0.127
local terms energy: -61.737490
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -18.336
flat angles C4'-P-C4' energy: -17.901
flat angles P-C4'-P energy: -12.622
tors. eta vs tors. theta energy: 0.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 379
Temperature: 1.300000
Total energy: -99.905730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.905730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.905730 (E_RNA)
where:
Base-Base interactions energy: -28.891
where: short stacking energy: -27.875
Base-Backbone interact. energy: 0.723
local terms energy: -71.737130
where:
bonds (distance) C4'-P energy: -17.153
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -19.121
flat angles P-C4'-P energy: -14.339
tors. eta vs tors. theta energy: -3.547
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: 10, replica: 9
=====================================
Write number: 379
Temperature: 1.350000
Total energy: -94.004067 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.004067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.004067 (E_RNA)
where:
Base-Base interactions energy: -39.787
where: short stacking energy: -39.787
Base-Backbone interact. energy: 3.524
local terms energy: -57.741096
where:
bonds (distance) C4'-P energy: -16.804
bonds (distance) P-C4' energy: -17.116
flat angles C4'-P-C4' energy: -14.316
flat angles P-C4'-P energy: -4.378
tors. eta vs tors. theta energy: -5.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 380
Temperature: 0.900000
Total energy: -289.371635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.371635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.371635 (E_RNA)
where:
Base-Base interactions energy: -196.624
where: short stacking energy: -87.345
Base-Backbone interact. energy: -0.406
local terms energy: -92.341550
where:
bonds (distance) C4'-P energy: -13.004
bonds (distance) P-C4' energy: -20.541
flat angles C4'-P-C4' energy: -20.666
flat angles P-C4'-P energy: -13.511
tors. eta vs tors. theta energy: -24.619
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 380
Temperature: 0.950000
Total energy: -283.092472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.092472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.092472 (E_RNA)
where:
Base-Base interactions energy: -193.488
where: short stacking energy: -78.881
Base-Backbone interact. energy: -0.008
local terms energy: -89.596636
where:
bonds (distance) C4'-P energy: -18.709
bonds (distance) P-C4' energy: -14.966
flat angles C4'-P-C4' energy: -17.480
flat angles P-C4'-P energy: -12.370
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: 3, replica: 5
=====================================
Write number: 380
Temperature: 1.000000
Total energy: -273.181935 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.181935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.181935 (E_RNA)
where:
Base-Base interactions energy: -185.587
where: short stacking energy: -67.970
Base-Backbone interact. energy: -0.222
local terms energy: -87.372562
where:
bonds (distance) C4'-P energy: -19.069
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -17.610
flat angles P-C4'-P energy: -12.569
tors. eta vs tors. theta energy: -22.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 380
Temperature: 1.050000
Total energy: -267.004214 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.004214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.004214 (E_RNA)
where:
Base-Base interactions energy: -171.824
where: short stacking energy: -74.675
Base-Backbone interact. energy: -0.060
local terms energy: -95.120223
where:
bonds (distance) C4'-P energy: -17.280
bonds (distance) P-C4' energy: -19.703
flat angles C4'-P-C4' energy: -21.723
flat angles P-C4'-P energy: -10.751
tors. eta vs tors. theta energy: -25.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 380
Temperature: 1.100000
Total energy: -267.194671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.194671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.194671 (E_RNA)
where:
Base-Base interactions energy: -188.161
where: short stacking energy: -66.701
Base-Backbone interact. energy: -0.257
local terms energy: -78.776421
where:
bonds (distance) C4'-P energy: -17.889
bonds (distance) P-C4' energy: -12.812
flat angles C4'-P-C4' energy: -16.461
flat angles P-C4'-P energy: -9.296
tors. eta vs tors. theta energy: -22.319
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: 10
=====================================
Write number: 380
Temperature: 1.150000
Total energy: -263.850301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.850301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.850301 (E_RNA)
where:
Base-Base interactions energy: -183.978
where: short stacking energy: -72.865
Base-Backbone interact. energy: 1.923
local terms energy: -81.794657
where:
bonds (distance) C4'-P energy: -16.189
bonds (distance) P-C4' energy: -19.621
flat angles C4'-P-C4' energy: -16.860
flat angles P-C4'-P energy: -10.166
tors. eta vs tors. theta energy: -18.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 380
Temperature: 1.200000
Total energy: -191.633010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.633010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.633010 (E_RNA)
where:
Base-Base interactions energy: -121.736
where: short stacking energy: -47.951
Base-Backbone interact. energy: 0.471
local terms energy: -70.368159
where:
bonds (distance) C4'-P energy: -13.692
bonds (distance) P-C4' energy: -20.784
flat angles C4'-P-C4' energy: -17.809
flat angles P-C4'-P energy: -9.322
tors. eta vs tors. theta energy: -8.761
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 380
Temperature: 1.250000
Total energy: -105.045735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.045735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.045735 (E_RNA)
where:
Base-Base interactions energy: -42.901
where: short stacking energy: -23.145
Base-Backbone interact. energy: -0.033
local terms energy: -62.111090
where:
bonds (distance) C4'-P energy: -19.455
bonds (distance) P-C4' energy: -13.238
flat angles C4'-P-C4' energy: -14.834
flat angles P-C4'-P energy: -10.285
tors. eta vs tors. theta energy: -4.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 380
Temperature: 1.300000
Total energy: -92.060565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.060565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.060565 (E_RNA)
where:
Base-Base interactions energy: -33.751
where: short stacking energy: -30.986
Base-Backbone interact. energy: -0.222
local terms energy: -58.088189
where:
bonds (distance) C4'-P energy: -17.636
bonds (distance) P-C4' energy: -18.404
flat angles C4'-P-C4' energy: -11.751
flat angles P-C4'-P energy: -4.456
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: 10, replica: 1
=====================================
Write number: 380
Temperature: 1.350000
Total energy: -92.020213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.020213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.020213 (E_RNA)
where:
Base-Base interactions energy: -36.668
where: short stacking energy: -30.506
Base-Backbone interact. energy: -0.652
local terms energy: -54.700221
where:
bonds (distance) C4'-P energy: -15.244
bonds (distance) P-C4' energy: -17.900
flat angles C4'-P-C4' energy: -8.646
flat angles P-C4'-P energy: -10.446
tors. eta vs tors. theta energy: -2.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 381
Temperature: 0.900000
Total energy: -290.120077 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.120077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.120077 (E_RNA)
where:
Base-Base interactions energy: -196.033
where: short stacking energy: -83.594
Base-Backbone interact. energy: -0.001
local terms energy: -94.086043
where:
bonds (distance) C4'-P energy: -18.176
bonds (distance) P-C4' energy: -18.657
flat angles C4'-P-C4' energy: -20.893
flat angles P-C4'-P energy: -10.300
tors. eta vs tors. theta energy: -26.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 381
Temperature: 0.950000
Total energy: -290.260456 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.260456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.260456 (E_RNA)
where:
Base-Base interactions energy: -192.604
where: short stacking energy: -79.255
Base-Backbone interact. energy: -2.661
local terms energy: -94.995630
where:
bonds (distance) C4'-P energy: -18.490
bonds (distance) P-C4' energy: -20.042
flat angles C4'-P-C4' energy: -19.054
flat angles P-C4'-P energy: -12.200
tors. eta vs tors. theta energy: -25.209
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: 3, replica: 7
=====================================
Write number: 381
Temperature: 1.000000
Total energy: -279.548639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.548639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.548639 (E_RNA)
where:
Base-Base interactions energy: -191.003
where: short stacking energy: -72.737
Base-Backbone interact. energy: -0.190
local terms energy: -88.355887
where:
bonds (distance) C4'-P energy: -17.612
bonds (distance) P-C4' energy: -18.376
flat angles C4'-P-C4' energy: -17.548
flat angles P-C4'-P energy: -13.114
tors. eta vs tors. theta energy: -21.706
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 381
Temperature: 1.050000
Total energy: -271.919616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.919616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.919616 (E_RNA)
where:
Base-Base interactions energy: -186.418
where: short stacking energy: -80.262
Base-Backbone interact. energy: -0.070
local terms energy: -85.431339
where:
bonds (distance) C4'-P energy: -13.762
bonds (distance) P-C4' energy: -15.916
flat angles C4'-P-C4' energy: -19.750
flat angles P-C4'-P energy: -11.579
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: 6
=====================================
Write number: 381
Temperature: 1.100000
Total energy: -258.165662 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.165662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.165662 (E_RNA)
where:
Base-Base interactions energy: -173.282
where: short stacking energy: -76.780
Base-Backbone interact. energy: 0.058
local terms energy: -84.941707
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -15.953
flat angles C4'-P-C4' energy: -17.414
flat angles P-C4'-P energy: -11.808
tors. eta vs tors. theta energy: -24.000
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 381
Temperature: 1.150000
Total energy: -255.480749 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.480749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.480749 (E_RNA)
where:
Base-Base interactions energy: -178.988
where: short stacking energy: -67.639
Base-Backbone interact. energy: -0.261
local terms energy: -76.232008
where:
bonds (distance) C4'-P energy: -17.082
bonds (distance) P-C4' energy: -14.667
flat angles C4'-P-C4' energy: -14.891
flat angles P-C4'-P energy: -11.769
tors. eta vs tors. theta energy: -17.823
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 381
Temperature: 1.200000
Total energy: -179.926302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.926302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.926302 (E_RNA)
where:
Base-Base interactions energy: -117.086
where: short stacking energy: -42.003
Base-Backbone interact. energy: -0.295
local terms energy: -62.545271
where:
bonds (distance) C4'-P energy: -15.997
bonds (distance) P-C4' energy: -14.428
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -10.723
tors. eta vs tors. theta energy: -7.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 381
Temperature: 1.250000
Total energy: -90.422102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.422102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.422102 (E_RNA)
where:
Base-Base interactions energy: -38.680
where: short stacking energy: -38.235
Base-Backbone interact. energy: 0.237
local terms energy: -51.979028
where:
bonds (distance) C4'-P energy: -17.736
bonds (distance) P-C4' energy: -15.476
flat angles C4'-P-C4' energy: -9.829
flat angles P-C4'-P energy: -7.121
tors. eta vs tors. theta energy: -1.818
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 381
Temperature: 1.300000
Total energy: -102.787261 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.787261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.787261 (E_RNA)
where:
Base-Base interactions energy: -40.275
where: short stacking energy: -32.450
Base-Backbone interact. energy: 0.099
local terms energy: -62.611389
where:
bonds (distance) C4'-P energy: -16.150
bonds (distance) P-C4' energy: -19.042
flat angles C4'-P-C4' energy: -12.244
flat angles P-C4'-P energy: -9.455
tors. eta vs tors. theta energy: -5.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 381
Temperature: 1.350000
Total energy: -118.879831 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -118.879831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -118.879831 (E_RNA)
where:
Base-Base interactions energy: -54.999
where: short stacking energy: -24.409
Base-Backbone interact. energy: -0.320
local terms energy: -63.560637
where:
bonds (distance) C4'-P energy: -16.886
bonds (distance) P-C4' energy: -17.162
flat angles C4'-P-C4' energy: -14.319
flat angles P-C4'-P energy: -9.787
tors. eta vs tors. theta energy: -5.407
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 382
Temperature: 0.900000
Total energy: -292.395045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.395045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.395045 (E_RNA)
where:
Base-Base interactions energy: -203.370
where: short stacking energy: -83.846
Base-Backbone interact. energy: -0.100
local terms energy: -88.924941
where:
bonds (distance) C4'-P energy: -17.666
bonds (distance) P-C4' energy: -15.874
flat angles C4'-P-C4' energy: -18.706
flat angles P-C4'-P energy: -10.511
tors. eta vs tors. theta energy: -26.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 382
Temperature: 0.950000
Total energy: -290.554583 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.554583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.554583 (E_RNA)
where:
Base-Base interactions energy: -202.162
where: short stacking energy: -86.780
Base-Backbone interact. energy: -0.945
local terms energy: -87.447219
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -13.245
flat angles C4'-P-C4' energy: -20.458
flat angles P-C4'-P energy: -15.408
tors. eta vs tors. theta energy: -25.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 382
Temperature: 1.000000
Total energy: -277.438792 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.438792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.438792 (E_RNA)
where:
Base-Base interactions energy: -186.900
where: short stacking energy: -75.615
Base-Backbone interact. energy: -0.091
local terms energy: -90.447508
where:
bonds (distance) C4'-P energy: -13.273
bonds (distance) P-C4' energy: -17.746
flat angles C4'-P-C4' energy: -17.649
flat angles P-C4'-P energy: -14.501
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: 8
=====================================
Write number: 382
Temperature: 1.050000
Total energy: -272.254973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.254973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.254973 (E_RNA)
where:
Base-Base interactions energy: -186.353
where: short stacking energy: -71.924
Base-Backbone interact. energy: -0.104
local terms energy: -85.798657
where:
bonds (distance) C4'-P energy: -19.103
bonds (distance) P-C4' energy: -16.022
flat angles C4'-P-C4' energy: -16.045
flat angles P-C4'-P energy: -10.838
tors. eta vs tors. theta energy: -23.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 382
Temperature: 1.100000
Total energy: -261.635086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.635086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.635086 (E_RNA)
where:
Base-Base interactions energy: -177.547
where: short stacking energy: -75.483
Base-Backbone interact. energy: -0.679
local terms energy: -83.409821
where:
bonds (distance) C4'-P energy: -20.183
bonds (distance) P-C4' energy: -13.635
flat angles C4'-P-C4' energy: -15.358
flat angles P-C4'-P energy: -14.667
tors. eta vs tors. theta energy: -19.566
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 382
Temperature: 1.150000
Total energy: -234.522196 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.522196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.522196 (E_RNA)
where:
Base-Base interactions energy: -162.141
where: short stacking energy: -69.357
Base-Backbone interact. energy: -0.141
local terms energy: -72.240014
where:
bonds (distance) C4'-P energy: -7.783
bonds (distance) P-C4' energy: -15.962
flat angles C4'-P-C4' energy: -18.468
flat angles P-C4'-P energy: -12.644
tors. eta vs tors. theta energy: -17.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 382
Temperature: 1.200000
Total energy: -197.775166 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.775166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.775166 (E_RNA)
where:
Base-Base interactions energy: -130.169
where: short stacking energy: -54.230
Base-Backbone interact. energy: 1.515
local terms energy: -69.120491
where:
bonds (distance) C4'-P energy: -18.028
bonds (distance) P-C4' energy: -14.009
flat angles C4'-P-C4' energy: -14.800
flat angles P-C4'-P energy: -10.911
tors. eta vs tors. theta energy: -11.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 382
Temperature: 1.250000
Total energy: -94.435943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.435943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.435943 (E_RNA)
where:
Base-Base interactions energy: -34.847
where: short stacking energy: -33.194
Base-Backbone interact. energy: -0.239
local terms energy: -59.349575
where:
bonds (distance) C4'-P energy: -12.163
bonds (distance) P-C4' energy: -17.094
flat angles C4'-P-C4' energy: -14.822
flat angles P-C4'-P energy: -11.601
tors. eta vs tors. theta energy: -3.670
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 382
Temperature: 1.300000
Total energy: -102.045061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.045061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.045061 (E_RNA)
where:
Base-Base interactions energy: -47.567
where: short stacking energy: -26.192
Base-Backbone interact. energy: 0.692
local terms energy: -55.169581
where:
bonds (distance) C4'-P energy: -13.571
bonds (distance) P-C4' energy: -18.244
flat angles C4'-P-C4' energy: -8.144
flat angles P-C4'-P energy: -10.175
tors. eta vs tors. theta energy: -5.035
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: 9
=====================================
Write number: 382
Temperature: 1.350000
Total energy: -82.575771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.575771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.575771 (E_RNA)
where:
Base-Base interactions energy: -31.355
where: short stacking energy: -31.355
Base-Backbone interact. energy: -0.281
local terms energy: -50.940065
where:
bonds (distance) C4'-P energy: -13.621
bonds (distance) P-C4' energy: -18.995
flat angles C4'-P-C4' energy: -12.606
flat angles P-C4'-P energy: -5.604
tors. eta vs tors. theta energy: -0.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 383
Temperature: 0.900000
Total energy: -285.121876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.121876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.121876 (E_RNA)
where:
Base-Base interactions energy: -196.884
where: short stacking energy: -80.530
Base-Backbone interact. energy: -0.234
local terms energy: -88.004296
where:
bonds (distance) C4'-P energy: -16.644
bonds (distance) P-C4' energy: -18.129
flat angles C4'-P-C4' energy: -15.248
flat angles P-C4'-P energy: -14.269
tors. eta vs tors. theta energy: -23.714
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 383
Temperature: 0.950000
Total energy: -280.994525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.994525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.994525 (E_RNA)
where:
Base-Base interactions energy: -191.161
where: short stacking energy: -82.559
Base-Backbone interact. energy: -1.120
local terms energy: -88.713435
where:
bonds (distance) C4'-P energy: -14.073
bonds (distance) P-C4' energy: -19.437
flat angles C4'-P-C4' energy: -17.308
flat angles P-C4'-P energy: -12.686
tors. eta vs tors. theta energy: -25.209
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: 3, replica: 3
=====================================
Write number: 383
Temperature: 1.000000
Total energy: -275.365979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.365979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.365979 (E_RNA)
where:
Base-Base interactions energy: -184.954
where: short stacking energy: -78.415
Base-Backbone interact. energy: -0.096
local terms energy: -90.315194
where:
bonds (distance) C4'-P energy: -17.968
bonds (distance) P-C4' energy: -20.265
flat angles C4'-P-C4' energy: -16.186
flat angles P-C4'-P energy: -9.892
tors. eta vs tors. theta energy: -26.004
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: 383
Temperature: 1.050000
Total energy: -275.418810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.418810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.418810 (E_RNA)
where:
Base-Base interactions energy: -185.799
where: short stacking energy: -79.400
Base-Backbone interact. energy: -1.756
local terms energy: -87.863730
where:
bonds (distance) C4'-P energy: -16.136
bonds (distance) P-C4' energy: -15.437
flat angles C4'-P-C4' energy: -21.001
flat angles P-C4'-P energy: -11.364
tors. eta vs tors. theta energy: -23.925
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 383
Temperature: 1.100000
Total energy: -273.131099 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.131099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.131099 (E_RNA)
where:
Base-Base interactions energy: -181.455
where: short stacking energy: -81.212
Base-Backbone interact. energy: -1.133
local terms energy: -90.542587
where:
bonds (distance) C4'-P energy: -19.724
bonds (distance) P-C4' energy: -14.088
flat angles C4'-P-C4' energy: -20.535
flat angles P-C4'-P energy: -9.955
tors. eta vs tors. theta energy: -26.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 383
Temperature: 1.150000
Total energy: -264.750500 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.750500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.750500 (E_RNA)
where:
Base-Base interactions energy: -178.788
where: short stacking energy: -67.570
Base-Backbone interact. energy: 0.242
local terms energy: -86.204889
where:
bonds (distance) C4'-P energy: -15.091
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -18.665
flat angles P-C4'-P energy: -10.780
tors. eta vs tors. theta energy: -24.093
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 383
Temperature: 1.200000
Total energy: -195.739173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.739173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.739173 (E_RNA)
where:
Base-Base interactions energy: -131.549
where: short stacking energy: -45.614
Base-Backbone interact. energy: -1.532
local terms energy: -62.658388
where:
bonds (distance) C4'-P energy: -12.002
bonds (distance) P-C4' energy: -16.665
flat angles C4'-P-C4' energy: -10.900
flat angles P-C4'-P energy: -8.008
tors. eta vs tors. theta energy: -15.083
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 383
Temperature: 1.250000
Total energy: -117.866149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.866149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.866149 (E_RNA)
where:
Base-Base interactions energy: -47.493
where: short stacking energy: -47.493
Base-Backbone interact. energy: -0.059
local terms energy: -70.314768
where:
bonds (distance) C4'-P energy: -18.379
bonds (distance) P-C4' energy: -16.124
flat angles C4'-P-C4' energy: -14.833
flat angles P-C4'-P energy: -7.764
tors. eta vs tors. theta energy: -13.215
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 383
Temperature: 1.300000
Total energy: -91.396019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.396019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.396019 (E_RNA)
where:
Base-Base interactions energy: -38.098
where: short stacking energy: -33.035
Base-Backbone interact. energy: -0.123
local terms energy: -53.175325
where:
bonds (distance) C4'-P energy: -11.250
bonds (distance) P-C4' energy: -14.319
flat angles C4'-P-C4' energy: -15.504
flat angles P-C4'-P energy: -7.727
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: 10, replica: 9
=====================================
Write number: 383
Temperature: 1.350000
Total energy: -99.359997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.359997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.359997 (E_RNA)
where:
Base-Base interactions energy: -40.958
where: short stacking energy: -27.631
Base-Backbone interact. energy: -0.104
local terms energy: -58.297519
where:
bonds (distance) C4'-P energy: -16.685
bonds (distance) P-C4' energy: -17.599
flat angles C4'-P-C4' energy: -13.159
flat angles P-C4'-P energy: -11.675
tors. eta vs tors. theta energy: 0.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 384
Temperature: 0.900000
Total energy: -289.620349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.620349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.620349 (E_RNA)
where:
Base-Base interactions energy: -202.488
where: short stacking energy: -74.924
Base-Backbone interact. energy: -0.082
local terms energy: -87.050311
where:
bonds (distance) C4'-P energy: -14.292
bonds (distance) P-C4' energy: -18.975
flat angles C4'-P-C4' energy: -17.632
flat angles P-C4'-P energy: -14.861
tors. eta vs tors. theta energy: -21.291
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 384
Temperature: 0.950000
Total energy: -285.453371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.453371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.453371 (E_RNA)
where:
Base-Base interactions energy: -193.891
where: short stacking energy: -82.030
Base-Backbone interact. energy: -0.007
local terms energy: -91.555494
where:
bonds (distance) C4'-P energy: -20.254
bonds (distance) P-C4' energy: -18.422
flat angles C4'-P-C4' energy: -18.126
flat angles P-C4'-P energy: -8.617
tors. eta vs tors. theta energy: -26.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 384
Temperature: 1.000000
Total energy: -275.266774 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.266774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.266774 (E_RNA)
where:
Base-Base interactions energy: -192.308
where: short stacking energy: -75.781
Base-Backbone interact. energy: -0.024
local terms energy: -82.934682
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -17.205
flat angles C4'-P-C4' energy: -14.976
flat angles P-C4'-P energy: -12.786
tors. eta vs tors. theta energy: -22.039
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: 3
=====================================
Write number: 384
Temperature: 1.050000
Total energy: -277.158025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.158025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.158025 (E_RNA)
where:
Base-Base interactions energy: -191.150
where: short stacking energy: -79.209
Base-Backbone interact. energy: -0.025
local terms energy: -85.982347
where:
bonds (distance) C4'-P energy: -17.630
bonds (distance) P-C4' energy: -16.170
flat angles C4'-P-C4' energy: -16.492
flat angles P-C4'-P energy: -11.494
tors. eta vs tors. theta energy: -24.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 384
Temperature: 1.100000
Total energy: -269.713758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.713758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.713758 (E_RNA)
where:
Base-Base interactions energy: -191.263
where: short stacking energy: -78.367
Base-Backbone interact. energy: -0.715
local terms energy: -77.735561
where:
bonds (distance) C4'-P energy: -17.849
bonds (distance) P-C4' energy: -13.013
flat angles C4'-P-C4' energy: -16.173
flat angles P-C4'-P energy: -9.033
tors. eta vs tors. theta energy: -21.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 384
Temperature: 1.150000
Total energy: -259.536005 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.536005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.536005 (E_RNA)
where:
Base-Base interactions energy: -171.177
where: short stacking energy: -74.653
Base-Backbone interact. energy: -0.280
local terms energy: -88.078381
where:
bonds (distance) C4'-P energy: -16.332
bonds (distance) P-C4' energy: -18.688
flat angles C4'-P-C4' energy: -17.005
flat angles P-C4'-P energy: -11.922
tors. eta vs tors. theta energy: -24.131
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 384
Temperature: 1.200000
Total energy: -213.164675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.164675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.164675 (E_RNA)
where:
Base-Base interactions energy: -143.403
where: short stacking energy: -63.488
Base-Backbone interact. energy: 0.386
local terms energy: -70.148009
where:
bonds (distance) C4'-P energy: -16.917
bonds (distance) P-C4' energy: -18.048
flat angles C4'-P-C4' energy: -16.051
flat angles P-C4'-P energy: -3.581
tors. eta vs tors. theta energy: -15.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 384
Temperature: 1.250000
Total energy: -97.967668 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.967668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.967668 (E_RNA)
where:
Base-Base interactions energy: -37.055
where: short stacking energy: -32.555
Base-Backbone interact. energy: -0.698
local terms energy: -60.214289
where:
bonds (distance) C4'-P energy: -13.527
bonds (distance) P-C4' energy: -16.287
flat angles C4'-P-C4' energy: -9.843
flat angles P-C4'-P energy: -13.422
tors. eta vs tors. theta energy: -7.135
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 384
Temperature: 1.300000
Total energy: -91.087819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.087819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.087819 (E_RNA)
where:
Base-Base interactions energy: -42.292
where: short stacking energy: -42.292
Base-Backbone interact. energy: -0.165
local terms energy: -48.631619
where:
bonds (distance) C4'-P energy: -10.799
bonds (distance) P-C4' energy: -11.456
flat angles C4'-P-C4' energy: -16.417
flat angles P-C4'-P energy: -9.693
tors. eta vs tors. theta energy: -0.267
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: 9
=====================================
Write number: 384
Temperature: 1.350000
Total energy: -87.194818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.194818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.194818 (E_RNA)
where:
Base-Base interactions energy: -23.536
where: short stacking energy: -23.536
Base-Backbone interact. energy: -0.318
local terms energy: -63.341520
where:
bonds (distance) C4'-P energy: -17.281
bonds (distance) P-C4' energy: -20.299
flat angles C4'-P-C4' energy: -13.693
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: 0.065
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 385
Temperature: 0.900000
Total energy: -290.362978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.362978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.362978 (E_RNA)
where:
Base-Base interactions energy: -197.511
where: short stacking energy: -83.811
Base-Backbone interact. energy: -0.012
local terms energy: -92.840270
where:
bonds (distance) C4'-P energy: -18.287
bonds (distance) P-C4' energy: -20.977
flat angles C4'-P-C4' energy: -19.753
flat angles P-C4'-P energy: -8.938
tors. eta vs tors. theta energy: -24.885
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 385
Temperature: 0.950000
Total energy: -284.522883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.522883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.522883 (E_RNA)
where:
Base-Base interactions energy: -188.440
where: short stacking energy: -78.697
Base-Backbone interact. energy: -1.011
local terms energy: -95.072772
where:
bonds (distance) C4'-P energy: -18.820
bonds (distance) P-C4' energy: -20.817
flat angles C4'-P-C4' energy: -16.861
flat angles P-C4'-P energy: -15.029
tors. eta vs tors. theta energy: -23.545
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: 7
=====================================
Write number: 385
Temperature: 1.000000
Total energy: -283.454605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.454605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.454605 (E_RNA)
where:
Base-Base interactions energy: -191.067
where: short stacking energy: -80.374
Base-Backbone interact. energy: -2.285
local terms energy: -90.102904
where:
bonds (distance) C4'-P energy: -21.487
bonds (distance) P-C4' energy: -17.527
flat angles C4'-P-C4' energy: -16.586
flat angles P-C4'-P energy: -12.002
tors. eta vs tors. theta energy: -22.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 385
Temperature: 1.050000
Total energy: -272.750663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.750663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.750663 (E_RNA)
where:
Base-Base interactions energy: -183.847
where: short stacking energy: -74.692
Base-Backbone interact. energy: 0.151
local terms energy: -89.054999
where:
bonds (distance) C4'-P energy: -16.172
bonds (distance) P-C4' energy: -19.552
flat angles C4'-P-C4' energy: -19.705
flat angles P-C4'-P energy: -12.132
tors. eta vs tors. theta energy: -21.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 385
Temperature: 1.100000
Total energy: -269.179942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.179942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.179942 (E_RNA)
where:
Base-Base interactions energy: -178.346
where: short stacking energy: -72.360
Base-Backbone interact. energy: -0.005
local terms energy: -90.829032
where:
bonds (distance) C4'-P energy: -12.471
bonds (distance) P-C4' energy: -20.641
flat angles C4'-P-C4' energy: -18.757
flat angles P-C4'-P energy: -14.331
tors. eta vs tors. theta energy: -24.630
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 385
Temperature: 1.150000
Total energy: -258.252769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.252769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.252769 (E_RNA)
where:
Base-Base interactions energy: -191.486
where: short stacking energy: -74.126
Base-Backbone interact. energy: -0.140
local terms energy: -66.626517
where:
bonds (distance) C4'-P energy: -15.104
bonds (distance) P-C4' energy: -16.619
flat angles C4'-P-C4' energy: -8.036
flat angles P-C4'-P energy: -9.622
tors. eta vs tors. theta energy: -17.246
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: 2
=====================================
Write number: 385
Temperature: 1.200000
Total energy: -236.191618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.191618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.191618 (E_RNA)
where:
Base-Base interactions energy: -153.972
where: short stacking energy: -63.598
Base-Backbone interact. energy: -0.054
local terms energy: -82.165465
where:
bonds (distance) C4'-P energy: -14.173
bonds (distance) P-C4' energy: -17.594
flat angles C4'-P-C4' energy: -16.168
flat angles P-C4'-P energy: -12.309
tors. eta vs tors. theta energy: -21.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 385
Temperature: 1.250000
Total energy: -116.281316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -116.281316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -116.281316 (E_RNA)
where:
Base-Base interactions energy: -47.599
where: short stacking energy: -47.500
Base-Backbone interact. energy: -0.094
local terms energy: -68.588534
where:
bonds (distance) C4'-P energy: -15.974
bonds (distance) P-C4' energy: -15.108
flat angles C4'-P-C4' energy: -14.804
flat angles P-C4'-P energy: -11.244
tors. eta vs tors. theta energy: -11.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 385
Temperature: 1.300000
Total energy: -82.519909 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.519909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.519909 (E_RNA)
where:
Base-Base interactions energy: -25.441
where: short stacking energy: -25.027
Base-Backbone interact. energy: -0.288
local terms energy: -56.791173
where:
bonds (distance) C4'-P energy: -18.610
bonds (distance) P-C4' energy: -20.637
flat angles C4'-P-C4' energy: -14.207
flat angles P-C4'-P energy: -7.067
tors. eta vs tors. theta energy: 3.730
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 385
Temperature: 1.350000
Total energy: -97.979641 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.979641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.979641 (E_RNA)
where:
Base-Base interactions energy: -48.130
where: short stacking energy: -31.320
Base-Backbone interact. energy: 0.265
local terms energy: -50.114060
where:
bonds (distance) C4'-P energy: -8.501
bonds (distance) P-C4' energy: -15.411
flat angles C4'-P-C4' energy: -14.750
flat angles P-C4'-P energy: -4.850
tors. eta vs tors. theta energy: -6.602
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 386
Temperature: 0.900000
Total energy: -291.234191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.234191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.234191 (E_RNA)
where:
Base-Base interactions energy: -197.798
where: short stacking energy: -81.706
Base-Backbone interact. energy: -0.113
local terms energy: -93.323249
where:
bonds (distance) C4'-P energy: -17.044
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -19.260
flat angles P-C4'-P energy: -11.672
tors. eta vs tors. theta energy: -27.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 386
Temperature: 0.950000
Total energy: -286.019615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.019615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.019615 (E_RNA)
where:
Base-Base interactions energy: -192.893
where: short stacking energy: -83.546
Base-Backbone interact. energy: -0.045
local terms energy: -93.081811
where:
bonds (distance) C4'-P energy: -17.712
bonds (distance) P-C4' energy: -20.533
flat angles C4'-P-C4' energy: -18.736
flat angles P-C4'-P energy: -9.773
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: 3, replica: 7
=====================================
Write number: 386
Temperature: 1.000000
Total energy: -282.393036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.393036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.393036 (E_RNA)
where:
Base-Base interactions energy: -188.791
where: short stacking energy: -77.632
Base-Backbone interact. energy: -0.254
local terms energy: -93.347963
where:
bonds (distance) C4'-P energy: -15.840
bonds (distance) P-C4' energy: -21.346
flat angles C4'-P-C4' energy: -17.413
flat angles P-C4'-P energy: -14.587
tors. eta vs tors. theta energy: -24.162
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 386
Temperature: 1.050000
Total energy: -271.750331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.750331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.750331 (E_RNA)
where:
Base-Base interactions energy: -191.504
where: short stacking energy: -79.361
Base-Backbone interact. energy: -0.017
local terms energy: -80.229997
where:
bonds (distance) C4'-P energy: -12.341
bonds (distance) P-C4' energy: -17.959
flat angles C4'-P-C4' energy: -16.236
flat angles P-C4'-P energy: -8.643
tors. eta vs tors. theta energy: -25.051
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: 3
=====================================
Write number: 386
Temperature: 1.100000
Total energy: -268.824986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.824986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.824986 (E_RNA)
where:
Base-Base interactions energy: -193.502
where: short stacking energy: -78.710
Base-Backbone interact. energy: -0.376
local terms energy: -74.947003
where:
bonds (distance) C4'-P energy: -15.895
bonds (distance) P-C4' energy: -9.116
flat angles C4'-P-C4' energy: -18.031
flat angles P-C4'-P energy: -7.473
tors. eta vs tors. theta energy: -24.432
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: 6, replica: 6
=====================================
Write number: 386
Temperature: 1.150000
Total energy: -257.840464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.840464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.840464 (E_RNA)
where:
Base-Base interactions energy: -178.071
where: short stacking energy: -80.518
Base-Backbone interact. energy: 0.717
local terms energy: -80.486632
where:
bonds (distance) C4'-P energy: -13.614
bonds (distance) P-C4' energy: -13.013
flat angles C4'-P-C4' energy: -17.482
flat angles P-C4'-P energy: -11.452
tors. eta vs tors. theta energy: -24.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 386
Temperature: 1.200000
Total energy: -98.861624 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.861624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.861624 (E_RNA)
where:
Base-Base interactions energy: -38.997
where: short stacking energy: -31.372
Base-Backbone interact. energy: -0.265
local terms energy: -59.599768
where:
bonds (distance) C4'-P energy: -16.678
bonds (distance) P-C4' energy: -9.909
flat angles C4'-P-C4' energy: -18.288
flat angles P-C4'-P energy: -7.112
tors. eta vs tors. theta energy: -7.613
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 386
Temperature: 1.250000
Total energy: -205.135457 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.135457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.135457 (E_RNA)
where:
Base-Base interactions energy: -140.971
where: short stacking energy: -52.546
Base-Backbone interact. energy: -0.737
local terms energy: -63.426567
where:
bonds (distance) C4'-P energy: -14.954
bonds (distance) P-C4' energy: -11.808
flat angles C4'-P-C4' energy: -13.854
flat angles P-C4'-P energy: -15.621
tors. eta vs tors. theta energy: -7.189
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: 9
=====================================
Write number: 386
Temperature: 1.300000
Total energy: -106.872219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.872219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.872219 (E_RNA)
where:
Base-Base interactions energy: -43.386
where: short stacking energy: -30.831
Base-Backbone interact. energy: -0.265
local terms energy: -63.221610
where:
bonds (distance) C4'-P energy: -18.547
bonds (distance) P-C4' energy: -16.903
flat angles C4'-P-C4' energy: -11.528
flat angles P-C4'-P energy: -10.740
tors. eta vs tors. theta energy: -5.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 386
Temperature: 1.350000
Total energy: -97.901155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.901155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.901155 (E_RNA)
where:
Base-Base interactions energy: -45.959
where: short stacking energy: -28.146
Base-Backbone interact. energy: 1.799
local terms energy: -53.740680
where:
bonds (distance) C4'-P energy: -11.221
bonds (distance) P-C4' energy: -15.367
flat angles C4'-P-C4' energy: -17.176
flat angles P-C4'-P energy: -8.934
tors. eta vs tors. theta energy: -1.043
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 387
Temperature: 0.900000
Total energy: -291.651000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.651000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.651000 (E_RNA)
where:
Base-Base interactions energy: -200.390
where: short stacking energy: -81.574
Base-Backbone interact. energy: 0.669
local terms energy: -91.930263
where:
bonds (distance) C4'-P energy: -16.718
bonds (distance) P-C4' energy: -18.173
flat angles C4'-P-C4' energy: -17.805
flat angles P-C4'-P energy: -12.368
tors. eta vs tors. theta energy: -26.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 387
Temperature: 0.950000
Total energy: -284.797108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.797108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.797108 (E_RNA)
where:
Base-Base interactions energy: -193.599
where: short stacking energy: -80.075
Base-Backbone interact. energy: -1.010
local terms energy: -90.188031
where:
bonds (distance) C4'-P energy: -16.705
bonds (distance) P-C4' energy: -17.821
flat angles C4'-P-C4' energy: -17.747
flat angles P-C4'-P energy: -12.849
tors. eta vs tors. theta energy: -25.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 387
Temperature: 1.000000
Total energy: -279.414879 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.414879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.414879 (E_RNA)
where:
Base-Base interactions energy: -186.219
where: short stacking energy: -81.468
Base-Backbone interact. energy: -1.481
local terms energy: -91.714870
where:
bonds (distance) C4'-P energy: -15.452
bonds (distance) P-C4' energy: -18.755
flat angles C4'-P-C4' energy: -21.086
flat angles P-C4'-P energy: -10.897
tors. eta vs tors. theta energy: -25.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 387
Temperature: 1.050000
Total energy: -273.524053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.524053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.524053 (E_RNA)
where:
Base-Base interactions energy: -180.333
where: short stacking energy: -70.839
Base-Backbone interact. energy: -0.268
local terms energy: -92.923352
where:
bonds (distance) C4'-P energy: -19.293
bonds (distance) P-C4' energy: -19.669
flat angles C4'-P-C4' energy: -18.272
flat angles P-C4'-P energy: -13.398
tors. eta vs tors. theta energy: -22.291
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: 10
=====================================
Write number: 387
Temperature: 1.100000
Total energy: -266.454424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.454424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.454424 (E_RNA)
where:
Base-Base interactions energy: -176.564
where: short stacking energy: -76.256
Base-Backbone interact. energy: -1.016
local terms energy: -88.873821
where:
bonds (distance) C4'-P energy: -18.403
bonds (distance) P-C4' energy: -21.032
flat angles C4'-P-C4' energy: -15.381
flat angles P-C4'-P energy: -11.304
tors. eta vs tors. theta energy: -22.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 387
Temperature: 1.150000
Total energy: -267.401015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.401015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.401015 (E_RNA)
where:
Base-Base interactions energy: -184.272
where: short stacking energy: -67.627
Base-Backbone interact. energy: -1.274
local terms energy: -81.854808
where:
bonds (distance) C4'-P energy: -16.963
bonds (distance) P-C4' energy: -17.339
flat angles C4'-P-C4' energy: -16.630
flat angles P-C4'-P energy: -13.134
tors. eta vs tors. theta energy: -17.790
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: 4
=====================================
Write number: 387
Temperature: 1.200000
Total energy: -128.840111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.840111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.840111 (E_RNA)
where:
Base-Base interactions energy: -69.118
where: short stacking energy: -19.536
Base-Backbone interact. energy: 0.924
local terms energy: -60.645366
where:
bonds (distance) C4'-P energy: -17.447
bonds (distance) P-C4' energy: -14.986
flat angles C4'-P-C4' energy: -16.119
flat angles P-C4'-P energy: -13.112
tors. eta vs tors. theta energy: 1.018
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 387
Temperature: 1.250000
Total energy: -205.343028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.343028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.343028 (E_RNA)
where:
Base-Base interactions energy: -134.524
where: short stacking energy: -57.934
Base-Backbone interact. energy: -0.974
local terms energy: -69.844579
where:
bonds (distance) C4'-P energy: -14.991
bonds (distance) P-C4' energy: -16.895
flat angles C4'-P-C4' energy: -19.393
flat angles P-C4'-P energy: -5.755
tors. eta vs tors. theta energy: -12.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 387
Temperature: 1.300000
Total energy: -100.813632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.813632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.813632 (E_RNA)
where:
Base-Base interactions energy: -41.278
where: short stacking energy: -37.604
Base-Backbone interact. energy: -0.699
local terms energy: -58.835855
where:
bonds (distance) C4'-P energy: -19.302
bonds (distance) P-C4' energy: -17.386
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -4.908
tors. eta vs tors. theta energy: -1.753
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 387
Temperature: 1.350000
Total energy: -88.305070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.305070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.305070 (E_RNA)
where:
Base-Base interactions energy: -30.974
where: short stacking energy: -30.974
Base-Backbone interact. energy: 0.991
local terms energy: -58.322067
where:
bonds (distance) C4'-P energy: -17.293
bonds (distance) P-C4' energy: -14.439
flat angles C4'-P-C4' energy: -13.217
flat angles P-C4'-P energy: -5.918
tors. eta vs tors. theta energy: -7.456
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 388
Temperature: 0.900000
Total energy: -283.835448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.835448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.835448 (E_RNA)
where:
Base-Base interactions energy: -195.257
where: short stacking energy: -71.564
Base-Backbone interact. energy: -0.032
local terms energy: -88.546814
where:
bonds (distance) C4'-P energy: -17.165
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -18.969
flat angles P-C4'-P energy: -13.496
tors. eta vs tors. theta energy: -23.066
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 388
Temperature: 0.950000
Total energy: -288.408821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.408821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.408821 (E_RNA)
where:
Base-Base interactions energy: -192.846
where: short stacking energy: -72.493
Base-Backbone interact. energy: -0.238
local terms energy: -95.324357
where:
bonds (distance) C4'-P energy: -20.730
bonds (distance) P-C4' energy: -17.737
flat angles C4'-P-C4' energy: -19.229
flat angles P-C4'-P energy: -16.770
tors. eta vs tors. theta energy: -20.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 388
Temperature: 1.000000
Total energy: -282.343440 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.343440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.343440 (E_RNA)
where:
Base-Base interactions energy: -191.103
where: short stacking energy: -72.962
Base-Backbone interact. energy: -1.985
local terms energy: -89.256087
where:
bonds (distance) C4'-P energy: -19.195
bonds (distance) P-C4' energy: -19.367
flat angles C4'-P-C4' energy: -19.989
flat angles P-C4'-P energy: -8.642
tors. eta vs tors. theta energy: -22.063
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 388
Temperature: 1.050000
Total energy: -274.498786 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.498786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.498786 (E_RNA)
where:
Base-Base interactions energy: -188.477
where: short stacking energy: -72.956
Base-Backbone interact. energy: -0.188
local terms energy: -85.832996
where:
bonds (distance) C4'-P energy: -15.260
bonds (distance) P-C4' energy: -17.687
flat angles C4'-P-C4' energy: -19.909
flat angles P-C4'-P energy: -10.122
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: 5, replica: 6
=====================================
Write number: 388
Temperature: 1.100000
Total energy: -270.394742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.394742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.394742 (E_RNA)
where:
Base-Base interactions energy: -180.152
where: short stacking energy: -68.152
Base-Backbone interact. energy: -1.186
local terms energy: -89.056749
where:
bonds (distance) C4'-P energy: -16.085
bonds (distance) P-C4' energy: -18.388
flat angles C4'-P-C4' energy: -20.768
flat angles P-C4'-P energy: -13.026
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: 6, replica: 10
=====================================
Write number: 388
Temperature: 1.150000
Total energy: -268.540234 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.540234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.540234 (E_RNA)
where:
Base-Base interactions energy: -184.008
where: short stacking energy: -74.812
Base-Backbone interact. energy: -0.006
local terms energy: -84.525851
where:
bonds (distance) C4'-P energy: -13.675
bonds (distance) P-C4' energy: -16.353
flat angles C4'-P-C4' energy: -18.592
flat angles P-C4'-P energy: -13.215
tors. eta vs tors. theta energy: -22.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 388
Temperature: 1.200000
Total energy: -193.392090 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -193.392090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -193.392090 (E_RNA)
where:
Base-Base interactions energy: -122.932
where: short stacking energy: -54.585
Base-Backbone interact. energy: -0.208
local terms energy: -70.252381
where:
bonds (distance) C4'-P energy: -19.960
bonds (distance) P-C4' energy: -17.972
flat angles C4'-P-C4' energy: -13.044
flat angles P-C4'-P energy: -7.665
tors. eta vs tors. theta energy: -11.611
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 388
Temperature: 1.250000
Total energy: -148.734137 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.734137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.734137 (E_RNA)
where:
Base-Base interactions energy: -86.853
where: short stacking energy: -39.962
Base-Backbone interact. energy: -0.545
local terms energy: -61.336483
where:
bonds (distance) C4'-P energy: -18.113
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -13.245
flat angles P-C4'-P energy: -8.567
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: 9, replica: 1
=====================================
Write number: 388
Temperature: 1.300000
Total energy: -95.544600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.544600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.544600 (E_RNA)
where:
Base-Base interactions energy: -34.299
where: short stacking energy: -29.000
Base-Backbone interact. energy: 1.217
local terms energy: -62.462723
where:
bonds (distance) C4'-P energy: -12.855
bonds (distance) P-C4' energy: -18.637
flat angles C4'-P-C4' energy: -14.193
flat angles P-C4'-P energy: -10.518
tors. eta vs tors. theta energy: -6.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 388
Temperature: 1.350000
Total energy: -109.278674 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.278674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.278674 (E_RNA)
where:
Base-Base interactions energy: -48.514
where: short stacking energy: -31.800
Base-Backbone interact. energy: -0.949
local terms energy: -59.815738
where:
bonds (distance) C4'-P energy: -10.844
bonds (distance) P-C4' energy: -15.978
flat angles C4'-P-C4' energy: -18.087
flat angles P-C4'-P energy: -8.829
tors. eta vs tors. theta energy: -6.079
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 389
Temperature: 0.900000
Total energy: -299.391303 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.391303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.391303 (E_RNA)
where:
Base-Base interactions energy: -206.230
where: short stacking energy: -89.489
Base-Backbone interact. energy: -0.001
local terms energy: -93.160039
where:
bonds (distance) C4'-P energy: -15.212
bonds (distance) P-C4' energy: -17.025
flat angles C4'-P-C4' energy: -21.695
flat angles P-C4'-P energy: -13.708
tors. eta vs tors. theta energy: -25.520
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 389
Temperature: 0.950000
Total energy: -278.661876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.661876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.661876 (E_RNA)
where:
Base-Base interactions energy: -191.064
where: short stacking energy: -76.900
Base-Backbone interact. energy: 0.507
local terms energy: -88.104800
where:
bonds (distance) C4'-P energy: -13.982
bonds (distance) P-C4' energy: -15.996
flat angles C4'-P-C4' energy: -20.886
flat angles P-C4'-P energy: -11.936
tors. eta vs tors. theta energy: -25.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 389
Temperature: 1.000000
Total energy: -280.393035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.393035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.393035 (E_RNA)
where:
Base-Base interactions energy: -190.940
where: short stacking energy: -77.221
Base-Backbone interact. energy: -1.050
local terms energy: -88.402514
where:
bonds (distance) C4'-P energy: -17.251
bonds (distance) P-C4' energy: -20.032
flat angles C4'-P-C4' energy: -17.389
flat angles P-C4'-P energy: -9.768
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: 4, replica: 3
=====================================
Write number: 389
Temperature: 1.050000
Total energy: -271.515505 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.515505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.515505 (E_RNA)
where:
Base-Base interactions energy: -185.162
where: short stacking energy: -67.657
Base-Backbone interact. energy: -0.578
local terms energy: -85.776093
where:
bonds (distance) C4'-P energy: -19.375
bonds (distance) P-C4' energy: -14.774
flat angles C4'-P-C4' energy: -17.989
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: -22.039
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: 6
=====================================
Write number: 389
Temperature: 1.100000
Total energy: -272.752600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.752600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.752600 (E_RNA)
where:
Base-Base interactions energy: -194.467
where: short stacking energy: -74.724
Base-Backbone interact. energy: -0.012
local terms energy: -78.273268
where:
bonds (distance) C4'-P energy: -12.794
bonds (distance) P-C4' energy: -10.393
flat angles C4'-P-C4' energy: -19.215
flat angles P-C4'-P energy: -15.533
tors. eta vs tors. theta energy: -20.338
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: 10
=====================================
Write number: 389
Temperature: 1.150000
Total energy: -225.735634 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.735634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.735634 (E_RNA)
where:
Base-Base interactions energy: -151.285
where: short stacking energy: -58.562
Base-Backbone interact. energy: -0.177
local terms energy: -74.273169
where:
bonds (distance) C4'-P energy: -16.275
bonds (distance) P-C4' energy: -18.333
flat angles C4'-P-C4' energy: -16.369
flat angles P-C4'-P energy: -8.089
tors. eta vs tors. theta energy: -15.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 389
Temperature: 1.200000
Total energy: -175.771230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.771230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.771230 (E_RNA)
where:
Base-Base interactions energy: -108.750
where: short stacking energy: -44.178
Base-Backbone interact. energy: -0.020
local terms energy: -67.001105
where:
bonds (distance) C4'-P energy: -17.012
bonds (distance) P-C4' energy: -13.820
flat angles C4'-P-C4' energy: -15.127
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -11.673
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: 4
=====================================
Write number: 389
Temperature: 1.250000
Total energy: -136.175927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -136.175927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -136.175927 (E_RNA)
where:
Base-Base interactions energy: -75.226
where: short stacking energy: -29.292
Base-Backbone interact. energy: -0.259
local terms energy: -60.690108
where:
bonds (distance) C4'-P energy: -13.780
bonds (distance) P-C4' energy: -17.114
flat angles C4'-P-C4' energy: -14.713
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -4.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 389
Temperature: 1.300000
Total energy: -95.818648 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.818648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.818648 (E_RNA)
where:
Base-Base interactions energy: -38.230
where: short stacking energy: -35.883
Base-Backbone interact. energy: -0.109
local terms energy: -57.480056
where:
bonds (distance) C4'-P energy: -16.835
bonds (distance) P-C4' energy: -17.275
flat angles C4'-P-C4' energy: -7.732
flat angles P-C4'-P energy: -10.596
tors. eta vs tors. theta energy: -5.042
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 389
Temperature: 1.350000
Total energy: -90.887535 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.887535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.887535 (E_RNA)
where:
Base-Base interactions energy: -37.879
where: short stacking energy: -35.847
Base-Backbone interact. energy: -0.481
local terms energy: -52.526965
where:
bonds (distance) C4'-P energy: -8.508
bonds (distance) P-C4' energy: -16.201
flat angles C4'-P-C4' energy: -18.479
flat angles P-C4'-P energy: -10.972
tors. eta vs tors. theta energy: 1.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 390
Temperature: 0.900000
Total energy: -295.463690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.463690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.463690 (E_RNA)
where:
Base-Base interactions energy: -203.308
where: short stacking energy: -83.125
Base-Backbone interact. energy: -0.784
local terms energy: -91.372053
where:
bonds (distance) C4'-P energy: -14.469
bonds (distance) P-C4' energy: -17.203
flat angles C4'-P-C4' energy: -19.042
flat angles P-C4'-P energy: -15.417
tors. eta vs tors. theta energy: -25.241
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 390
Temperature: 0.950000
Total energy: -273.902516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.902516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.902516 (E_RNA)
where:
Base-Base interactions energy: -194.729
where: short stacking energy: -73.137
Base-Backbone interact. energy: -0.172
local terms energy: -79.001283
where:
bonds (distance) C4'-P energy: -12.033
bonds (distance) P-C4' energy: -13.843
flat angles C4'-P-C4' energy: -19.327
flat angles P-C4'-P energy: -10.908
tors. eta vs tors. theta energy: -22.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 390
Temperature: 1.000000
Total energy: -286.950712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.950712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.950712 (E_RNA)
where:
Base-Base interactions energy: -192.170
where: short stacking energy: -86.725
Base-Backbone interact. energy: -0.759
local terms energy: -94.021055
where:
bonds (distance) C4'-P energy: -19.207
bonds (distance) P-C4' energy: -18.193
flat angles C4'-P-C4' energy: -19.203
flat angles P-C4'-P energy: -14.794
tors. eta vs tors. theta energy: -22.625
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: 390
Temperature: 1.050000
Total energy: -271.726979 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.726979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.726979 (E_RNA)
where:
Base-Base interactions energy: -190.506
where: short stacking energy: -72.013
Base-Backbone interact. energy: -0.001
local terms energy: -81.219847
where:
bonds (distance) C4'-P energy: -11.775
bonds (distance) P-C4' energy: -15.748
flat angles C4'-P-C4' energy: -17.680
flat angles P-C4'-P energy: -12.879
tors. eta vs tors. theta energy: -23.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 390
Temperature: 1.100000
Total energy: -262.638437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.638437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.638437 (E_RNA)
where:
Base-Base interactions energy: -182.854
where: short stacking energy: -76.264
Base-Backbone interact. energy: 0.643
local terms energy: -80.426879
where:
bonds (distance) C4'-P energy: -18.445
bonds (distance) P-C4' energy: -12.242
flat angles C4'-P-C4' energy: -17.638
flat angles P-C4'-P energy: -10.200
tors. eta vs tors. theta energy: -21.901
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: 6, replica: 10
=====================================
Write number: 390
Temperature: 1.150000
Total energy: -266.995271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.995271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.995271 (E_RNA)
where:
Base-Base interactions energy: -185.267
where: short stacking energy: -80.110
Base-Backbone interact. energy: -0.553
local terms energy: -81.174523
where:
bonds (distance) C4'-P energy: -15.948
bonds (distance) P-C4' energy: -14.476
flat angles C4'-P-C4' energy: -17.263
flat angles P-C4'-P energy: -11.373
tors. eta vs tors. theta energy: -22.114
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 390
Temperature: 1.200000
Total energy: -173.341864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.341864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.341864 (E_RNA)
where:
Base-Base interactions energy: -99.106
where: short stacking energy: -47.720
Base-Backbone interact. energy: 0.256
local terms energy: -74.492562
where:
bonds (distance) C4'-P energy: -18.334
bonds (distance) P-C4' energy: -18.714
flat angles C4'-P-C4' energy: -15.375
flat angles P-C4'-P energy: -11.019
tors. eta vs tors. theta energy: -11.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 390
Temperature: 1.250000
Total energy: -137.744950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -137.744950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -137.744950 (E_RNA)
where:
Base-Base interactions energy: -72.308
where: short stacking energy: -31.162
Base-Backbone interact. energy: 0.670
local terms energy: -66.106699
where:
bonds (distance) C4'-P energy: -19.392
bonds (distance) P-C4' energy: -19.117
flat angles C4'-P-C4' energy: -15.647
flat angles P-C4'-P energy: -12.377
tors. eta vs tors. theta energy: 0.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 390
Temperature: 1.300000
Total energy: -95.830434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.830434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.830434 (E_RNA)
where:
Base-Base interactions energy: -36.846
where: short stacking energy: -30.756
Base-Backbone interact. energy: 0.935
local terms energy: -59.919030
where:
bonds (distance) C4'-P energy: -16.949
bonds (distance) P-C4' energy: -16.346
flat angles C4'-P-C4' energy: -13.123
flat angles P-C4'-P energy: -11.172
tors. eta vs tors. theta energy: -2.329
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 390
Temperature: 1.350000
Total energy: -88.181185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.181185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.181185 (E_RNA)
where:
Base-Base interactions energy: -29.649
where: short stacking energy: -24.930
Base-Backbone interact. energy: 0.337
local terms energy: -58.868928
where:
bonds (distance) C4'-P energy: -15.042
bonds (distance) P-C4' energy: -15.230
flat angles C4'-P-C4' energy: -15.536
flat angles P-C4'-P energy: -10.283
tors. eta vs tors. theta energy: -2.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 391
Temperature: 0.900000
Total energy: -285.830145 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.830145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.830145 (E_RNA)
where:
Base-Base interactions energy: -195.152
where: short stacking energy: -81.228
Base-Backbone interact. energy: -0.471
local terms energy: -90.206769
where:
bonds (distance) C4'-P energy: -18.395
bonds (distance) P-C4' energy: -18.562
flat angles C4'-P-C4' energy: -15.860
flat angles P-C4'-P energy: -12.847
tors. eta vs tors. theta energy: -24.542
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 391
Temperature: 0.950000
Total energy: -285.936374 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.936374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.936374 (E_RNA)
where:
Base-Base interactions energy: -188.527
where: short stacking energy: -80.659
Base-Backbone interact. energy: -0.003
local terms energy: -97.405729
where:
bonds (distance) C4'-P energy: -19.116
bonds (distance) P-C4' energy: -18.766
flat angles C4'-P-C4' energy: -19.412
flat angles P-C4'-P energy: -14.886
tors. eta vs tors. theta energy: -25.226
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: 3, replica: 8
=====================================
Write number: 391
Temperature: 1.000000
Total energy: -286.958950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.958950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.958950 (E_RNA)
where:
Base-Base interactions energy: -195.172
where: short stacking energy: -72.359
Base-Backbone interact. energy: -0.151
local terms energy: -91.636075
where:
bonds (distance) C4'-P energy: -17.521
bonds (distance) P-C4' energy: -19.383
flat angles C4'-P-C4' energy: -17.867
flat angles P-C4'-P energy: -13.674
tors. eta vs tors. theta energy: -23.192
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 391
Temperature: 1.050000
Total energy: -270.814410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.814410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.814410 (E_RNA)
where:
Base-Base interactions energy: -190.583
where: short stacking energy: -72.254
Base-Backbone interact. energy: -0.549
local terms energy: -79.682037
where:
bonds (distance) C4'-P energy: -17.738
bonds (distance) P-C4' energy: -16.176
flat angles C4'-P-C4' energy: -15.096
flat angles P-C4'-P energy: -12.853
tors. eta vs tors. theta energy: -17.819
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 391
Temperature: 1.100000
Total energy: -276.447710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.447710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.447710 (E_RNA)
where:
Base-Base interactions energy: -185.910
where: short stacking energy: -81.903
Base-Backbone interact. energy: 0.222
local terms energy: -90.759650
where:
bonds (distance) C4'-P energy: -18.486
bonds (distance) P-C4' energy: -15.621
flat angles C4'-P-C4' energy: -15.552
flat angles P-C4'-P energy: -16.027
tors. eta vs tors. theta energy: -25.073
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 391
Temperature: 1.150000
Total energy: -258.626572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.626572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.626572 (E_RNA)
where:
Base-Base interactions energy: -175.041
where: short stacking energy: -66.150
Base-Backbone interact. energy: -0.106
local terms energy: -83.479782
where:
bonds (distance) C4'-P energy: -16.507
bonds (distance) P-C4' energy: -18.211
flat angles C4'-P-C4' energy: -18.226
flat angles P-C4'-P energy: -7.582
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: 7, replica: 2
=====================================
Write number: 391
Temperature: 1.200000
Total energy: -170.884338 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.884338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.884338 (E_RNA)
where:
Base-Base interactions energy: -116.457
where: short stacking energy: -46.570
Base-Backbone interact. energy: -1.564
local terms energy: -52.862666
where:
bonds (distance) C4'-P energy: -15.285
bonds (distance) P-C4' energy: -12.766
flat angles C4'-P-C4' energy: -10.299
flat angles P-C4'-P energy: -8.372
tors. eta vs tors. theta energy: -6.140
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: 9
=====================================
Write number: 391
Temperature: 1.250000
Total energy: -94.910875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.910875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.910875 (E_RNA)
where:
Base-Base interactions energy: -38.159
where: short stacking energy: -30.467
Base-Backbone interact. energy: -0.140
local terms energy: -56.612008
where:
bonds (distance) C4'-P energy: -16.819
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -10.576
flat angles P-C4'-P energy: -10.912
tors. eta vs tors. theta energy: -1.525
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 391
Temperature: 1.300000
Total energy: -110.261092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -110.261092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -110.261092 (E_RNA)
where:
Base-Base interactions energy: -37.701
where: short stacking energy: -32.355
Base-Backbone interact. energy: 0.664
local terms energy: -73.223942
where:
bonds (distance) C4'-P energy: -19.604
bonds (distance) P-C4' energy: -18.792
flat angles C4'-P-C4' energy: -16.253
flat angles P-C4'-P energy: -7.474
tors. eta vs tors. theta energy: -11.101
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: 10, replica: 1
=====================================
Write number: 391
Temperature: 1.350000
Total energy: -95.423269 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.423269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.423269 (E_RNA)
where:
Base-Base interactions energy: -30.157
where: short stacking energy: -30.157
Base-Backbone interact. energy: -0.072
local terms energy: -65.194194
where:
bonds (distance) C4'-P energy: -19.761
bonds (distance) P-C4' energy: -15.781
flat angles C4'-P-C4' energy: -11.137
flat angles P-C4'-P energy: -14.013
tors. eta vs tors. theta energy: -4.503
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: 5
=====================================
Write number: 392
Temperature: 0.900000
Total energy: -285.091783 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.091783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.091783 (E_RNA)
where:
Base-Base interactions energy: -190.945
where: short stacking energy: -78.174
Base-Backbone interact. energy: -0.036
local terms energy: -94.109922
where:
bonds (distance) C4'-P energy: -20.368
bonds (distance) P-C4' energy: -19.768
flat angles C4'-P-C4' energy: -19.030
flat angles P-C4'-P energy: -13.282
tors. eta vs tors. theta energy: -21.662
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 392
Temperature: 0.950000
Total energy: -277.571033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.571033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.571033 (E_RNA)
where:
Base-Base interactions energy: -186.107
where: short stacking energy: -69.992
Base-Backbone interact. energy: -0.628
local terms energy: -90.836080
where:
bonds (distance) C4'-P energy: -17.269
bonds (distance) P-C4' energy: -21.762
flat angles C4'-P-C4' energy: -20.658
flat angles P-C4'-P energy: -9.766
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: 3, replica: 6
=====================================
Write number: 392
Temperature: 1.000000
Total energy: -282.029559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.029559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.029559 (E_RNA)
where:
Base-Base interactions energy: -194.591
where: short stacking energy: -84.083
Base-Backbone interact. energy: -0.298
local terms energy: -87.141316
where:
bonds (distance) C4'-P energy: -16.672
bonds (distance) P-C4' energy: -17.142
flat angles C4'-P-C4' energy: -15.815
flat angles P-C4'-P energy: -10.721
tors. eta vs tors. theta energy: -26.790
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: 8
=====================================
Write number: 392
Temperature: 1.050000
Total energy: -272.499033 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.499033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.499033 (E_RNA)
where:
Base-Base interactions energy: -193.714
where: short stacking energy: -68.778
Base-Backbone interact. energy: -0.296
local terms energy: -78.489616
where:
bonds (distance) C4'-P energy: -16.974
bonds (distance) P-C4' energy: -17.920
flat angles C4'-P-C4' energy: -15.239
flat angles P-C4'-P energy: -10.018
tors. eta vs tors. theta energy: -18.338
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: 10
=====================================
Write number: 392
Temperature: 1.100000
Total energy: -272.179773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.179773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.179773 (E_RNA)
where:
Base-Base interactions energy: -180.255
where: short stacking energy: -75.835
Base-Backbone interact. energy: -0.617
local terms energy: -91.307824
where:
bonds (distance) C4'-P energy: -16.888
bonds (distance) P-C4' energy: -17.002
flat angles C4'-P-C4' energy: -17.581
flat angles P-C4'-P energy: -11.789
tors. eta vs tors. theta energy: -28.049
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 392
Temperature: 1.150000
Total energy: -264.649881 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.649881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.649881 (E_RNA)
where:
Base-Base interactions energy: -178.332
where: short stacking energy: -70.369
Base-Backbone interact. energy: -0.814
local terms energy: -85.503651
where:
bonds (distance) C4'-P energy: -18.156
bonds (distance) P-C4' energy: -19.421
flat angles C4'-P-C4' energy: -17.680
flat angles P-C4'-P energy: -9.557
tors. eta vs tors. theta energy: -20.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 392
Temperature: 1.200000
Total energy: -163.413267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.413267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.413267 (E_RNA)
where:
Base-Base interactions energy: -94.656
where: short stacking energy: -45.867
Base-Backbone interact. energy: -0.674
local terms energy: -68.083020
where:
bonds (distance) C4'-P energy: -12.953
bonds (distance) P-C4' energy: -18.822
flat angles C4'-P-C4' energy: -17.544
flat angles P-C4'-P energy: -9.565
tors. eta vs tors. theta energy: -9.199
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: 8, replica: 9
=====================================
Write number: 392
Temperature: 1.250000
Total energy: -97.392709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.392709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.392709 (E_RNA)
where:
Base-Base interactions energy: -44.910
where: short stacking energy: -35.032
Base-Backbone interact. energy: -0.262
local terms energy: -52.220663
where:
bonds (distance) C4'-P energy: -14.822
bonds (distance) P-C4' energy: -16.706
flat angles C4'-P-C4' energy: -6.429
flat angles P-C4'-P energy: -8.589
tors. eta vs tors. theta energy: -5.674
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 392
Temperature: 1.300000
Total energy: -84.510928 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.510928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.510928 (E_RNA)
where:
Base-Base interactions energy: -36.029
where: short stacking energy: -25.534
Base-Backbone interact. energy: 0.581
local terms energy: -49.062771
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -7.947
flat angles C4'-P-C4' energy: -14.337
flat angles P-C4'-P energy: -8.315
tors. eta vs tors. theta energy: -3.724
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 392
Temperature: 1.350000
Total energy: -79.859798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.859798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.859798 (E_RNA)
where:
Base-Base interactions energy: -26.734
where: short stacking energy: -20.043
Base-Backbone interact. energy: 0.652
local terms energy: -53.778208
where:
bonds (distance) C4'-P energy: -13.869
bonds (distance) P-C4' energy: -19.094
flat angles C4'-P-C4' energy: -15.113
flat angles P-C4'-P energy: -8.817
tors. eta vs tors. theta energy: 3.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 393
Temperature: 0.900000
Total energy: -293.184305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.184305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.184305 (E_RNA)
where:
Base-Base interactions energy: -198.100
where: short stacking energy: -80.180
Base-Backbone interact. energy: -0.344
local terms energy: -94.739991
where:
bonds (distance) C4'-P energy: -19.479
bonds (distance) P-C4' energy: -18.374
flat angles C4'-P-C4' energy: -17.542
flat angles P-C4'-P energy: -11.357
tors. eta vs tors. theta energy: -27.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 393
Temperature: 0.950000
Total energy: -287.326219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.326219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.326219 (E_RNA)
where:
Base-Base interactions energy: -201.432
where: short stacking energy: -86.939
Base-Backbone interact. energy: -0.043
local terms energy: -85.850867
where:
bonds (distance) C4'-P energy: -13.857
bonds (distance) P-C4' energy: -14.773
flat angles C4'-P-C4' energy: -19.826
flat angles P-C4'-P energy: -13.464
tors. eta vs tors. theta energy: -23.931
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: 3, replica: 7
=====================================
Write number: 393
Temperature: 1.000000
Total energy: -284.340812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.340812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.340812 (E_RNA)
where:
Base-Base interactions energy: -185.788
where: short stacking energy: -76.253
Base-Backbone interact. energy: -1.390
local terms energy: -97.162472
where:
bonds (distance) C4'-P energy: -18.470
bonds (distance) P-C4' energy: -19.340
flat angles C4'-P-C4' energy: -19.454
flat angles P-C4'-P energy: -14.543
tors. eta vs tors. theta energy: -25.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 393
Temperature: 1.050000
Total energy: -273.206131 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.206131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.206131 (E_RNA)
where:
Base-Base interactions energy: -189.155
where: short stacking energy: -73.979
Base-Backbone interact. energy: 0.126
local terms energy: -84.177248
where:
bonds (distance) C4'-P energy: -17.044
bonds (distance) P-C4' energy: -14.741
flat angles C4'-P-C4' energy: -16.591
flat angles P-C4'-P energy: -14.491
tors. eta vs tors. theta energy: -21.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 393
Temperature: 1.100000
Total energy: -271.583605 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.583605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.583605 (E_RNA)
where:
Base-Base interactions energy: -178.076
where: short stacking energy: -76.115
Base-Backbone interact. energy: -0.013
local terms energy: -93.495084
where:
bonds (distance) C4'-P energy: -17.439
bonds (distance) P-C4' energy: -17.899
flat angles C4'-P-C4' energy: -21.578
flat angles P-C4'-P energy: -12.622
tors. eta vs tors. theta energy: -23.957
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 393
Temperature: 1.150000
Total energy: -261.794616 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.794616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.794616 (E_RNA)
where:
Base-Base interactions energy: -178.042
where: short stacking energy: -68.730
Base-Backbone interact. energy: -0.083
local terms energy: -83.670543
where:
bonds (distance) C4'-P energy: -15.372
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -16.790
flat angles P-C4'-P energy: -13.544
tors. eta vs tors. theta energy: -21.397
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: 7, replica: 2
=====================================
Write number: 393
Temperature: 1.200000
Total energy: -153.337992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.337992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.337992 (E_RNA)
where:
Base-Base interactions energy: -79.766
where: short stacking energy: -37.087
Base-Backbone interact. energy: -0.051
local terms energy: -73.520441
where:
bonds (distance) C4'-P energy: -19.326
bonds (distance) P-C4' energy: -16.085
flat angles C4'-P-C4' energy: -17.509
flat angles P-C4'-P energy: -10.279
tors. eta vs tors. theta energy: -10.322
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 393
Temperature: 1.250000
Total energy: -96.075450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.075450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.075450 (E_RNA)
where:
Base-Base interactions energy: -38.549
where: short stacking energy: -26.439
Base-Backbone interact. energy: -0.164
local terms energy: -57.362560
where:
bonds (distance) C4'-P energy: -17.290
bonds (distance) P-C4' energy: -17.280
flat angles C4'-P-C4' energy: -13.552
flat angles P-C4'-P energy: -7.300
tors. eta vs tors. theta energy: -1.940
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: 9
=====================================
Write number: 393
Temperature: 1.300000
Total energy: -100.325845 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.325845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.325845 (E_RNA)
where:
Base-Base interactions energy: -35.180
where: short stacking energy: -33.926
Base-Backbone interact. energy: -0.101
local terms energy: -65.044332
where:
bonds (distance) C4'-P energy: -12.130
bonds (distance) P-C4' energy: -19.901
flat angles C4'-P-C4' energy: -18.757
flat angles P-C4'-P energy: -9.454
tors. eta vs tors. theta energy: -4.803
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 393
Temperature: 1.350000
Total energy: -97.094349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.094349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.094349 (E_RNA)
where:
Base-Base interactions energy: -33.348
where: short stacking energy: -30.140
Base-Backbone interact. energy: -2.337
local terms energy: -61.409661
where:
bonds (distance) C4'-P energy: -14.156
bonds (distance) P-C4' energy: -20.578
flat angles C4'-P-C4' energy: -13.180
flat angles P-C4'-P energy: -4.132
tors. eta vs tors. theta energy: -9.364
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 394
Temperature: 0.900000
Total energy: -291.759821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.759821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.759821 (E_RNA)
where:
Base-Base interactions energy: -195.177
where: short stacking energy: -79.743
Base-Backbone interact. energy: -0.256
local terms energy: -96.326373
where:
bonds (distance) C4'-P energy: -19.754
bonds (distance) P-C4' energy: -16.795
flat angles C4'-P-C4' energy: -19.170
flat angles P-C4'-P energy: -15.164
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: 2, replica: 6
=====================================
Write number: 394
Temperature: 0.950000
Total energy: -290.728681 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.728681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.728681 (E_RNA)
where:
Base-Base interactions energy: -197.842
where: short stacking energy: -86.705
Base-Backbone interact. energy: -0.001
local terms energy: -92.885692
where:
bonds (distance) C4'-P energy: -18.983
bonds (distance) P-C4' energy: -17.298
flat angles C4'-P-C4' energy: -18.195
flat angles P-C4'-P energy: -12.049
tors. eta vs tors. theta energy: -26.360
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: 3, replica: 10
=====================================
Write number: 394
Temperature: 1.000000
Total energy: -276.545223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.545223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.545223 (E_RNA)
where:
Base-Base interactions energy: -186.612
where: short stacking energy: -78.439
Base-Backbone interact. energy: -0.015
local terms energy: -89.917707
where:
bonds (distance) C4'-P energy: -16.598
bonds (distance) P-C4' energy: -17.730
flat angles C4'-P-C4' energy: -18.329
flat angles P-C4'-P energy: -12.625
tors. eta vs tors. theta energy: -24.634
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 394
Temperature: 1.050000
Total energy: -286.026942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.026942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.026942 (E_RNA)
where:
Base-Base interactions energy: -193.325
where: short stacking energy: -77.085
Base-Backbone interact. energy: -0.669
local terms energy: -92.032564
where:
bonds (distance) C4'-P energy: -17.571
bonds (distance) P-C4' energy: -16.337
flat angles C4'-P-C4' energy: -18.907
flat angles P-C4'-P energy: -17.941
tors. eta vs tors. theta energy: -21.275
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 394
Temperature: 1.100000
Total energy: -272.993151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.993151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.993151 (E_RNA)
where:
Base-Base interactions energy: -186.636
where: short stacking energy: -88.307
Base-Backbone interact. energy: -0.433
local terms energy: -85.923930
where:
bonds (distance) C4'-P energy: -19.243
bonds (distance) P-C4' energy: -15.843
flat angles C4'-P-C4' energy: -15.290
flat angles P-C4'-P energy: -12.514
tors. eta vs tors. theta energy: -23.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 394
Temperature: 1.150000
Total energy: -264.066278 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.066278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.066278 (E_RNA)
where:
Base-Base interactions energy: -179.142
where: short stacking energy: -71.060
Base-Backbone interact. energy: -0.286
local terms energy: -84.638737
where:
bonds (distance) C4'-P energy: -15.593
bonds (distance) P-C4' energy: -19.635
flat angles C4'-P-C4' energy: -15.825
flat angles P-C4'-P energy: -12.955
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: 7, replica: 4
=====================================
Write number: 394
Temperature: 1.200000
Total energy: -130.471461 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.471461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.471461 (E_RNA)
where:
Base-Base interactions energy: -62.550
where: short stacking energy: -29.935
Base-Backbone interact. energy: -0.237
local terms energy: -67.684933
where:
bonds (distance) C4'-P energy: -18.147
bonds (distance) P-C4' energy: -18.516
flat angles C4'-P-C4' energy: -18.460
flat angles P-C4'-P energy: -8.487
tors. eta vs tors. theta energy: -4.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 394
Temperature: 1.250000
Total energy: -152.451213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.451213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.451213 (E_RNA)
where:
Base-Base interactions energy: -86.980
where: short stacking energy: -34.393
Base-Backbone interact. energy: -1.001
local terms energy: -64.470614
where:
bonds (distance) C4'-P energy: -15.376
bonds (distance) P-C4' energy: -14.284
flat angles C4'-P-C4' energy: -13.391
flat angles P-C4'-P energy: -9.802
tors. eta vs tors. theta energy: -11.618
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 394
Temperature: 1.300000
Total energy: -89.464598 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.464598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.464598 (E_RNA)
where:
Base-Base interactions energy: -39.853
where: short stacking energy: -23.665
Base-Backbone interact. energy: -0.149
local terms energy: -49.463213
where:
bonds (distance) C4'-P energy: -10.996
bonds (distance) P-C4' energy: -17.209
flat angles C4'-P-C4' energy: -14.553
flat angles P-C4'-P energy: -4.865
tors. eta vs tors. theta energy: -1.841
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: 9
=====================================
Write number: 394
Temperature: 1.350000
Total energy: -87.822328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.822328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.822328 (E_RNA)
where:
Base-Base interactions energy: -31.931
where: short stacking energy: -27.901
Base-Backbone interact. energy: -0.203
local terms energy: -55.688612
where:
bonds (distance) C4'-P energy: -17.678
bonds (distance) P-C4' energy: -14.397
flat angles C4'-P-C4' energy: -16.491
flat angles P-C4'-P energy: -9.538
tors. eta vs tors. theta energy: 2.416
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 395
Temperature: 0.900000
Total energy: -290.034871 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.034871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.034871 (E_RNA)
where:
Base-Base interactions energy: -197.122
where: short stacking energy: -82.293
Base-Backbone interact. energy: -0.384
local terms energy: -92.529703
where:
bonds (distance) C4'-P energy: -19.239
bonds (distance) P-C4' energy: -18.642
flat angles C4'-P-C4' energy: -20.253
flat angles P-C4'-P energy: -11.564
tors. eta vs tors. theta energy: -22.832
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 395
Temperature: 0.950000
Total energy: -286.611627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.611627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.611627 (E_RNA)
where:
Base-Base interactions energy: -195.324
where: short stacking energy: -79.879
Base-Backbone interact. energy: -0.030
local terms energy: -91.257770
where:
bonds (distance) C4'-P energy: -18.970
bonds (distance) P-C4' energy: -14.712
flat angles C4'-P-C4' energy: -20.346
flat angles P-C4'-P energy: -13.234
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: 3, replica: 6
=====================================
Write number: 395
Temperature: 1.000000
Total energy: -285.014058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.014058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.014058 (E_RNA)
where:
Base-Base interactions energy: -191.655
where: short stacking energy: -82.074
Base-Backbone interact. energy: -0.573
local terms energy: -92.786246
where:
bonds (distance) C4'-P energy: -16.011
bonds (distance) P-C4' energy: -18.174
flat angles C4'-P-C4' energy: -19.000
flat angles P-C4'-P energy: -15.722
tors. eta vs tors. theta energy: -23.879
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 395
Temperature: 1.050000
Total energy: -272.869830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.869830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.869830 (E_RNA)
where:
Base-Base interactions energy: -181.610
where: short stacking energy: -77.830
Base-Backbone interact. energy: -0.027
local terms energy: -91.233185
where:
bonds (distance) C4'-P energy: -18.782
bonds (distance) P-C4' energy: -18.499
flat angles C4'-P-C4' energy: -16.428
flat angles P-C4'-P energy: -10.857
tors. eta vs tors. theta energy: -26.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 395
Temperature: 1.100000
Total energy: -270.773042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.773042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.773042 (E_RNA)
where:
Base-Base interactions energy: -187.725
where: short stacking energy: -71.653
Base-Backbone interact. energy: -0.085
local terms energy: -82.963167
where:
bonds (distance) C4'-P energy: -13.796
bonds (distance) P-C4' energy: -11.965
flat angles C4'-P-C4' energy: -19.179
flat angles P-C4'-P energy: -14.913
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: 6, replica: 3
=====================================
Write number: 395
Temperature: 1.150000
Total energy: -253.863112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.863112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.863112 (E_RNA)
where:
Base-Base interactions energy: -172.956
where: short stacking energy: -67.973
Base-Backbone interact. energy: 0.301
local terms energy: -81.208246
where:
bonds (distance) C4'-P energy: -14.517
bonds (distance) P-C4' energy: -15.968
flat angles C4'-P-C4' energy: -17.245
flat angles P-C4'-P energy: -12.468
tors. eta vs tors. theta energy: -21.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 395
Temperature: 1.200000
Total energy: -170.002071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.002071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.002071 (E_RNA)
where:
Base-Base interactions energy: -99.888
where: short stacking energy: -45.003
Base-Backbone interact. energy: -0.959
local terms energy: -69.155795
where:
bonds (distance) C4'-P energy: -17.447
bonds (distance) P-C4' energy: -14.829
flat angles C4'-P-C4' energy: -15.282
flat angles P-C4'-P energy: -10.267
tors. eta vs tors. theta energy: -11.330
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 395
Temperature: 1.250000
Total energy: -101.858237 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.858237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.858237 (E_RNA)
where:
Base-Base interactions energy: -35.075
where: short stacking energy: -33.607
Base-Backbone interact. energy: -0.572
local terms energy: -66.211667
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -12.132
flat angles P-C4'-P energy: -13.129
tors. eta vs tors. theta energy: -8.967
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 395
Temperature: 1.300000
Total energy: -147.868232 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -147.868232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -147.868232 (E_RNA)
where:
Base-Base interactions energy: -85.665
where: short stacking energy: -44.936
Base-Backbone interact. energy: 0.123
local terms energy: -62.326766
where:
bonds (distance) C4'-P energy: -12.749
bonds (distance) P-C4' energy: -14.126
flat angles C4'-P-C4' energy: -15.201
flat angles P-C4'-P energy: -11.727
tors. eta vs tors. theta energy: -8.524
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: 10, replica: 9
=====================================
Write number: 395
Temperature: 1.350000
Total energy: -89.052919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.052919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.052919 (E_RNA)
where:
Base-Base interactions energy: -34.801
where: short stacking energy: -34.801
Base-Backbone interact. energy: -0.276
local terms energy: -53.975740
where:
bonds (distance) C4'-P energy: -16.043
bonds (distance) P-C4' energy: -11.161
flat angles C4'-P-C4' energy: -13.456
flat angles P-C4'-P energy: -7.490
tors. eta vs tors. theta energy: -5.825
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 396
Temperature: 0.900000
Total energy: -292.708680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.708680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.708680 (E_RNA)
where:
Base-Base interactions energy: -204.430
where: short stacking energy: -83.624
Base-Backbone interact. energy: -0.256
local terms energy: -88.022318
where:
bonds (distance) C4'-P energy: -15.916
bonds (distance) P-C4' energy: -16.901
flat angles C4'-P-C4' energy: -17.629
flat angles P-C4'-P energy: -15.883
tors. eta vs tors. theta energy: -21.694
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: 396
Temperature: 0.950000
Total energy: -287.444411 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.444411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.444411 (E_RNA)
where:
Base-Base interactions energy: -202.477
where: short stacking energy: -79.193
Base-Backbone interact. energy: -0.516
local terms energy: -84.451160
where:
bonds (distance) C4'-P energy: -19.579
bonds (distance) P-C4' energy: -14.198
flat angles C4'-P-C4' energy: -14.854
flat angles P-C4'-P energy: -13.190
tors. eta vs tors. theta energy: -22.630
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: 7
=====================================
Write number: 396
Temperature: 1.000000
Total energy: -282.723930 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.723930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.723930 (E_RNA)
where:
Base-Base interactions energy: -189.766
where: short stacking energy: -74.267
Base-Backbone interact. energy: -0.404
local terms energy: -92.553868
where:
bonds (distance) C4'-P energy: -20.614
bonds (distance) P-C4' energy: -20.602
flat angles C4'-P-C4' energy: -15.354
flat angles P-C4'-P energy: -11.032
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: 4, replica: 6
=====================================
Write number: 396
Temperature: 1.050000
Total energy: -275.788615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.788615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.788615 (E_RNA)
where:
Base-Base interactions energy: -194.520
where: short stacking energy: -76.980
Base-Backbone interact. energy: -0.005
local terms energy: -81.263438
where:
bonds (distance) C4'-P energy: -17.144
bonds (distance) P-C4' energy: -17.116
flat angles C4'-P-C4' energy: -19.286
flat angles P-C4'-P energy: -7.477
tors. eta vs tors. theta energy: -20.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 396
Temperature: 1.100000
Total energy: -265.358761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.358761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.358761 (E_RNA)
where:
Base-Base interactions energy: -186.679
where: short stacking energy: -69.611
Base-Backbone interact. energy: -0.756
local terms energy: -77.924513
where:
bonds (distance) C4'-P energy: -16.842
bonds (distance) P-C4' energy: -12.397
flat angles C4'-P-C4' energy: -14.977
flat angles P-C4'-P energy: -11.564
tors. eta vs tors. theta energy: -22.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 396
Temperature: 1.150000
Total energy: -262.886265 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.886265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.886265 (E_RNA)
where:
Base-Base interactions energy: -185.272
where: short stacking energy: -69.550
Base-Backbone interact. energy: -0.257
local terms energy: -77.357766
where:
bonds (distance) C4'-P energy: -14.504
bonds (distance) P-C4' energy: -13.388
flat angles C4'-P-C4' energy: -16.917
flat angles P-C4'-P energy: -10.404
tors. eta vs tors. theta energy: -22.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 396
Temperature: 1.200000
Total energy: -190.688020 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -190.688020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -190.688020 (E_RNA)
where:
Base-Base interactions energy: -119.744
where: short stacking energy: -39.352
Base-Backbone interact. energy: -0.853
local terms energy: -70.091424
where:
bonds (distance) C4'-P energy: -16.007
bonds (distance) P-C4' energy: -14.962
flat angles C4'-P-C4' energy: -18.322
flat angles P-C4'-P energy: -9.986
tors. eta vs tors. theta energy: -10.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 396
Temperature: 1.250000
Total energy: -89.740094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.740094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.740094 (E_RNA)
where:
Base-Base interactions energy: -34.644
where: short stacking energy: -31.038
Base-Backbone interact. energy: -0.551
local terms energy: -54.544593
where:
bonds (distance) C4'-P energy: -19.276
bonds (distance) P-C4' energy: -13.364
flat angles C4'-P-C4' energy: -12.230
flat angles P-C4'-P energy: -6.894
tors. eta vs tors. theta energy: -2.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 396
Temperature: 1.300000
Total energy: -161.687475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.687475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.687475 (E_RNA)
where:
Base-Base interactions energy: -90.931
where: short stacking energy: -35.694
Base-Backbone interact. energy: -0.461
local terms energy: -70.296136
where:
bonds (distance) C4'-P energy: -17.206
bonds (distance) P-C4' energy: -15.938
flat angles C4'-P-C4' energy: -16.713
flat angles P-C4'-P energy: -13.342
tors. eta vs tors. theta energy: -7.097
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 396
Temperature: 1.350000
Total energy: -104.214392 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.214392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.214392 (E_RNA)
where:
Base-Base interactions energy: -43.951
where: short stacking energy: -21.508
Base-Backbone interact. energy: -0.754
local terms energy: -59.508738
where:
bonds (distance) C4'-P energy: -13.839
bonds (distance) P-C4' energy: -17.250
flat angles C4'-P-C4' energy: -13.666
flat angles P-C4'-P energy: -7.979
tors. eta vs tors. theta energy: -6.774
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 397
Temperature: 0.900000
Total energy: -285.913712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.913712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.913712 (E_RNA)
where:
Base-Base interactions energy: -195.880
where: short stacking energy: -78.961
Base-Backbone interact. energy: -0.214
local terms energy: -89.819473
where:
bonds (distance) C4'-P energy: -18.975
bonds (distance) P-C4' energy: -16.536
flat angles C4'-P-C4' energy: -20.610
flat angles P-C4'-P energy: -13.459
tors. eta vs tors. theta energy: -20.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 397
Temperature: 0.950000
Total energy: -273.822450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.822450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.822450 (E_RNA)
where:
Base-Base interactions energy: -192.757
where: short stacking energy: -69.725
Base-Backbone interact. energy: -0.193
local terms energy: -80.872775
where:
bonds (distance) C4'-P energy: -17.402
bonds (distance) P-C4' energy: -18.600
flat angles C4'-P-C4' energy: -16.969
flat angles P-C4'-P energy: -10.866
tors. eta vs tors. theta energy: -17.035
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 397
Temperature: 1.000000
Total energy: -280.478417 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.478417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.478417 (E_RNA)
where:
Base-Base interactions energy: -185.494
where: short stacking energy: -74.716
Base-Backbone interact. energy: -0.009
local terms energy: -94.975132
where:
bonds (distance) C4'-P energy: -19.070
bonds (distance) P-C4' energy: -19.938
flat angles C4'-P-C4' energy: -17.958
flat angles P-C4'-P energy: -15.341
tors. eta vs tors. theta energy: -22.669
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: 397
Temperature: 1.050000
Total energy: -272.644591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.644591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.644591 (E_RNA)
where:
Base-Base interactions energy: -181.265
where: short stacking energy: -76.493
Base-Backbone interact. energy: -0.037
local terms energy: -91.343027
where:
bonds (distance) C4'-P energy: -16.333
bonds (distance) P-C4' energy: -15.456
flat angles C4'-P-C4' energy: -19.161
flat angles P-C4'-P energy: -14.128
tors. eta vs tors. theta energy: -26.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 397
Temperature: 1.100000
Total energy: -263.371016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.371016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.371016 (E_RNA)
where:
Base-Base interactions energy: -173.697
where: short stacking energy: -69.620
Base-Backbone interact. energy: -0.002
local terms energy: -89.672816
where:
bonds (distance) C4'-P energy: -15.510
bonds (distance) P-C4' energy: -18.519
flat angles C4'-P-C4' energy: -19.862
flat angles P-C4'-P energy: -13.290
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: 6, replica: 8
=====================================
Write number: 397
Temperature: 1.150000
Total energy: -267.159407 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.159407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.159407 (E_RNA)
where:
Base-Base interactions energy: -180.691
where: short stacking energy: -66.503
Base-Backbone interact. energy: -0.110
local terms energy: -86.358335
where:
bonds (distance) C4'-P energy: -18.564
bonds (distance) P-C4' energy: -18.390
flat angles C4'-P-C4' energy: -16.750
flat angles P-C4'-P energy: -13.297
tors. eta vs tors. theta energy: -19.358
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 397
Temperature: 1.200000
Total energy: -173.717632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.717632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.717632 (E_RNA)
where:
Base-Base interactions energy: -103.479
where: short stacking energy: -45.498
Base-Backbone interact. energy: -0.783
local terms energy: -69.456110
where:
bonds (distance) C4'-P energy: -9.197
bonds (distance) P-C4' energy: -16.747
flat angles C4'-P-C4' energy: -18.778
flat angles P-C4'-P energy: -11.451
tors. eta vs tors. theta energy: -13.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 397
Temperature: 1.250000
Total energy: -182.638243 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.638243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.638243 (E_RNA)
where:
Base-Base interactions energy: -129.319
where: short stacking energy: -59.415
Base-Backbone interact. energy: -1.790
local terms energy: -51.529417
where:
bonds (distance) C4'-P energy: -5.622
bonds (distance) P-C4' energy: -14.153
flat angles C4'-P-C4' energy: -13.490
flat angles P-C4'-P energy: -6.895
tors. eta vs tors. theta energy: -11.369
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 397
Temperature: 1.300000
Total energy: -88.302904 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.302904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.302904 (E_RNA)
where:
Base-Base interactions energy: -26.739
where: short stacking energy: -26.127
Base-Backbone interact. energy: -0.152
local terms energy: -61.412046
where:
bonds (distance) C4'-P energy: -16.800
bonds (distance) P-C4' energy: -21.352
flat angles C4'-P-C4' energy: -13.337
flat angles P-C4'-P energy: -7.130
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: 9
=====================================
Write number: 397
Temperature: 1.350000
Total energy: -78.075584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.075584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.075584 (E_RNA)
where:
Base-Base interactions energy: -23.339
where: short stacking energy: -21.793
Base-Backbone interact. energy: -0.241
local terms energy: -54.495868
where:
bonds (distance) C4'-P energy: -10.800
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -19.095
flat angles P-C4'-P energy: -5.861
tors. eta vs tors. theta energy: -1.667
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 398
Temperature: 0.900000
Total energy: -290.248406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.248406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.248406 (E_RNA)
where:
Base-Base interactions energy: -203.250
where: short stacking energy: -76.663
Base-Backbone interact. energy: -0.229
local terms energy: -86.769560
where:
bonds (distance) C4'-P energy: -17.215
bonds (distance) P-C4' energy: -15.772
flat angles C4'-P-C4' energy: -19.467
flat angles P-C4'-P energy: -12.682
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: 2, replica: 10
=====================================
Write number: 398
Temperature: 0.950000
Total energy: -282.798015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.798015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.798015 (E_RNA)
where:
Base-Base interactions energy: -198.077
where: short stacking energy: -81.606
Base-Backbone interact. energy: -0.127
local terms energy: -84.593423
where:
bonds (distance) C4'-P energy: -13.340
bonds (distance) P-C4' energy: -18.822
flat angles C4'-P-C4' energy: -16.198
flat angles P-C4'-P energy: -12.464
tors. eta vs tors. theta energy: -23.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 398
Temperature: 1.000000
Total energy: -277.126076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.126076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.126076 (E_RNA)
where:
Base-Base interactions energy: -188.045
where: short stacking energy: -75.056
Base-Backbone interact. energy: -0.059
local terms energy: -89.022177
where:
bonds (distance) C4'-P energy: -15.841
bonds (distance) P-C4' energy: -16.483
flat angles C4'-P-C4' energy: -18.701
flat angles P-C4'-P energy: -13.445
tors. eta vs tors. theta energy: -24.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 398
Temperature: 1.050000
Total energy: -266.921874 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.921874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.921874 (E_RNA)
where:
Base-Base interactions energy: -179.835
where: short stacking energy: -74.481
Base-Backbone interact. energy: -0.874
local terms energy: -86.213060
where:
bonds (distance) C4'-P energy: -16.954
bonds (distance) P-C4' energy: -17.840
flat angles C4'-P-C4' energy: -18.076
flat angles P-C4'-P energy: -9.357
tors. eta vs tors. theta energy: -23.986
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 398
Temperature: 1.100000
Total energy: -261.478096 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.478096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.478096 (E_RNA)
where:
Base-Base interactions energy: -174.431
where: short stacking energy: -68.171
Base-Backbone interact. energy: -1.499
local terms energy: -85.548253
where:
bonds (distance) C4'-P energy: -17.135
bonds (distance) P-C4' energy: -19.671
flat angles C4'-P-C4' energy: -19.380
flat angles P-C4'-P energy: -11.095
tors. eta vs tors. theta energy: -18.267
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: 6
=====================================
Write number: 398
Temperature: 1.150000
Total energy: -259.957109 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.957109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.957109 (E_RNA)
where:
Base-Base interactions energy: -180.777
where: short stacking energy: -77.398
Base-Backbone interact. energy: -0.611
local terms energy: -78.568380
where:
bonds (distance) C4'-P energy: -15.500
bonds (distance) P-C4' energy: -19.073
flat angles C4'-P-C4' energy: -12.225
flat angles P-C4'-P energy: -10.894
tors. eta vs tors. theta energy: -20.876
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 398
Temperature: 1.200000
Total energy: -206.046892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -206.046892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -206.046892 (E_RNA)
where:
Base-Base interactions energy: -129.690
where: short stacking energy: -54.230
Base-Backbone interact. energy: -0.117
local terms energy: -76.239220
where:
bonds (distance) C4'-P energy: -14.545
bonds (distance) P-C4' energy: -17.248
flat angles C4'-P-C4' energy: -18.442
flat angles P-C4'-P energy: -11.516
tors. eta vs tors. theta energy: -14.489
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: 8, replica: 2
=====================================
Write number: 398
Temperature: 1.250000
Total energy: -180.487916 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.487916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.487916 (E_RNA)
where:
Base-Base interactions energy: -108.328
where: short stacking energy: -56.498
Base-Backbone interact. energy: -1.428
local terms energy: -70.732097
where:
bonds (distance) C4'-P energy: -13.605
bonds (distance) P-C4' energy: -18.051
flat angles C4'-P-C4' energy: -17.794
flat angles P-C4'-P energy: -8.639
tors. eta vs tors. theta energy: -12.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 398
Temperature: 1.300000
Total energy: -92.349381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.349381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.349381 (E_RNA)
where:
Base-Base interactions energy: -30.852
where: short stacking energy: -30.641
Base-Backbone interact. energy: -0.174
local terms energy: -61.323636
where:
bonds (distance) C4'-P energy: -14.030
bonds (distance) P-C4' energy: -16.998
flat angles C4'-P-C4' energy: -16.364
flat angles P-C4'-P energy: -8.700
tors. eta vs tors. theta energy: -5.232
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 398
Temperature: 1.350000
Total energy: -93.490534 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.490534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.490534 (E_RNA)
where:
Base-Base interactions energy: -39.534
where: short stacking energy: -26.049
Base-Backbone interact. energy: -0.215
local terms energy: -53.741326
where:
bonds (distance) C4'-P energy: -16.173
bonds (distance) P-C4' energy: -19.172
flat angles C4'-P-C4' energy: -9.532
flat angles P-C4'-P energy: -4.424
tors. eta vs tors. theta energy: -4.441
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 399
Temperature: 0.900000
Total energy: -300.453677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -300.453677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -300.453677 (E_RNA)
where:
Base-Base interactions energy: -212.193
where: short stacking energy: -84.859
Base-Backbone interact. energy: -0.193
local terms energy: -88.067316
where:
bonds (distance) C4'-P energy: -16.208
bonds (distance) P-C4' energy: -21.077
flat angles C4'-P-C4' energy: -15.830
flat angles P-C4'-P energy: -14.412
tors. eta vs tors. theta energy: -20.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 399
Temperature: 0.950000
Total energy: -283.123274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.123274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.123274 (E_RNA)
where:
Base-Base interactions energy: -196.534
where: short stacking energy: -79.300
Base-Backbone interact. energy: -0.194
local terms energy: -86.395562
where:
bonds (distance) C4'-P energy: -16.479
bonds (distance) P-C4' energy: -13.323
flat angles C4'-P-C4' energy: -18.839
flat angles P-C4'-P energy: -13.517
tors. eta vs tors. theta energy: -24.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 399
Temperature: 1.000000
Total energy: -276.586758 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.586758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.586758 (E_RNA)
where:
Base-Base interactions energy: -191.291
where: short stacking energy: -80.128
Base-Backbone interact. energy: -0.151
local terms energy: -85.145029
where:
bonds (distance) C4'-P energy: -15.981
bonds (distance) P-C4' energy: -18.337
flat angles C4'-P-C4' energy: -17.735
flat angles P-C4'-P energy: -11.394
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: 4, replica: 5
=====================================
Write number: 399
Temperature: 1.050000
Total energy: -276.521124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.521124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.521124 (E_RNA)
where:
Base-Base interactions energy: -188.188
where: short stacking energy: -73.618
Base-Backbone interact. energy: -0.034
local terms energy: -88.298858
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -21.065
flat angles C4'-P-C4' energy: -21.086
flat angles P-C4'-P energy: -7.710
tors. eta vs tors. theta energy: -23.698
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 399
Temperature: 1.100000
Total energy: -269.567729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.567729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.567729 (E_RNA)
where:
Base-Base interactions energy: -182.896
where: short stacking energy: -71.032
Base-Backbone interact. energy: -0.083
local terms energy: -86.588678
where:
bonds (distance) C4'-P energy: -18.063
bonds (distance) P-C4' energy: -20.458
flat angles C4'-P-C4' energy: -20.085
flat angles P-C4'-P energy: -9.744
tors. eta vs tors. theta energy: -18.239
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: 6
=====================================
Write number: 399
Temperature: 1.150000
Total energy: -260.129103 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.129103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.129103 (E_RNA)
where:
Base-Base interactions energy: -178.488
where: short stacking energy: -71.393
Base-Backbone interact. energy: -1.371
local terms energy: -80.270061
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -14.234
flat angles C4'-P-C4' energy: -16.723
flat angles P-C4'-P energy: -13.207
tors. eta vs tors. theta energy: -21.867
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 399
Temperature: 1.200000
Total energy: -231.256578 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -231.256578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -231.256578 (E_RNA)
where:
Base-Base interactions energy: -151.863
where: short stacking energy: -63.883
Base-Backbone interact. energy: -1.000
local terms energy: -78.393870
where:
bonds (distance) C4'-P energy: -14.746
bonds (distance) P-C4' energy: -13.686
flat angles C4'-P-C4' energy: -18.370
flat angles P-C4'-P energy: -14.725
tors. eta vs tors. theta energy: -16.867
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: 2
=====================================
Write number: 399
Temperature: 1.250000
Total energy: -163.640592 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.640592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.640592 (E_RNA)
where:
Base-Base interactions energy: -91.565
where: short stacking energy: -51.567
Base-Backbone interact. energy: 2.484
local terms energy: -74.559405
where:
bonds (distance) C4'-P energy: -14.934
bonds (distance) P-C4' energy: -17.347
flat angles C4'-P-C4' energy: -19.173
flat angles P-C4'-P energy: -3.220
tors. eta vs tors. theta energy: -19.886
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: 9
=====================================
Write number: 399
Temperature: 1.300000
Total energy: -127.759720 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -127.759720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -127.759720 (E_RNA)
where:
Base-Base interactions energy: -66.896
where: short stacking energy: -44.733
Base-Backbone interact. energy: -0.024
local terms energy: -60.839131
where:
bonds (distance) C4'-P energy: -9.916
bonds (distance) P-C4' energy: -17.851
flat angles C4'-P-C4' energy: -12.082
flat angles P-C4'-P energy: -11.064
tors. eta vs tors. theta energy: -9.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 399
Temperature: 1.350000
Total energy: -120.629226 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.629226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.629226 (E_RNA)
where:
Base-Base interactions energy: -65.364
where: short stacking energy: -23.543
Base-Backbone interact. energy: -0.457
local terms energy: -54.807483
where:
bonds (distance) C4'-P energy: -10.843
bonds (distance) P-C4' energy: -18.097
flat angles C4'-P-C4' energy: -11.417
flat angles P-C4'-P energy: -14.525
tors. eta vs tors. theta energy: 0.075
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 400
Temperature: 0.900000
Total energy: -286.076726 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.076726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.076726 (E_RNA)
where:
Base-Base interactions energy: -196.396
where: short stacking energy: -73.447
Base-Backbone interact. energy: -0.141
local terms energy: -89.539483
where:
bonds (distance) C4'-P energy: -14.197
bonds (distance) P-C4' energy: -17.598
flat angles C4'-P-C4' energy: -19.169
flat angles P-C4'-P energy: -15.521
tors. eta vs tors. theta energy: -23.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 400
Temperature: 0.950000
Total energy: -291.929266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.929266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.929266 (E_RNA)
where:
Base-Base interactions energy: -206.072
where: short stacking energy: -74.359
Base-Backbone interact. energy: -0.314
local terms energy: -85.543234
where:
bonds (distance) C4'-P energy: -17.760
bonds (distance) P-C4' energy: -17.012
flat angles C4'-P-C4' energy: -16.950
flat angles P-C4'-P energy: -13.028
tors. eta vs tors. theta energy: -20.794
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 400
Temperature: 1.000000
Total energy: -281.213853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.213853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.213853 (E_RNA)
where:
Base-Base interactions energy: -193.466
where: short stacking energy: -80.061
Base-Backbone interact. energy: -0.037
local terms energy: -87.710375
where:
bonds (distance) C4'-P energy: -16.876
bonds (distance) P-C4' energy: -14.749
flat angles C4'-P-C4' energy: -19.159
flat angles P-C4'-P energy: -13.728
tors. eta vs tors. theta energy: -23.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 400
Temperature: 1.050000
Total energy: -274.028148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.028148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.028148 (E_RNA)
where:
Base-Base interactions energy: -187.257
where: short stacking energy: -76.067
Base-Backbone interact. energy: -0.649
local terms energy: -86.122183
where:
bonds (distance) C4'-P energy: -18.569
bonds (distance) P-C4' energy: -15.243
flat angles C4'-P-C4' energy: -18.395
flat angles P-C4'-P energy: -12.531
tors. eta vs tors. theta energy: -21.384
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 400
Temperature: 1.100000
Total energy: -260.224452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.224452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.224452 (E_RNA)
where:
Base-Base interactions energy: -177.298
where: short stacking energy: -69.783
Base-Backbone interact. energy: -0.239
local terms energy: -82.687422
where:
bonds (distance) C4'-P energy: -13.658
bonds (distance) P-C4' energy: -17.505
flat angles C4'-P-C4' energy: -16.894
flat angles P-C4'-P energy: -9.545
tors. eta vs tors. theta energy: -25.085
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 400
Temperature: 1.150000
Total energy: -260.752030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.752030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.752030 (E_RNA)
where:
Base-Base interactions energy: -179.116
where: short stacking energy: -62.844
Base-Backbone interact. energy: -0.714
local terms energy: -80.921717
where:
bonds (distance) C4'-P energy: -14.288
bonds (distance) P-C4' energy: -15.628
flat angles C4'-P-C4' energy: -20.013
flat angles P-C4'-P energy: -9.368
tors. eta vs tors. theta energy: -21.625
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: 4
=====================================
Write number: 400
Temperature: 1.200000
Total energy: -191.845095 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.845095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.845095 (E_RNA)
where:
Base-Base interactions energy: -127.219
where: short stacking energy: -51.247
Base-Backbone interact. energy: 0.636
local terms energy: -65.261883
where:
bonds (distance) C4'-P energy: -12.525
bonds (distance) P-C4' energy: -12.184
flat angles C4'-P-C4' energy: -17.093
flat angles P-C4'-P energy: -7.825
tors. eta vs tors. theta energy: -15.635
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 400
Temperature: 1.250000
Total energy: -176.886521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.886521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.886521 (E_RNA)
where:
Base-Base interactions energy: -122.657
where: short stacking energy: -54.840
Base-Backbone interact. energy: -1.404
local terms energy: -52.826448
where:
bonds (distance) C4'-P energy: -7.972
bonds (distance) P-C4' energy: -12.776
flat angles C4'-P-C4' energy: -14.659
flat angles P-C4'-P energy: -7.813
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: 9, replica: 1
=====================================
Write number: 400
Temperature: 1.300000
Total energy: -143.939784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.939784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.939784 (E_RNA)
where:
Base-Base interactions energy: -80.889
where: short stacking energy: -34.544
Base-Backbone interact. energy: -0.346
local terms energy: -62.704257
where:
bonds (distance) C4'-P energy: -16.694
bonds (distance) P-C4' energy: -15.304
flat angles C4'-P-C4' energy: -16.951
flat angles P-C4'-P energy: -7.634
tors. eta vs tors. theta energy: -6.121
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: 9
=====================================
Write number: 400
Temperature: 1.350000
Total energy: -94.053313 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.053313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.053313 (E_RNA)
where:
Base-Base interactions energy: -44.536
where: short stacking energy: -30.181
Base-Backbone interact. energy: -0.956
local terms energy: -48.561162
where:
bonds (distance) C4'-P energy: -5.755
bonds (distance) P-C4' energy: -16.159
flat angles C4'-P-C4' energy: -15.071
flat angles P-C4'-P energy: -3.287
tors. eta vs tors. theta energy: -8.289
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 10
=====================================
Write number: 401
Temperature: 0.900000
Total energy: -276.089082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.089082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.089082 (E_RNA)
where:
Base-Base interactions energy: -181.833
where: short stacking energy: -82.587
Base-Backbone interact. energy: -0.716
local terms energy: -93.539980
where:
bonds (distance) C4'-P energy: -17.461
bonds (distance) P-C4' energy: -19.746
flat angles C4'-P-C4' energy: -16.647
flat angles P-C4'-P energy: -12.232
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: 2, replica: 5
=====================================
Write number: 401
Temperature: 0.950000
Total energy: -277.923912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.923912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.923912 (E_RNA)
where:
Base-Base interactions energy: -188.284
where: short stacking energy: -73.793
Base-Backbone interact. energy: -2.041
local terms energy: -87.599622
where:
bonds (distance) C4'-P energy: -17.435
bonds (distance) P-C4' energy: -18.880
flat angles C4'-P-C4' energy: -17.606
flat angles P-C4'-P energy: -13.171
tors. eta vs tors. theta energy: -20.508
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: 7
=====================================
Write number: 401
Temperature: 1.000000
Total energy: -289.149541 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.149541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.149541 (E_RNA)
where:
Base-Base interactions energy: -209.686
where: short stacking energy: -75.943
Base-Backbone interact. energy: -0.431
local terms energy: -79.032378
where:
bonds (distance) C4'-P energy: -15.558
bonds (distance) P-C4' energy: -12.806
flat angles C4'-P-C4' energy: -15.547
flat angles P-C4'-P energy: -13.314
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: 4, replica: 3
=====================================
Write number: 401
Temperature: 1.050000
Total energy: -271.647693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.647693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.647693 (E_RNA)
where:
Base-Base interactions energy: -181.110
where: short stacking energy: -76.778
Base-Backbone interact. energy: -0.100
local terms energy: -90.437333
where:
bonds (distance) C4'-P energy: -18.971
bonds (distance) P-C4' energy: -18.496
flat angles C4'-P-C4' energy: -19.677
flat angles P-C4'-P energy: -8.549
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: 5, replica: 6
=====================================
Write number: 401
Temperature: 1.100000
Total energy: -267.627969 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.627969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.627969 (E_RNA)
where:
Base-Base interactions energy: -183.481
where: short stacking energy: -74.774
Base-Backbone interact. energy: -0.013
local terms energy: -84.133752
where:
bonds (distance) C4'-P energy: -18.175
bonds (distance) P-C4' energy: -17.842
flat angles C4'-P-C4' energy: -15.796
flat angles P-C4'-P energy: -11.088
tors. eta vs tors. theta energy: -21.234
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 401
Temperature: 1.150000
Total energy: -258.093144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.093144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.093144 (E_RNA)
where:
Base-Base interactions energy: -173.878
where: short stacking energy: -68.033
Base-Backbone interact. energy: -0.052
local terms energy: -84.162803
where:
bonds (distance) C4'-P energy: -14.616
bonds (distance) P-C4' energy: -16.515
flat angles C4'-P-C4' energy: -18.736
flat angles P-C4'-P energy: -12.908
tors. eta vs tors. theta energy: -21.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 401
Temperature: 1.200000
Total energy: -195.847046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.847046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.847046 (E_RNA)
where:
Base-Base interactions energy: -122.979
where: short stacking energy: -56.758
Base-Backbone interact. energy: -0.824
local terms energy: -72.044373
where:
bonds (distance) C4'-P energy: -15.207
bonds (distance) P-C4' energy: -18.855
flat angles C4'-P-C4' energy: -14.748
flat angles P-C4'-P energy: -8.889
tors. eta vs tors. theta energy: -14.346
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 401
Temperature: 1.250000
Total energy: -155.743476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.743476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.743476 (E_RNA)
where:
Base-Base interactions energy: -84.897
where: short stacking energy: -40.968
Base-Backbone interact. energy: -0.679
local terms energy: -70.167434
where:
bonds (distance) C4'-P energy: -14.768
bonds (distance) P-C4' energy: -16.659
flat angles C4'-P-C4' energy: -16.830
flat angles P-C4'-P energy: -10.729
tors. eta vs tors. theta energy: -11.181
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: 9, replica: 2
=====================================
Write number: 401
Temperature: 1.300000
Total energy: -151.135901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.135901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.135901 (E_RNA)
where:
Base-Base interactions energy: -83.645
where: short stacking energy: -43.609
Base-Backbone interact. energy: -0.050
local terms energy: -67.441233
where:
bonds (distance) C4'-P energy: -13.119
bonds (distance) P-C4' energy: -18.336
flat angles C4'-P-C4' energy: -15.670
flat angles P-C4'-P energy: -7.594
tors. eta vs tors. theta energy: -12.722
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: 9
=====================================
Write number: 401
Temperature: 1.350000
Total energy: -83.443520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.443520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.443520 (E_RNA)
where:
Base-Base interactions energy: -37.067
where: short stacking energy: -28.334
Base-Backbone interact. energy: -0.094
local terms energy: -46.282500
where:
bonds (distance) C4'-P energy: -13.389
bonds (distance) P-C4' energy: -14.215
flat angles C4'-P-C4' energy: -12.295
flat angles P-C4'-P energy: -1.988
tors. eta vs tors. theta energy: -4.395
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 402
Temperature: 0.900000
Total energy: -289.843836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.843836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.843836 (E_RNA)
where:
Base-Base interactions energy: -201.916
where: short stacking energy: -72.973
Base-Backbone interact. energy: -0.717
local terms energy: -87.210656
where:
bonds (distance) C4'-P energy: -18.808
bonds (distance) P-C4' energy: -19.846
flat angles C4'-P-C4' energy: -19.482
flat angles P-C4'-P energy: -8.785
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: 2, replica: 10
=====================================
Write number: 402
Temperature: 0.950000
Total energy: -289.977364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.977364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.977364 (E_RNA)
where:
Base-Base interactions energy: -200.002
where: short stacking energy: -85.423
Base-Backbone interact. energy: -0.189
local terms energy: -89.786228
where:
bonds (distance) C4'-P energy: -20.307
bonds (distance) P-C4' energy: -11.468
flat angles C4'-P-C4' energy: -20.893
flat angles P-C4'-P energy: -13.102
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: 3, replica: 3
=====================================
Write number: 402
Temperature: 1.000000
Total energy: -278.340341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.340341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.340341 (E_RNA)
where:
Base-Base interactions energy: -192.944
where: short stacking energy: -77.048
Base-Backbone interact. energy: -0.100
local terms energy: -85.296319
where:
bonds (distance) C4'-P energy: -14.967
bonds (distance) P-C4' energy: -19.876
flat angles C4'-P-C4' energy: -17.546
flat angles P-C4'-P energy: -12.770
tors. eta vs tors. theta energy: -20.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 402
Temperature: 1.050000
Total energy: -274.848442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.848442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.848442 (E_RNA)
where:
Base-Base interactions energy: -200.487
where: short stacking energy: -75.584
Base-Backbone interact. energy: -0.059
local terms energy: -74.302362
where:
bonds (distance) C4'-P energy: -13.888
bonds (distance) P-C4' energy: -10.525
flat angles C4'-P-C4' energy: -17.773
flat angles P-C4'-P energy: -11.655
tors. eta vs tors. theta energy: -20.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 402
Temperature: 1.100000
Total energy: -270.767362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.767362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.767362 (E_RNA)
where:
Base-Base interactions energy: -190.236
where: short stacking energy: -72.584
Base-Backbone interact. energy: -0.571
local terms energy: -79.960308
where:
bonds (distance) C4'-P energy: -13.761
bonds (distance) P-C4' energy: -14.735
flat angles C4'-P-C4' energy: -17.850
flat angles P-C4'-P energy: -8.094
tors. eta vs tors. theta energy: -25.521
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 402
Temperature: 1.150000
Total energy: -265.885268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.885268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.885268 (E_RNA)
where:
Base-Base interactions energy: -178.642
where: short stacking energy: -72.849
Base-Backbone interact. energy: -0.883
local terms energy: -86.360217
where:
bonds (distance) C4'-P energy: -17.318
bonds (distance) P-C4' energy: -19.811
flat angles C4'-P-C4' energy: -16.338
flat angles P-C4'-P energy: -9.340
tors. eta vs tors. theta energy: -23.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 402
Temperature: 1.200000
Total energy: -165.296135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.296135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.296135 (E_RNA)
where:
Base-Base interactions energy: -110.362
where: short stacking energy: -50.697
Base-Backbone interact. energy: -0.449
local terms energy: -54.485712
where:
bonds (distance) C4'-P energy: -17.377
bonds (distance) P-C4' energy: -4.941
flat angles C4'-P-C4' energy: -19.643
flat angles P-C4'-P energy: -8.268
tors. eta vs tors. theta energy: -4.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 402
Temperature: 1.250000
Total energy: -164.705840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.705840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.705840 (E_RNA)
where:
Base-Base interactions energy: -101.403
where: short stacking energy: -40.406
Base-Backbone interact. energy: -0.065
local terms energy: -63.237736
where:
bonds (distance) C4'-P energy: -17.456
bonds (distance) P-C4' energy: -15.155
flat angles C4'-P-C4' energy: -15.328
flat angles P-C4'-P energy: -8.596
tors. eta vs tors. theta energy: -6.702
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 402
Temperature: 1.300000
Total energy: -125.966581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -125.966581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -125.966581 (E_RNA)
where:
Base-Base interactions energy: -75.528
where: short stacking energy: -31.653
Base-Backbone interact. energy: -0.193
local terms energy: -50.245573
where:
bonds (distance) C4'-P energy: -10.594
bonds (distance) P-C4' energy: -11.264
flat angles C4'-P-C4' energy: -18.503
flat angles P-C4'-P energy: -5.259
tors. eta vs tors. theta energy: -4.625
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 402
Temperature: 1.350000
Total energy: -135.266147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -135.266147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -135.266147 (E_RNA)
where:
Base-Base interactions energy: -73.791
where: short stacking energy: -36.334
Base-Backbone interact. energy: -0.067
local terms energy: -61.407855
where:
bonds (distance) C4'-P energy: -17.463
bonds (distance) P-C4' energy: -10.429
flat angles C4'-P-C4' energy: -15.835
flat angles P-C4'-P energy: -8.952
tors. eta vs tors. theta energy: -8.728
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 403
Temperature: 0.900000
Total energy: -291.067734 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.067734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.067734 (E_RNA)
where:
Base-Base interactions energy: -197.519
where: short stacking energy: -73.599
Base-Backbone interact. energy: -0.102
local terms energy: -93.446271
where:
bonds (distance) C4'-P energy: -17.038
bonds (distance) P-C4' energy: -16.505
flat angles C4'-P-C4' energy: -19.100
flat angles P-C4'-P energy: -17.184
tors. eta vs tors. theta energy: -23.620
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: 2, replica: 10
=====================================
Write number: 403
Temperature: 0.950000
Total energy: -286.010328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.010328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.010328 (E_RNA)
where:
Base-Base interactions energy: -195.704
where: short stacking energy: -79.708
Base-Backbone interact. energy: -0.804
local terms energy: -89.502868
where:
bonds (distance) C4'-P energy: -17.703
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -16.265
flat angles P-C4'-P energy: -14.417
tors. eta vs tors. theta energy: -24.678
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: 3
=====================================
Write number: 403
Temperature: 1.000000
Total energy: -276.960394 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.960394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.960394 (E_RNA)
where:
Base-Base interactions energy: -191.259
where: short stacking energy: -68.534
Base-Backbone interact. energy: -0.564
local terms energy: -85.137364
where:
bonds (distance) C4'-P energy: -18.022
bonds (distance) P-C4' energy: -15.089
flat angles C4'-P-C4' energy: -17.321
flat angles P-C4'-P energy: -10.425
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: 7
=====================================
Write number: 403
Temperature: 1.050000
Total energy: -277.474562 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.474562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.474562 (E_RNA)
where:
Base-Base interactions energy: -188.812
where: short stacking energy: -71.966
Base-Backbone interact. energy: -0.630
local terms energy: -88.033195
where:
bonds (distance) C4'-P energy: -15.211
bonds (distance) P-C4' energy: -20.970
flat angles C4'-P-C4' energy: -15.057
flat angles P-C4'-P energy: -12.023
tors. eta vs tors. theta energy: -24.773
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: 6
=====================================
Write number: 403
Temperature: 1.100000
Total energy: -272.143484 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.143484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.143484 (E_RNA)
where:
Base-Base interactions energy: -185.256
where: short stacking energy: -78.085
Base-Backbone interact. energy: -0.805
local terms energy: -86.083113
where:
bonds (distance) C4'-P energy: -16.941
bonds (distance) P-C4' energy: -15.926
flat angles C4'-P-C4' energy: -18.155
flat angles P-C4'-P energy: -11.760
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: 6, replica: 8
=====================================
Write number: 403
Temperature: 1.150000
Total energy: -265.169872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.169872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.169872 (E_RNA)
where:
Base-Base interactions energy: -181.805
where: short stacking energy: -74.822
Base-Backbone interact. energy: -0.588
local terms energy: -82.776458
where:
bonds (distance) C4'-P energy: -17.463
bonds (distance) P-C4' energy: -17.237
flat angles C4'-P-C4' energy: -14.889
flat angles P-C4'-P energy: -8.680
tors. eta vs tors. theta energy: -24.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 403
Temperature: 1.200000
Total energy: -160.841882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.841882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.841882 (E_RNA)
where:
Base-Base interactions energy: -99.146
where: short stacking energy: -40.787
Base-Backbone interact. energy: -0.602
local terms energy: -61.093800
where:
bonds (distance) C4'-P energy: -18.113
bonds (distance) P-C4' energy: -15.020
flat angles C4'-P-C4' energy: -12.462
flat angles P-C4'-P energy: -6.196
tors. eta vs tors. theta energy: -9.303
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 403
Temperature: 1.250000
Total energy: -150.921995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -150.921995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -150.921995 (E_RNA)
where:
Base-Base interactions energy: -89.106
where: short stacking energy: -41.278
Base-Backbone interact. energy: -1.787
local terms energy: -60.029264
where:
bonds (distance) C4'-P energy: -12.476
bonds (distance) P-C4' energy: -13.557
flat angles C4'-P-C4' energy: -13.707
flat angles P-C4'-P energy: -13.223
tors. eta vs tors. theta energy: -7.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 4
=====================================
Write number: 403
Temperature: 1.300000
Total energy: -176.028584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.028584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.028584 (E_RNA)
where:
Base-Base interactions energy: -103.832
where: short stacking energy: -50.377
Base-Backbone interact. energy: -0.369
local terms energy: -71.826943
where:
bonds (distance) C4'-P energy: -17.381
bonds (distance) P-C4' energy: -17.590
flat angles C4'-P-C4' energy: -13.736
flat angles P-C4'-P energy: -10.902
tors. eta vs tors. theta energy: -12.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 403
Temperature: 1.350000
Total energy: -152.524378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -152.524378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -152.524378 (E_RNA)
where:
Base-Base interactions energy: -93.593
where: short stacking energy: -43.545
Base-Backbone interact. energy: 1.051
local terms energy: -59.983087
where:
bonds (distance) C4'-P energy: -16.120
bonds (distance) P-C4' energy: -13.471
flat angles C4'-P-C4' energy: -17.226
flat angles P-C4'-P energy: -15.540
tors. eta vs tors. theta energy: 2.374
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 404
Temperature: 0.900000
Total energy: -287.027968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.027968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.027968 (E_RNA)
where:
Base-Base interactions energy: -194.959
where: short stacking energy: -76.772
Base-Backbone interact. energy: -1.080
local terms energy: -90.989498
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -17.322
flat angles C4'-P-C4' energy: -18.006
flat angles P-C4'-P energy: -15.674
tors. eta vs tors. theta energy: -25.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 404
Temperature: 0.950000
Total energy: -286.955973 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.955973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.955973 (E_RNA)
where:
Base-Base interactions energy: -194.140
where: short stacking energy: -84.177
Base-Backbone interact. energy: -0.683
local terms energy: -92.132396
where:
bonds (distance) C4'-P energy: -16.371
bonds (distance) P-C4' energy: -20.268
flat angles C4'-P-C4' energy: -18.673
flat angles P-C4'-P energy: -13.011
tors. eta vs tors. theta energy: -23.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 404
Temperature: 1.000000
Total energy: -281.343268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.343268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.343268 (E_RNA)
where:
Base-Base interactions energy: -192.475
where: short stacking energy: -71.341
Base-Backbone interact. energy: -0.886
local terms energy: -87.982144
where:
bonds (distance) C4'-P energy: -17.610
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -18.380
flat angles P-C4'-P energy: -13.637
tors. eta vs tors. theta energy: -19.497
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 404
Temperature: 1.050000
Total energy: -273.803701 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.803701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.803701 (E_RNA)
where:
Base-Base interactions energy: -185.416
where: short stacking energy: -72.195
Base-Backbone interact. energy: -0.007
local terms energy: -88.380712
where:
bonds (distance) C4'-P energy: -20.270
bonds (distance) P-C4' energy: -19.601
flat angles C4'-P-C4' energy: -14.208
flat angles P-C4'-P energy: -12.022
tors. eta vs tors. theta energy: -22.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 404
Temperature: 1.100000
Total energy: -266.113089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.113089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.113089 (E_RNA)
where:
Base-Base interactions energy: -179.577
where: short stacking energy: -72.189
Base-Backbone interact. energy: -0.732
local terms energy: -85.804124
where:
bonds (distance) C4'-P energy: -15.403
bonds (distance) P-C4' energy: -18.818
flat angles C4'-P-C4' energy: -16.459
flat angles P-C4'-P energy: -13.330
tors. eta vs tors. theta energy: -21.795
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 404
Temperature: 1.150000
Total energy: -258.602202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.602202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.602202 (E_RNA)
where:
Base-Base interactions energy: -175.806
where: short stacking energy: -68.681
Base-Backbone interact. energy: -1.957
local terms energy: -80.838742
where:
bonds (distance) C4'-P energy: -14.032
bonds (distance) P-C4' energy: -15.632
flat angles C4'-P-C4' energy: -16.840
flat angles P-C4'-P energy: -10.118
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: 7, replica: 9
=====================================
Write number: 404
Temperature: 1.200000
Total energy: -164.749045 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -164.749045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -164.749045 (E_RNA)
where:
Base-Base interactions energy: -95.525
where: short stacking energy: -49.835
Base-Backbone interact. energy: -0.053
local terms energy: -69.170817
where:
bonds (distance) C4'-P energy: -14.496
bonds (distance) P-C4' energy: -18.692
flat angles C4'-P-C4' energy: -15.353
flat angles P-C4'-P energy: -8.206
tors. eta vs tors. theta energy: -12.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 404
Temperature: 1.250000
Total energy: -138.794660 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -138.794660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -138.794660 (E_RNA)
where:
Base-Base interactions energy: -75.117
where: short stacking energy: -38.051
Base-Backbone interact. energy: -0.595
local terms energy: -63.082811
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -14.917
flat angles C4'-P-C4' energy: -13.697
flat angles P-C4'-P energy: -11.781
tors. eta vs tors. theta energy: -7.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 404
Temperature: 1.300000
Total energy: -99.941300 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.941300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.941300 (E_RNA)
where:
Base-Base interactions energy: -45.457
where: short stacking energy: -19.013
Base-Backbone interact. energy: 1.718
local terms energy: -56.202394
where:
bonds (distance) C4'-P energy: -17.868
bonds (distance) P-C4' energy: -17.525
flat angles C4'-P-C4' energy: -6.127
flat angles P-C4'-P energy: -10.731
tors. eta vs tors. theta energy: -3.953
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 404
Temperature: 1.350000
Total energy: -153.966788 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.966788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.966788 (E_RNA)
where:
Base-Base interactions energy: -92.732
where: short stacking energy: -44.124
Base-Backbone interact. energy: 0.933
local terms energy: -62.167943
where:
bonds (distance) C4'-P energy: -11.804
bonds (distance) P-C4' energy: -13.653
flat angles C4'-P-C4' energy: -12.609
flat angles P-C4'-P energy: -11.420
tors. eta vs tors. theta energy: -12.682
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: 5
=====================================
Write number: 405
Temperature: 0.900000
Total energy: -282.479646 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.479646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.479646 (E_RNA)
where:
Base-Base interactions energy: -196.560
where: short stacking energy: -77.802
Base-Backbone interact. energy: -0.253
local terms energy: -85.666445
where:
bonds (distance) C4'-P energy: -17.535
bonds (distance) P-C4' energy: -14.727
flat angles C4'-P-C4' energy: -14.888
flat angles P-C4'-P energy: -13.077
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: 2, replica: 7
=====================================
Write number: 405
Temperature: 0.950000
Total energy: -284.431428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.431428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.431428 (E_RNA)
where:
Base-Base interactions energy: -195.180
where: short stacking energy: -80.132
Base-Backbone interact. energy: -0.353
local terms energy: -88.898394
where:
bonds (distance) C4'-P energy: -16.835
bonds (distance) P-C4' energy: -17.170
flat angles C4'-P-C4' energy: -19.221
flat angles P-C4'-P energy: -9.785
tors. eta vs tors. theta energy: -25.888
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 405
Temperature: 1.000000
Total energy: -280.369614 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.369614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.369614 (E_RNA)
where:
Base-Base interactions energy: -190.141
where: short stacking energy: -75.956
Base-Backbone interact. energy: -0.881
local terms energy: -89.347825
where:
bonds (distance) C4'-P energy: -19.269
bonds (distance) P-C4' energy: -16.483
flat angles C4'-P-C4' energy: -17.689
flat angles P-C4'-P energy: -12.920
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: 4, replica: 3
=====================================
Write number: 405
Temperature: 1.050000
Total energy: -273.294980 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.294980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.294980 (E_RNA)
where:
Base-Base interactions energy: -189.605
where: short stacking energy: -83.208
Base-Backbone interact. energy: -0.234
local terms energy: -83.456231
where:
bonds (distance) C4'-P energy: -16.532
bonds (distance) P-C4' energy: -14.224
flat angles C4'-P-C4' energy: -16.952
flat angles P-C4'-P energy: -13.744
tors. eta vs tors. theta energy: -22.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 405
Temperature: 1.100000
Total energy: -270.288985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.288985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.288985 (E_RNA)
where:
Base-Base interactions energy: -185.861
where: short stacking energy: -71.014
Base-Backbone interact. energy: -0.167
local terms energy: -84.261743
where:
bonds (distance) C4'-P energy: -13.914
bonds (distance) P-C4' energy: -18.998
flat angles C4'-P-C4' energy: -17.955
flat angles P-C4'-P energy: -9.761
tors. eta vs tors. theta energy: -23.633
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 405
Temperature: 1.150000
Total energy: -253.498408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.498408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.498408 (E_RNA)
where:
Base-Base interactions energy: -172.805
where: short stacking energy: -72.285
Base-Backbone interact. energy: -0.264
local terms energy: -80.429989
where:
bonds (distance) C4'-P energy: -15.583
bonds (distance) P-C4' energy: -16.402
flat angles C4'-P-C4' energy: -12.720
flat angles P-C4'-P energy: -15.818
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: 7, replica: 9
=====================================
Write number: 405
Temperature: 1.200000
Total energy: -151.740474 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.740474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.740474 (E_RNA)
where:
Base-Base interactions energy: -87.915
where: short stacking energy: -37.794
Base-Backbone interact. energy: -0.285
local terms energy: -63.540922
where:
bonds (distance) C4'-P energy: -16.466
bonds (distance) P-C4' energy: -20.622
flat angles C4'-P-C4' energy: -11.236
flat angles P-C4'-P energy: -8.589
tors. eta vs tors. theta energy: -6.628
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 405
Temperature: 1.250000
Total energy: -122.575111 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -122.575111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -122.575111 (E_RNA)
where:
Base-Base interactions energy: -71.570
where: short stacking energy: -35.786
Base-Backbone interact. energy: -0.558
local terms energy: -50.447185
where:
bonds (distance) C4'-P energy: -14.564
bonds (distance) P-C4' energy: -15.523
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -5.049
tors. eta vs tors. theta energy: 0.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 405
Temperature: 1.300000
Total energy: -79.212068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.212068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.212068 (E_RNA)
where:
Base-Base interactions energy: -19.616
where: short stacking energy: -16.974
Base-Backbone interact. energy: -0.453
local terms energy: -59.142120
where:
bonds (distance) C4'-P energy: -20.677
bonds (distance) P-C4' energy: -18.815
flat angles C4'-P-C4' energy: -15.326
flat angles P-C4'-P energy: -5.065
tors. eta vs tors. theta energy: 0.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 4
=====================================
Write number: 405
Temperature: 1.350000
Total energy: -148.176841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.176841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.176841 (E_RNA)
where:
Base-Base interactions energy: -86.751
where: short stacking energy: -29.986
Base-Backbone interact. energy: -1.179
local terms energy: -60.246238
where:
bonds (distance) C4'-P energy: -17.458
bonds (distance) P-C4' energy: -14.754
flat angles C4'-P-C4' energy: -16.926
flat angles P-C4'-P energy: -9.383
tors. eta vs tors. theta energy: -1.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 406
Temperature: 0.900000
Total energy: -288.273379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.273379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.273379 (E_RNA)
where:
Base-Base interactions energy: -198.317
where: short stacking energy: -89.178
Base-Backbone interact. energy: -0.003
local terms energy: -89.952916
where:
bonds (distance) C4'-P energy: -17.615
bonds (distance) P-C4' energy: -18.155
flat angles C4'-P-C4' energy: -16.473
flat angles P-C4'-P energy: -12.655
tors. eta vs tors. theta energy: -25.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 406
Temperature: 0.950000
Total energy: -285.732798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.732798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.732798 (E_RNA)
where:
Base-Base interactions energy: -190.851
where: short stacking energy: -79.506
Base-Backbone interact. energy: -0.297
local terms energy: -94.584592
where:
bonds (distance) C4'-P energy: -17.252
bonds (distance) P-C4' energy: -18.453
flat angles C4'-P-C4' energy: -19.230
flat angles P-C4'-P energy: -14.148
tors. eta vs tors. theta energy: -25.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 406
Temperature: 1.000000
Total energy: -279.580503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.580503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.580503 (E_RNA)
where:
Base-Base interactions energy: -188.473
where: short stacking energy: -72.811
Base-Backbone interact. energy: -1.652
local terms energy: -89.456104
where:
bonds (distance) C4'-P energy: -19.277
bonds (distance) P-C4' energy: -19.368
flat angles C4'-P-C4' energy: -15.324
flat angles P-C4'-P energy: -11.096
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: 4, replica: 3
=====================================
Write number: 406
Temperature: 1.050000
Total energy: -273.619308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.619308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.619308 (E_RNA)
where:
Base-Base interactions energy: -182.320
where: short stacking energy: -76.490
Base-Backbone interact. energy: -1.126
local terms energy: -90.173385
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -20.594
flat angles C4'-P-C4' energy: -19.564
flat angles P-C4'-P energy: -10.476
tors. eta vs tors. theta energy: -23.537
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 406
Temperature: 1.100000
Total energy: -263.731813 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.731813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.731813 (E_RNA)
where:
Base-Base interactions energy: -184.653
where: short stacking energy: -71.392
Base-Backbone interact. energy: 0.941
local terms energy: -80.019698
where:
bonds (distance) C4'-P energy: -14.563
bonds (distance) P-C4' energy: -16.825
flat angles C4'-P-C4' energy: -15.005
flat angles P-C4'-P energy: -11.351
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: 6, replica: 6
=====================================
Write number: 406
Temperature: 1.150000
Total energy: -261.244209 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.244209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.244209 (E_RNA)
where:
Base-Base interactions energy: -181.923
where: short stacking energy: -64.216
Base-Backbone interact. energy: -0.371
local terms energy: -78.949884
where:
bonds (distance) C4'-P energy: -16.113
bonds (distance) P-C4' energy: -17.558
flat angles C4'-P-C4' energy: -13.982
flat angles P-C4'-P energy: -13.871
tors. eta vs tors. theta energy: -17.425
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: 1
=====================================
Write number: 406
Temperature: 1.200000
Total energy: -153.716280 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.716280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.716280 (E_RNA)
where:
Base-Base interactions energy: -99.498
where: short stacking energy: -31.160
Base-Backbone interact. energy: -0.669
local terms energy: -53.549072
where:
bonds (distance) C4'-P energy: -11.240
bonds (distance) P-C4' energy: -19.567
flat angles C4'-P-C4' energy: -10.597
flat angles P-C4'-P energy: -9.762
tors. eta vs tors. theta energy: -2.383
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 406
Temperature: 1.250000
Total energy: -155.437445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.437445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.437445 (E_RNA)
where:
Base-Base interactions energy: -95.263
where: short stacking energy: -41.184
Base-Backbone interact. energy: -0.319
local terms energy: -59.855497
where:
bonds (distance) C4'-P energy: -14.891
bonds (distance) P-C4' energy: -13.735
flat angles C4'-P-C4' energy: -12.743
flat angles P-C4'-P energy: -9.878
tors. eta vs tors. theta energy: -8.608
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: 4
=====================================
Write number: 406
Temperature: 1.300000
Total energy: -155.211730 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.211730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.211730 (E_RNA)
where:
Base-Base interactions energy: -89.468
where: short stacking energy: -36.214
Base-Backbone interact. energy: -0.014
local terms energy: -65.729980
where:
bonds (distance) C4'-P energy: -13.813
bonds (distance) P-C4' energy: -14.614
flat angles C4'-P-C4' energy: -16.989
flat angles P-C4'-P energy: -9.377
tors. eta vs tors. theta energy: -10.937
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: 2
=====================================
Write number: 406
Temperature: 1.350000
Total energy: -77.329204 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.329204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.329204 (E_RNA)
where:
Base-Base interactions energy: -28.259
where: short stacking energy: -27.468
Base-Backbone interact. energy: 0.575
local terms energy: -49.645311
where:
bonds (distance) C4'-P energy: -12.991
bonds (distance) P-C4' energy: -13.872
flat angles C4'-P-C4' energy: -14.987
flat angles P-C4'-P energy: -10.418
tors. eta vs tors. theta energy: 2.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 407
Temperature: 0.900000
Total energy: -289.929971 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.929971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.929971 (E_RNA)
where:
Base-Base interactions energy: -195.732
where: short stacking energy: -80.713
Base-Backbone interact. energy: -0.433
local terms energy: -93.765074
where:
bonds (distance) C4'-P energy: -20.998
bonds (distance) P-C4' energy: -17.053
flat angles C4'-P-C4' energy: -16.724
flat angles P-C4'-P energy: -13.440
tors. eta vs tors. theta energy: -25.550
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: 2, replica: 10
=====================================
Write number: 407
Temperature: 0.950000
Total energy: -290.260864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.260864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.260864 (E_RNA)
where:
Base-Base interactions energy: -201.268
where: short stacking energy: -80.349
Base-Backbone interact. energy: -0.010
local terms energy: -88.983174
where:
bonds (distance) C4'-P energy: -18.096
bonds (distance) P-C4' energy: -16.233
flat angles C4'-P-C4' energy: -19.761
flat angles P-C4'-P energy: -9.453
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: 3, replica: 7
=====================================
Write number: 407
Temperature: 1.000000
Total energy: -274.783691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.783691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.783691 (E_RNA)
where:
Base-Base interactions energy: -192.151
where: short stacking energy: -78.460
Base-Backbone interact. energy: -0.092
local terms energy: -82.540637
where:
bonds (distance) C4'-P energy: -10.508
bonds (distance) P-C4' energy: -20.634
flat angles C4'-P-C4' energy: -17.659
flat angles P-C4'-P energy: -9.876
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: 4, replica: 8
=====================================
Write number: 407
Temperature: 1.050000
Total energy: -268.774629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.774629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.774629 (E_RNA)
where:
Base-Base interactions energy: -187.112
where: short stacking energy: -72.219
Base-Backbone interact. energy: -0.095
local terms energy: -81.567366
where:
bonds (distance) C4'-P energy: -14.711
bonds (distance) P-C4' energy: -13.121
flat angles C4'-P-C4' energy: -18.777
flat angles P-C4'-P energy: -13.369
tors. eta vs tors. theta energy: -21.590
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 407
Temperature: 1.100000
Total energy: -253.666102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.666102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.666102 (E_RNA)
where:
Base-Base interactions energy: -180.058
where: short stacking energy: -75.362
Base-Backbone interact. energy: -0.028
local terms energy: -73.580343
where:
bonds (distance) C4'-P energy: -12.682
bonds (distance) P-C4' energy: -14.639
flat angles C4'-P-C4' energy: -16.773
flat angles P-C4'-P energy: -9.352
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: 6, replica: 6
=====================================
Write number: 407
Temperature: 1.150000
Total energy: -251.951406 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.951406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.951406 (E_RNA)
where:
Base-Base interactions energy: -178.762
where: short stacking energy: -75.438
Base-Backbone interact. energy: -0.372
local terms energy: -72.817763
where:
bonds (distance) C4'-P energy: -15.613
bonds (distance) P-C4' energy: -14.156
flat angles C4'-P-C4' energy: -11.637
flat angles P-C4'-P energy: -13.752
tors. eta vs tors. theta energy: -17.661
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 407
Temperature: 1.200000
Total energy: -170.907477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.907477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.907477 (E_RNA)
where:
Base-Base interactions energy: -103.819
where: short stacking energy: -51.402
Base-Backbone interact. energy: 1.356
local terms energy: -68.444155
where:
bonds (distance) C4'-P energy: -13.203
bonds (distance) P-C4' energy: -20.063
flat angles C4'-P-C4' energy: -16.087
flat angles P-C4'-P energy: -10.448
tors. eta vs tors. theta energy: -8.643
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 4
=====================================
Write number: 407
Temperature: 1.250000
Total energy: -168.338656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.338656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.338656 (E_RNA)
where:
Base-Base interactions energy: -97.580
where: short stacking energy: -46.566
Base-Backbone interact. energy: -0.591
local terms energy: -70.168249
where:
bonds (distance) C4'-P energy: -20.113
bonds (distance) P-C4' energy: -15.165
flat angles C4'-P-C4' energy: -14.382
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -10.814
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 407
Temperature: 1.300000
Total energy: -151.563462 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -151.563462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -151.563462 (E_RNA)
where:
Base-Base interactions energy: -82.785
where: short stacking energy: -34.124
Base-Backbone interact. energy: -0.907
local terms energy: -67.870820
where:
bonds (distance) C4'-P energy: -15.380
bonds (distance) P-C4' energy: -19.400
flat angles C4'-P-C4' energy: -12.488
flat angles P-C4'-P energy: -12.364
tors. eta vs tors. theta energy: -8.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 407
Temperature: 1.350000
Total energy: -80.193938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.193938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.193938 (E_RNA)
where:
Base-Base interactions energy: -23.243
where: short stacking energy: -22.541
Base-Backbone interact. energy: 0.095
local terms energy: -57.046157
where:
bonds (distance) C4'-P energy: -15.634
bonds (distance) P-C4' energy: -16.266
flat angles C4'-P-C4' energy: -11.621
flat angles P-C4'-P energy: -11.525
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: 5
=====================================
Write number: 408
Temperature: 0.900000
Total energy: -286.008912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.008912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.008912 (E_RNA)
where:
Base-Base interactions energy: -198.197
where: short stacking energy: -80.605
Base-Backbone interact. energy: -0.087
local terms energy: -87.725611
where:
bonds (distance) C4'-P energy: -17.037
bonds (distance) P-C4' energy: -15.275
flat angles C4'-P-C4' energy: -14.094
flat angles P-C4'-P energy: -14.020
tors. eta vs tors. theta energy: -27.300
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 10
=====================================
Write number: 408
Temperature: 0.950000
Total energy: -268.463970 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.463970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.463970 (E_RNA)
where:
Base-Base interactions energy: -182.715
where: short stacking energy: -79.810
Base-Backbone interact. energy: -0.148
local terms energy: -85.601000
where:
bonds (distance) C4'-P energy: -12.474
bonds (distance) P-C4' energy: -15.753
flat angles C4'-P-C4' energy: -17.438
flat angles P-C4'-P energy: -14.221
tors. eta vs tors. theta energy: -25.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 8
=====================================
Write number: 408
Temperature: 1.000000
Total energy: -282.065519 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.065519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.065519 (E_RNA)
where:
Base-Base interactions energy: -191.166
where: short stacking energy: -81.356
Base-Backbone interact. energy: -0.290
local terms energy: -90.609928
where:
bonds (distance) C4'-P energy: -18.638
bonds (distance) P-C4' energy: -18.135
flat angles C4'-P-C4' energy: -15.141
flat angles P-C4'-P energy: -13.427
tors. eta vs tors. theta energy: -25.269
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: 7
=====================================
Write number: 408
Temperature: 1.050000
Total energy: -275.927753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.927753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.927753 (E_RNA)
where:
Base-Base interactions energy: -176.863
where: short stacking energy: -80.715
Base-Backbone interact. energy: -0.918
local terms energy: -98.146938
where:
bonds (distance) C4'-P energy: -19.445
bonds (distance) P-C4' energy: -17.374
flat angles C4'-P-C4' energy: -18.983
flat angles P-C4'-P energy: -14.882
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: 5, replica: 6
=====================================
Write number: 408
Temperature: 1.100000
Total energy: -268.443707 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.443707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.443707 (E_RNA)
where:
Base-Base interactions energy: -186.583
where: short stacking energy: -77.494
Base-Backbone interact. energy: -0.027
local terms energy: -81.833841
where:
bonds (distance) C4'-P energy: -13.580
bonds (distance) P-C4' energy: -17.750
flat angles C4'-P-C4' energy: -18.313
flat angles P-C4'-P energy: -11.413
tors. eta vs tors. theta energy: -20.778
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 408
Temperature: 1.150000
Total energy: -249.833473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.833473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.833473 (E_RNA)
where:
Base-Base interactions energy: -166.830
where: short stacking energy: -71.562
Base-Backbone interact. energy: -0.509
local terms energy: -82.494803
where:
bonds (distance) C4'-P energy: -19.066
bonds (distance) P-C4' energy: -15.070
flat angles C4'-P-C4' energy: -15.200
flat angles P-C4'-P energy: -11.896
tors. eta vs tors. theta energy: -21.263
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 408
Temperature: 1.200000
Total energy: -214.203445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -214.203445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -214.203445 (E_RNA)
where:
Base-Base interactions energy: -144.738
where: short stacking energy: -63.697
Base-Backbone interact. energy: -0.209
local terms energy: -69.255931
where:
bonds (distance) C4'-P energy: -11.538
bonds (distance) P-C4' energy: -13.232
flat angles C4'-P-C4' energy: -12.467
flat angles P-C4'-P energy: -15.423
tors. eta vs tors. theta energy: -16.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 408
Temperature: 1.250000
Total energy: -148.819376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -148.819376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -148.819376 (E_RNA)
where:
Base-Base interactions energy: -88.918
where: short stacking energy: -41.885
Base-Backbone interact. energy: 0.772
local terms energy: -60.674070
where:
bonds (distance) C4'-P energy: -9.063
bonds (distance) P-C4' energy: -19.759
flat angles C4'-P-C4' energy: -17.021
flat angles P-C4'-P energy: -11.079
tors. eta vs tors. theta energy: -3.752
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: 2
=====================================
Write number: 408
Temperature: 1.300000
Total energy: -95.968169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.968169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.968169 (E_RNA)
where:
Base-Base interactions energy: -30.620
where: short stacking energy: -27.520
Base-Backbone interact. energy: 0.396
local terms energy: -65.744122
where:
bonds (distance) C4'-P energy: -15.112
bonds (distance) P-C4' energy: -17.622
flat angles C4'-P-C4' energy: -16.583
flat angles P-C4'-P energy: -9.309
tors. eta vs tors. theta energy: -7.118
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: 9
=====================================
Write number: 408
Temperature: 1.350000
Total energy: -95.795610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.795610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.795610 (E_RNA)
where:
Base-Base interactions energy: -40.216
where: short stacking energy: -40.216
Base-Backbone interact. energy: 1.648
local terms energy: -57.227649
where:
bonds (distance) C4'-P energy: -11.049
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -12.778
flat angles P-C4'-P energy: -5.899
tors. eta vs tors. theta energy: -9.484
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 409
Temperature: 0.900000
Total energy: -294.551093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.551093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.551093 (E_RNA)
where:
Base-Base interactions energy: -198.281
where: short stacking energy: -79.044
Base-Backbone interact. energy: -1.872
local terms energy: -94.398839
where:
bonds (distance) C4'-P energy: -19.017
bonds (distance) P-C4' energy: -20.578
flat angles C4'-P-C4' energy: -19.089
flat angles P-C4'-P energy: -12.770
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: 2, replica: 8
=====================================
Write number: 409
Temperature: 0.950000
Total energy: -282.651733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.651733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.651733 (E_RNA)
where:
Base-Base interactions energy: -194.880
where: short stacking energy: -77.490
Base-Backbone interact. energy: -0.018
local terms energy: -87.753573
where:
bonds (distance) C4'-P energy: -12.446
bonds (distance) P-C4' energy: -18.916
flat angles C4'-P-C4' energy: -18.413
flat angles P-C4'-P energy: -12.920
tors. eta vs tors. theta energy: -25.059
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 409
Temperature: 1.000000
Total energy: -267.301910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.301910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.301910 (E_RNA)
where:
Base-Base interactions energy: -180.244
where: short stacking energy: -74.504
Base-Backbone interact. energy: -0.732
local terms energy: -86.325649
where:
bonds (distance) C4'-P energy: -18.341
bonds (distance) P-C4' energy: -15.402
flat angles C4'-P-C4' energy: -16.032
flat angles P-C4'-P energy: -14.061
tors. eta vs tors. theta energy: -22.489
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 409
Temperature: 1.050000
Total energy: -265.284586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.284586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.284586 (E_RNA)
where:
Base-Base interactions energy: -177.624
where: short stacking energy: -81.856
Base-Backbone interact. energy: -0.073
local terms energy: -87.587409
where:
bonds (distance) C4'-P energy: -14.802
bonds (distance) P-C4' energy: -17.223
flat angles C4'-P-C4' energy: -17.778
flat angles P-C4'-P energy: -12.705
tors. eta vs tors. theta energy: -25.080
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 409
Temperature: 1.100000
Total energy: -267.928025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.928025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.928025 (E_RNA)
where:
Base-Base interactions energy: -187.150
where: short stacking energy: -74.881
Base-Backbone interact. energy: -0.242
local terms energy: -80.535372
where:
bonds (distance) C4'-P energy: -13.295
bonds (distance) P-C4' energy: -15.437
flat angles C4'-P-C4' energy: -17.814
flat angles P-C4'-P energy: -11.601
tors. eta vs tors. theta energy: -22.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 409
Temperature: 1.150000
Total energy: -247.687355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.687355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.687355 (E_RNA)
where:
Base-Base interactions energy: -174.475
where: short stacking energy: -69.501
Base-Backbone interact. energy: -0.413
local terms energy: -72.799912
where:
bonds (distance) C4'-P energy: -10.703
bonds (distance) P-C4' energy: -17.896
flat angles C4'-P-C4' energy: -11.505
flat angles P-C4'-P energy: -13.397
tors. eta vs tors. theta energy: -19.298
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: 409
Temperature: 1.200000
Total energy: -243.312855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.312855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.312855 (E_RNA)
where:
Base-Base interactions energy: -161.750
where: short stacking energy: -63.090
Base-Backbone interact. energy: -0.741
local terms energy: -80.822144
where:
bonds (distance) C4'-P energy: -11.559
bonds (distance) P-C4' energy: -20.089
flat angles C4'-P-C4' energy: -18.139
flat angles P-C4'-P energy: -9.682
tors. eta vs tors. theta energy: -21.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 409
Temperature: 1.250000
Total energy: -153.701164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.701164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.701164 (E_RNA)
where:
Base-Base interactions energy: -88.310
where: short stacking energy: -41.068
Base-Backbone interact. energy: -0.540
local terms energy: -64.850748
where:
bonds (distance) C4'-P energy: -13.787
bonds (distance) P-C4' energy: -14.126
flat angles C4'-P-C4' energy: -17.798
flat angles P-C4'-P energy: -10.603
tors. eta vs tors. theta energy: -8.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 409
Temperature: 1.300000
Total energy: -88.692191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.692191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.692191 (E_RNA)
where:
Base-Base interactions energy: -35.262
where: short stacking energy: -24.009
Base-Backbone interact. energy: -0.184
local terms energy: -53.246482
where:
bonds (distance) C4'-P energy: -17.500
bonds (distance) P-C4' energy: -12.076
flat angles C4'-P-C4' energy: -18.719
flat angles P-C4'-P energy: -8.353
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: 10, replica: 9
=====================================
Write number: 409
Temperature: 1.350000
Total energy: -91.820512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.820512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.820512 (E_RNA)
where:
Base-Base interactions energy: -32.444
where: short stacking energy: -23.200
Base-Backbone interact. energy: -0.160
local terms energy: -59.216610
where:
bonds (distance) C4'-P energy: -17.050
bonds (distance) P-C4' energy: -16.330
flat angles C4'-P-C4' energy: -10.978
flat angles P-C4'-P energy: -10.532
tors. eta vs tors. theta energy: -4.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 410
Temperature: 0.900000
Total energy: -289.243437 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.243437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.243437 (E_RNA)
where:
Base-Base interactions energy: -196.069
where: short stacking energy: -80.849
Base-Backbone interact. energy: -0.286
local terms energy: -92.888350
where:
bonds (distance) C4'-P energy: -16.748
bonds (distance) P-C4' energy: -16.897
flat angles C4'-P-C4' energy: -21.484
flat angles P-C4'-P energy: -13.802
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: 5
=====================================
Write number: 410
Temperature: 0.950000
Total energy: -284.040016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.040016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.040016 (E_RNA)
where:
Base-Base interactions energy: -190.618
where: short stacking energy: -79.741
Base-Backbone interact. energy: -2.339
local terms energy: -91.082522
where:
bonds (distance) C4'-P energy: -16.751
bonds (distance) P-C4' energy: -19.339
flat angles C4'-P-C4' energy: -18.829
flat angles P-C4'-P energy: -14.730
tors. eta vs tors. theta energy: -21.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 410
Temperature: 1.000000
Total energy: -267.915670 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.915670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.915670 (E_RNA)
where:
Base-Base interactions energy: -187.204
where: short stacking energy: -71.510
Base-Backbone interact. energy: -0.496
local terms energy: -80.215804
where:
bonds (distance) C4'-P energy: -15.827
bonds (distance) P-C4' energy: -19.319
flat angles C4'-P-C4' energy: -16.287
flat angles P-C4'-P energy: -12.221
tors. eta vs tors. theta energy: -16.561
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 410
Temperature: 1.050000
Total energy: -283.282694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.282694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.282694 (E_RNA)
where:
Base-Base interactions energy: -191.635
where: short stacking energy: -85.060
Base-Backbone interact. energy: -0.315
local terms energy: -91.332909
where:
bonds (distance) C4'-P energy: -15.119
bonds (distance) P-C4' energy: -21.653
flat angles C4'-P-C4' energy: -19.268
flat angles P-C4'-P energy: -12.229
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: 5, replica: 7
=====================================
Write number: 410
Temperature: 1.100000
Total energy: -277.510082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.510082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.510082 (E_RNA)
where:
Base-Base interactions energy: -184.557
where: short stacking energy: -74.189
Base-Backbone interact. energy: -0.242
local terms energy: -92.711539
where:
bonds (distance) C4'-P energy: -18.651
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -18.848
flat angles P-C4'-P energy: -14.982
tors. eta vs tors. theta energy: -24.239
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: 410
Temperature: 1.150000
Total energy: -248.205183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.205183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.205183 (E_RNA)
where:
Base-Base interactions energy: -168.231
where: short stacking energy: -65.638
Base-Backbone interact. energy: -0.015
local terms energy: -79.959502
where:
bonds (distance) C4'-P energy: -17.029
bonds (distance) P-C4' energy: -17.494
flat angles C4'-P-C4' energy: -17.339
flat angles P-C4'-P energy: -8.982
tors. eta vs tors. theta energy: -19.116
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 410
Temperature: 1.200000
Total energy: -242.747525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.747525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.747525 (E_RNA)
where:
Base-Base interactions energy: -166.523
where: short stacking energy: -65.403
Base-Backbone interact. energy: -0.103
local terms energy: -76.121451
where:
bonds (distance) C4'-P energy: -12.004
bonds (distance) P-C4' energy: -17.693
flat angles C4'-P-C4' energy: -13.309
flat angles P-C4'-P energy: -10.134
tors. eta vs tors. theta energy: -22.982
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: 8, replica: 1
=====================================
Write number: 410
Temperature: 1.250000
Total energy: -145.653826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -145.653826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -145.653826 (E_RNA)
where:
Base-Base interactions energy: -85.828
where: short stacking energy: -32.325
Base-Backbone interact. energy: -0.186
local terms energy: -59.638992
where:
bonds (distance) C4'-P energy: -18.361
bonds (distance) P-C4' energy: -16.420
flat angles C4'-P-C4' energy: -10.768
flat angles P-C4'-P energy: -7.963
tors. eta vs tors. theta energy: -6.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 410
Temperature: 1.300000
Total energy: -90.974000 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.974000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.974000 (E_RNA)
where:
Base-Base interactions energy: -34.462
where: short stacking energy: -23.956
Base-Backbone interact. energy: -0.155
local terms energy: -56.357162
where:
bonds (distance) C4'-P energy: -12.934
bonds (distance) P-C4' energy: -15.794
flat angles C4'-P-C4' energy: -15.283
flat angles P-C4'-P energy: -13.326
tors. eta vs tors. theta energy: 0.980
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 410
Temperature: 1.350000
Total energy: -78.524285 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.524285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.524285 (E_RNA)
where:
Base-Base interactions energy: -23.739
where: short stacking energy: -18.935
Base-Backbone interact. energy: -0.320
local terms energy: -54.465265
where:
bonds (distance) C4'-P energy: -15.094
bonds (distance) P-C4' energy: -21.032
flat angles C4'-P-C4' energy: -13.239
flat angles P-C4'-P energy: -7.397
tors. eta vs tors. theta energy: 2.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 411
Temperature: 0.900000
Total energy: -287.402129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.402129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.402129 (E_RNA)
where:
Base-Base interactions energy: -194.481
where: short stacking energy: -78.611
Base-Backbone interact. energy: -0.467
local terms energy: -92.453707
where:
bonds (distance) C4'-P energy: -20.343
bonds (distance) P-C4' energy: -18.858
flat angles C4'-P-C4' energy: -18.556
flat angles P-C4'-P energy: -10.514
tors. eta vs tors. theta energy: -24.182
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: 6
=====================================
Write number: 411
Temperature: 0.950000
Total energy: -286.246402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.246402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.246402 (E_RNA)
where:
Base-Base interactions energy: -194.479
where: short stacking energy: -81.776
Base-Backbone interact. energy: -1.118
local terms energy: -90.649924
where:
bonds (distance) C4'-P energy: -16.614
bonds (distance) P-C4' energy: -19.528
flat angles C4'-P-C4' energy: -17.885
flat angles P-C4'-P energy: -9.119
tors. eta vs tors. theta energy: -27.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 411
Temperature: 1.000000
Total energy: -281.718830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.718830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.718830 (E_RNA)
where:
Base-Base interactions energy: -192.549
where: short stacking energy: -81.104
Base-Backbone interact. energy: -1.922
local terms energy: -87.247328
where:
bonds (distance) C4'-P energy: -15.646
bonds (distance) P-C4' energy: -14.670
flat angles C4'-P-C4' energy: -20.930
flat angles P-C4'-P energy: -14.906
tors. eta vs tors. theta energy: -21.095
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 411
Temperature: 1.050000
Total energy: -274.728906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.728906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.728906 (E_RNA)
where:
Base-Base interactions energy: -187.238
where: short stacking energy: -77.514
Base-Backbone interact. energy: -1.147
local terms energy: -86.344186
where:
bonds (distance) C4'-P energy: -16.353
bonds (distance) P-C4' energy: -14.918
flat angles C4'-P-C4' energy: -19.982
flat angles P-C4'-P energy: -14.276
tors. eta vs tors. theta energy: -20.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 411
Temperature: 1.100000
Total energy: -264.887323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.887323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.887323 (E_RNA)
where:
Base-Base interactions energy: -184.824
where: short stacking energy: -71.518
Base-Backbone interact. energy: -0.192
local terms energy: -79.872012
where:
bonds (distance) C4'-P energy: -16.788
bonds (distance) P-C4' energy: -15.948
flat angles C4'-P-C4' energy: -16.799
flat angles P-C4'-P energy: -10.310
tors. eta vs tors. theta energy: -20.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 411
Temperature: 1.150000
Total energy: -259.526872 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.526872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.526872 (E_RNA)
where:
Base-Base interactions energy: -189.371
where: short stacking energy: -79.994
Base-Backbone interact. energy: -0.956
local terms energy: -69.199768
where:
bonds (distance) C4'-P energy: -15.192
bonds (distance) P-C4' energy: -10.365
flat angles C4'-P-C4' energy: -17.085
flat angles P-C4'-P energy: -8.503
tors. eta vs tors. theta energy: -18.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 411
Temperature: 1.200000
Total energy: -242.304164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.304164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.304164 (E_RNA)
where:
Base-Base interactions energy: -160.850
where: short stacking energy: -58.615
Base-Backbone interact. energy: 0.152
local terms energy: -81.605787
where:
bonds (distance) C4'-P energy: -16.771
bonds (distance) P-C4' energy: -14.729
flat angles C4'-P-C4' energy: -18.957
flat angles P-C4'-P energy: -12.843
tors. eta vs tors. theta energy: -18.305
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 411
Temperature: 1.250000
Total energy: -157.368992 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -157.368992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -157.368992 (E_RNA)
where:
Base-Base interactions energy: -103.506
where: short stacking energy: -36.388
Base-Backbone interact. energy: -0.649
local terms energy: -53.213622
where:
bonds (distance) C4'-P energy: -13.953
bonds (distance) P-C4' energy: -11.288
flat angles C4'-P-C4' energy: -14.630
flat angles P-C4'-P energy: -10.104
tors. eta vs tors. theta energy: -3.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 411
Temperature: 1.300000
Total energy: -86.917028 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.917028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.917028 (E_RNA)
where:
Base-Base interactions energy: -28.813
where: short stacking energy: -24.821
Base-Backbone interact. energy: -0.087
local terms energy: -58.016246
where:
bonds (distance) C4'-P energy: -17.543
bonds (distance) P-C4' energy: -20.159
flat angles C4'-P-C4' energy: -18.389
flat angles P-C4'-P energy: 0.429
tors. eta vs tors. theta energy: -2.354
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 411
Temperature: 1.350000
Total energy: -132.884220 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.884220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.884220 (E_RNA)
where:
Base-Base interactions energy: -73.536
where: short stacking energy: -33.623
Base-Backbone interact. energy: 0.686
local terms energy: -60.034771
where:
bonds (distance) C4'-P energy: -8.918
bonds (distance) P-C4' energy: -18.498
flat angles C4'-P-C4' energy: -17.705
flat angles P-C4'-P energy: -13.268
tors. eta vs tors. theta energy: -1.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 412
Temperature: 0.900000
Total energy: -276.927039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.927039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.927039 (E_RNA)
where:
Base-Base interactions energy: -187.462
where: short stacking energy: -75.481
Base-Backbone interact. energy: -0.155
local terms energy: -89.309257
where:
bonds (distance) C4'-P energy: -13.453
bonds (distance) P-C4' energy: -20.097
flat angles C4'-P-C4' energy: -20.100
flat angles P-C4'-P energy: -13.265
tors. eta vs tors. theta energy: -22.394
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: 2, replica: 8
=====================================
Write number: 412
Temperature: 0.950000
Total energy: -280.313805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.313805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.313805 (E_RNA)
where:
Base-Base interactions energy: -194.541
where: short stacking energy: -81.933
Base-Backbone interact. energy: -0.100
local terms energy: -85.672723
where:
bonds (distance) C4'-P energy: -16.648
bonds (distance) P-C4' energy: -17.425
flat angles C4'-P-C4' energy: -14.998
flat angles P-C4'-P energy: -11.207
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: 3, replica: 5
=====================================
Write number: 412
Temperature: 1.000000
Total energy: -283.927186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.927186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.927186 (E_RNA)
where:
Base-Base interactions energy: -187.951
where: short stacking energy: -75.392
Base-Backbone interact. energy: -1.891
local terms energy: -94.085177
where:
bonds (distance) C4'-P energy: -17.899
bonds (distance) P-C4' energy: -20.842
flat angles C4'-P-C4' energy: -18.675
flat angles P-C4'-P energy: -12.596
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: 4, replica: 7
=====================================
Write number: 412
Temperature: 1.050000
Total energy: -274.470344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.470344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.470344 (E_RNA)
where:
Base-Base interactions energy: -183.953
where: short stacking energy: -69.430
Base-Backbone interact. energy: -0.101
local terms energy: -90.416881
where:
bonds (distance) C4'-P energy: -16.375
bonds (distance) P-C4' energy: -18.703
flat angles C4'-P-C4' energy: -19.797
flat angles P-C4'-P energy: -13.758
tors. eta vs tors. theta energy: -21.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 412
Temperature: 1.100000
Total energy: -278.624996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.624996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.624996 (E_RNA)
where:
Base-Base interactions energy: -188.348
where: short stacking energy: -70.761
Base-Backbone interact. energy: -0.304
local terms energy: -89.972822
where:
bonds (distance) C4'-P energy: -18.234
bonds (distance) P-C4' energy: -16.755
flat angles C4'-P-C4' energy: -18.632
flat angles P-C4'-P energy: -14.386
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: 6, replica: 10
=====================================
Write number: 412
Temperature: 1.150000
Total energy: -264.879586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.879586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.879586 (E_RNA)
where:
Base-Base interactions energy: -186.727
where: short stacking energy: -76.808
Base-Backbone interact. energy: -0.040
local terms energy: -78.112211
where:
bonds (distance) C4'-P energy: -12.027
bonds (distance) P-C4' energy: -19.527
flat angles C4'-P-C4' energy: -18.272
flat angles P-C4'-P energy: -8.354
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: 7, replica: 3
=====================================
Write number: 412
Temperature: 1.200000
Total energy: -251.542445 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.542445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.542445 (E_RNA)
where:
Base-Base interactions energy: -178.442
where: short stacking energy: -69.763
Base-Backbone interact. energy: -0.422
local terms energy: -72.678220
where:
bonds (distance) C4'-P energy: -8.447
bonds (distance) P-C4' energy: -14.011
flat angles C4'-P-C4' energy: -14.424
flat angles P-C4'-P energy: -11.893
tors. eta vs tors. theta energy: -23.903
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 412
Temperature: 1.250000
Total energy: -185.789255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.789255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.789255 (E_RNA)
where:
Base-Base interactions energy: -113.058
where: short stacking energy: -41.533
Base-Backbone interact. energy: -0.653
local terms energy: -72.077904
where:
bonds (distance) C4'-P energy: -17.873
bonds (distance) P-C4' energy: -16.775
flat angles C4'-P-C4' energy: -16.564
flat angles P-C4'-P energy: -10.765
tors. eta vs tors. theta energy: -10.101
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 412
Temperature: 1.300000
Total energy: -85.392986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.392986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.392986 (E_RNA)
where:
Base-Base interactions energy: -38.696
where: short stacking energy: -38.696
Base-Backbone interact. energy: 5.844
local terms energy: -52.541430
where:
bonds (distance) C4'-P energy: -13.964
bonds (distance) P-C4' energy: -15.532
flat angles C4'-P-C4' energy: -8.003
flat angles P-C4'-P energy: -9.104
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: 2
=====================================
Write number: 412
Temperature: 1.350000
Total energy: -85.560161 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.560161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.560161 (E_RNA)
where:
Base-Base interactions energy: -24.766
where: short stacking energy: -23.980
Base-Backbone interact. energy: -0.085
local terms energy: -60.709580
where:
bonds (distance) C4'-P energy: -17.369
bonds (distance) P-C4' energy: -19.196
flat angles C4'-P-C4' energy: -17.862
flat angles P-C4'-P energy: -3.647
tors. eta vs tors. theta energy: -2.636
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 413
Temperature: 0.900000
Total energy: -284.640092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.640092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.640092 (E_RNA)
where:
Base-Base interactions energy: -192.650
where: short stacking energy: -81.054
Base-Backbone interact. energy: -0.770
local terms energy: -91.220470
where:
bonds (distance) C4'-P energy: -15.376
bonds (distance) P-C4' energy: -19.365
flat angles C4'-P-C4' energy: -17.837
flat angles P-C4'-P energy: -13.648
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: 2, replica: 8
=====================================
Write number: 413
Temperature: 0.950000
Total energy: -276.776608 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.776608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.776608 (E_RNA)
where:
Base-Base interactions energy: -193.904
where: short stacking energy: -80.331
Base-Backbone interact. energy: -0.183
local terms energy: -82.690047
where:
bonds (distance) C4'-P energy: -12.323
bonds (distance) P-C4' energy: -20.097
flat angles C4'-P-C4' energy: -16.525
flat angles P-C4'-P energy: -12.164
tors. eta vs tors. theta energy: -21.580
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 413
Temperature: 1.000000
Total energy: -276.193542 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.193542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.193542 (E_RNA)
where:
Base-Base interactions energy: -188.502
where: short stacking energy: -77.626
Base-Backbone interact. energy: -0.273
local terms energy: -87.418541
where:
bonds (distance) C4'-P energy: -13.990
bonds (distance) P-C4' energy: -16.112
flat angles C4'-P-C4' energy: -18.297
flat angles P-C4'-P energy: -16.460
tors. eta vs tors. theta energy: -22.560
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 413
Temperature: 1.050000
Total energy: -272.512486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.512486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.512486 (E_RNA)
where:
Base-Base interactions energy: -194.236
where: short stacking energy: -70.386
Base-Backbone interact. energy: 0.161
local terms energy: -78.437080
where:
bonds (distance) C4'-P energy: -7.819
bonds (distance) P-C4' energy: -18.540
flat angles C4'-P-C4' energy: -18.489
flat angles P-C4'-P energy: -14.873
tors. eta vs tors. theta energy: -18.716
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: 7
=====================================
Write number: 413
Temperature: 1.100000
Total energy: -267.221192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.221192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.221192 (E_RNA)
where:
Base-Base interactions energy: -194.247
where: short stacking energy: -72.736
Base-Backbone interact. energy: 0.933
local terms energy: -73.906858
where:
bonds (distance) C4'-P energy: -11.572
bonds (distance) P-C4' energy: -14.879
flat angles C4'-P-C4' energy: -18.283
flat angles P-C4'-P energy: -9.896
tors. eta vs tors. theta energy: -19.277
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 413
Temperature: 1.150000
Total energy: -260.712314 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.712314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.712314 (E_RNA)
where:
Base-Base interactions energy: -185.976
where: short stacking energy: -71.975
Base-Backbone interact. energy: 0.393
local terms energy: -75.128966
where:
bonds (distance) C4'-P energy: -16.548
bonds (distance) P-C4' energy: -17.672
flat angles C4'-P-C4' energy: -16.216
flat angles P-C4'-P energy: -6.839
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: 10
=====================================
Write number: 413
Temperature: 1.200000
Total energy: -254.149596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.149596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.149596 (E_RNA)
where:
Base-Base interactions energy: -174.166
where: short stacking energy: -67.463
Base-Backbone interact. energy: -0.462
local terms energy: -79.521077
where:
bonds (distance) C4'-P energy: -13.565
bonds (distance) P-C4' energy: -14.975
flat angles C4'-P-C4' energy: -12.738
flat angles P-C4'-P energy: -14.201
tors. eta vs tors. theta energy: -24.041
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 413
Temperature: 1.250000
Total energy: -170.984207 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -170.984207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -170.984207 (E_RNA)
where:
Base-Base interactions energy: -108.361
where: short stacking energy: -42.354
Base-Backbone interact. energy: -1.143
local terms energy: -61.480286
where:
bonds (distance) C4'-P energy: -14.895
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -13.392
flat angles P-C4'-P energy: -8.071
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: 9, replica: 9
=====================================
Write number: 413
Temperature: 1.300000
Total energy: -160.947632 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.947632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.947632 (E_RNA)
where:
Base-Base interactions energy: -95.179
where: short stacking energy: -39.678
Base-Backbone interact. energy: -1.730
local terms energy: -64.038496
where:
bonds (distance) C4'-P energy: -15.227
bonds (distance) P-C4' energy: -18.927
flat angles C4'-P-C4' energy: -13.685
flat angles P-C4'-P energy: -9.641
tors. eta vs tors. theta energy: -6.559
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 413
Temperature: 1.350000
Total energy: -91.059503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.059503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.059503 (E_RNA)
where:
Base-Base interactions energy: -36.529
where: short stacking energy: -21.242
Base-Backbone interact. energy: -0.050
local terms energy: -54.480287
where:
bonds (distance) C4'-P energy: -17.228
bonds (distance) P-C4' energy: -16.188
flat angles C4'-P-C4' energy: -14.898
flat angles P-C4'-P energy: -6.705
tors. eta vs tors. theta energy: 0.539
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 414
Temperature: 0.900000
Total energy: -294.213072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.213072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.213072 (E_RNA)
where:
Base-Base interactions energy: -203.372
where: short stacking energy: -78.359
Base-Backbone interact. energy: -0.042
local terms energy: -90.799472
where:
bonds (distance) C4'-P energy: -18.390
bonds (distance) P-C4' energy: -15.365
flat angles C4'-P-C4' energy: -18.677
flat angles P-C4'-P energy: -15.536
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: 2, replica: 6
=====================================
Write number: 414
Temperature: 0.950000
Total energy: -282.275663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.275663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.275663 (E_RNA)
where:
Base-Base interactions energy: -192.931
where: short stacking energy: -77.062
Base-Backbone interact. energy: -0.699
local terms energy: -88.645570
where:
bonds (distance) C4'-P energy: -16.648
bonds (distance) P-C4' energy: -15.812
flat angles C4'-P-C4' energy: -21.708
flat angles P-C4'-P energy: -9.951
tors. eta vs tors. theta energy: -24.526
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 414
Temperature: 1.000000
Total energy: -286.009898 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.009898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.009898 (E_RNA)
where:
Base-Base interactions energy: -197.201
where: short stacking energy: -70.881
Base-Backbone interact. energy: -0.368
local terms energy: -88.440646
where:
bonds (distance) C4'-P energy: -16.924
bonds (distance) P-C4' energy: -16.422
flat angles C4'-P-C4' energy: -18.766
flat angles P-C4'-P energy: -14.185
tors. eta vs tors. theta energy: -22.142
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 414
Temperature: 1.050000
Total energy: -276.276125 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.276125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.276125 (E_RNA)
where:
Base-Base interactions energy: -189.889
where: short stacking energy: -68.498
Base-Backbone interact. energy: -0.089
local terms energy: -86.297637
where:
bonds (distance) C4'-P energy: -15.665
bonds (distance) P-C4' energy: -19.133
flat angles C4'-P-C4' energy: -18.158
flat angles P-C4'-P energy: -12.930
tors. eta vs tors. theta energy: -20.413
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 414
Temperature: 1.100000
Total energy: -268.158982 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.158982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.158982 (E_RNA)
where:
Base-Base interactions energy: -180.531
where: short stacking energy: -79.827
Base-Backbone interact. energy: -1.889
local terms energy: -85.738339
where:
bonds (distance) C4'-P energy: -13.936
bonds (distance) P-C4' energy: -18.948
flat angles C4'-P-C4' energy: -20.467
flat angles P-C4'-P energy: -14.096
tors. eta vs tors. theta energy: -18.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 414
Temperature: 1.150000
Total energy: -260.714477 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.714477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.714477 (E_RNA)
where:
Base-Base interactions energy: -178.359
where: short stacking energy: -71.338
Base-Backbone interact. energy: -0.206
local terms energy: -82.148763
where:
bonds (distance) C4'-P energy: -13.033
bonds (distance) P-C4' energy: -20.257
flat angles C4'-P-C4' energy: -19.223
flat angles P-C4'-P energy: -11.703
tors. eta vs tors. theta energy: -17.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 414
Temperature: 1.200000
Total energy: -244.232270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.232270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.232270 (E_RNA)
where:
Base-Base interactions energy: -166.638
where: short stacking energy: -74.633
Base-Backbone interact. energy: -0.156
local terms energy: -77.437925
where:
bonds (distance) C4'-P energy: -15.095
bonds (distance) P-C4' energy: -13.877
flat angles C4'-P-C4' energy: -15.681
flat angles P-C4'-P energy: -13.062
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: 8, replica: 1
=====================================
Write number: 414
Temperature: 1.250000
Total energy: -160.993384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.993384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.993384 (E_RNA)
where:
Base-Base interactions energy: -100.701
where: short stacking energy: -54.454
Base-Backbone interact. energy: -0.594
local terms energy: -59.698284
where:
bonds (distance) C4'-P energy: -15.862
bonds (distance) P-C4' energy: -8.504
flat angles C4'-P-C4' energy: -13.347
flat angles P-C4'-P energy: -11.747
tors. eta vs tors. theta energy: -10.238
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 414
Temperature: 1.300000
Total energy: -179.450382 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.450382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.450382 (E_RNA)
where:
Base-Base interactions energy: -119.005
where: short stacking energy: -51.970
Base-Backbone interact. energy: 2.600
local terms energy: -63.045212
where:
bonds (distance) C4'-P energy: -10.296
bonds (distance) P-C4' energy: -16.790
flat angles C4'-P-C4' energy: -14.875
flat angles P-C4'-P energy: -9.170
tors. eta vs tors. theta energy: -11.914
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 414
Temperature: 1.350000
Total energy: -83.752127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.752127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.752127 (E_RNA)
where:
Base-Base interactions energy: -34.971
where: short stacking energy: -21.019
Base-Backbone interact. energy: -0.435
local terms energy: -48.346313
where:
bonds (distance) C4'-P energy: -11.762
bonds (distance) P-C4' energy: -16.901
flat angles C4'-P-C4' energy: -12.177
flat angles P-C4'-P energy: -7.126
tors. eta vs tors. theta energy: -0.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 8
=====================================
Write number: 415
Temperature: 0.900000
Total energy: -289.280581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.280581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.280581 (E_RNA)
where:
Base-Base interactions energy: -197.669
where: short stacking energy: -78.555
Base-Backbone interact. energy: -0.558
local terms energy: -91.053393
where:
bonds (distance) C4'-P energy: -17.004
bonds (distance) P-C4' energy: -18.741
flat angles C4'-P-C4' energy: -16.256
flat angles P-C4'-P energy: -14.432
tors. eta vs tors. theta energy: -24.620
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: 2, replica: 5
=====================================
Write number: 415
Temperature: 0.950000
Total energy: -283.399985 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.399985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.399985 (E_RNA)
where:
Base-Base interactions energy: -198.063
where: short stacking energy: -74.488
Base-Backbone interact. energy: -0.006
local terms energy: -85.331878
where:
bonds (distance) C4'-P energy: -14.657
bonds (distance) P-C4' energy: -17.079
flat angles C4'-P-C4' energy: -16.796
flat angles P-C4'-P energy: -15.576
tors. eta vs tors. theta energy: -21.224
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 415
Temperature: 1.000000
Total energy: -277.470987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.470987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.470987 (E_RNA)
where:
Base-Base interactions energy: -188.761
where: short stacking energy: -80.802
Base-Backbone interact. energy: -0.085
local terms energy: -88.624936
where:
bonds (distance) C4'-P energy: -17.956
bonds (distance) P-C4' energy: -18.523
flat angles C4'-P-C4' energy: -19.834
flat angles P-C4'-P energy: -12.462
tors. eta vs tors. theta energy: -19.849
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 415
Temperature: 1.050000
Total energy: -279.878008 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.878008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.878008 (E_RNA)
where:
Base-Base interactions energy: -189.037
where: short stacking energy: -66.493
Base-Backbone interact. energy: -0.315
local terms energy: -90.526037
where:
bonds (distance) C4'-P energy: -17.464
bonds (distance) P-C4' energy: -19.435
flat angles C4'-P-C4' energy: -19.146
flat angles P-C4'-P energy: -14.147
tors. eta vs tors. theta energy: -20.333
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 415
Temperature: 1.100000
Total energy: -267.422305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.422305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.422305 (E_RNA)
where:
Base-Base interactions energy: -188.490
where: short stacking energy: -78.257
Base-Backbone interact. energy: -0.044
local terms energy: -78.887640
where:
bonds (distance) C4'-P energy: -11.957
bonds (distance) P-C4' energy: -14.136
flat angles C4'-P-C4' energy: -17.799
flat angles P-C4'-P energy: -13.350
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: 6, replica: 7
=====================================
Write number: 415
Temperature: 1.150000
Total energy: -264.813552 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.813552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.813552 (E_RNA)
where:
Base-Base interactions energy: -179.896
where: short stacking energy: -71.148
Base-Backbone interact. energy: -0.185
local terms energy: -84.732509
where:
bonds (distance) C4'-P energy: -11.721
bonds (distance) P-C4' energy: -21.772
flat angles C4'-P-C4' energy: -19.580
flat angles P-C4'-P energy: -11.434
tors. eta vs tors. theta energy: -20.226
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: 7, replica: 10
=====================================
Write number: 415
Temperature: 1.200000
Total energy: -255.081526 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.081526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.081526 (E_RNA)
where:
Base-Base interactions energy: -162.281
where: short stacking energy: -72.387
Base-Backbone interact. energy: -0.807
local terms energy: -91.992869
where:
bonds (distance) C4'-P energy: -14.011
bonds (distance) P-C4' energy: -18.358
flat angles C4'-P-C4' energy: -19.770
flat angles P-C4'-P energy: -15.139
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: 8, replica: 9
=====================================
Write number: 415
Temperature: 1.250000
Total energy: -168.509252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.509252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.509252 (E_RNA)
where:
Base-Base interactions energy: -106.816
where: short stacking energy: -48.739
Base-Backbone interact. energy: -0.166
local terms energy: -61.527273
where:
bonds (distance) C4'-P energy: -12.967
bonds (distance) P-C4' energy: -15.850
flat angles C4'-P-C4' energy: -14.715
flat angles P-C4'-P energy: -9.830
tors. eta vs tors. theta energy: -8.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 415
Temperature: 1.300000
Total energy: -167.888479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.888479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.888479 (E_RNA)
where:
Base-Base interactions energy: -101.311
where: short stacking energy: -44.460
Base-Backbone interact. energy: -0.046
local terms energy: -66.530837
where:
bonds (distance) C4'-P energy: -12.530
bonds (distance) P-C4' energy: -16.282
flat angles C4'-P-C4' energy: -17.919
flat angles P-C4'-P energy: -10.615
tors. eta vs tors. theta energy: -9.185
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 415
Temperature: 1.350000
Total energy: -86.169465 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.169465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.169465 (E_RNA)
where:
Base-Base interactions energy: -29.519
where: short stacking energy: -26.396
Base-Backbone interact. energy: -1.126
local terms energy: -55.524349
where:
bonds (distance) C4'-P energy: -12.317
bonds (distance) P-C4' energy: -18.781
flat angles C4'-P-C4' energy: -14.767
flat angles P-C4'-P energy: -8.231
tors. eta vs tors. theta energy: -1.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 416
Temperature: 0.900000
Total energy: -290.781839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.781839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.781839 (E_RNA)
where:
Base-Base interactions energy: -204.095
where: short stacking energy: -75.458
Base-Backbone interact. energy: -0.999
local terms energy: -85.688189
where:
bonds (distance) C4'-P energy: -14.118
bonds (distance) P-C4' energy: -15.629
flat angles C4'-P-C4' energy: -20.582
flat angles P-C4'-P energy: -11.022
tors. eta vs tors. theta energy: -24.338
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 8
=====================================
Write number: 416
Temperature: 0.950000
Total energy: -279.521146 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.521146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.521146 (E_RNA)
where:
Base-Base interactions energy: -193.229
where: short stacking energy: -78.868
Base-Backbone interact. energy: -0.644
local terms energy: -85.648161
where:
bonds (distance) C4'-P energy: -16.896
bonds (distance) P-C4' energy: -18.543
flat angles C4'-P-C4' energy: -18.496
flat angles P-C4'-P energy: -9.343
tors. eta vs tors. theta energy: -22.371
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 416
Temperature: 1.000000
Total energy: -285.591336 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.591336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.591336 (E_RNA)
where:
Base-Base interactions energy: -206.001
where: short stacking energy: -77.760
Base-Backbone interact. energy: -1.133
local terms energy: -78.457454
where:
bonds (distance) C4'-P energy: -15.625
bonds (distance) P-C4' energy: -14.883
flat angles C4'-P-C4' energy: -17.927
flat angles P-C4'-P energy: -13.085
tors. eta vs tors. theta energy: -16.937
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: 4, replica: 6
=====================================
Write number: 416
Temperature: 1.050000
Total energy: -277.755866 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.755866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.755866 (E_RNA)
where:
Base-Base interactions energy: -188.564
where: short stacking energy: -76.997
Base-Backbone interact. energy: 0.434
local terms energy: -89.625340
where:
bonds (distance) C4'-P energy: -16.168
bonds (distance) P-C4' energy: -18.914
flat angles C4'-P-C4' energy: -18.226
flat angles P-C4'-P energy: -12.532
tors. eta vs tors. theta energy: -23.785
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 416
Temperature: 1.100000
Total energy: -269.133810 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.133810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.133810 (E_RNA)
where:
Base-Base interactions energy: -190.300
where: short stacking energy: -69.465
Base-Backbone interact. energy: -0.216
local terms energy: -78.616927
where:
bonds (distance) C4'-P energy: -18.344
bonds (distance) P-C4' energy: -14.126
flat angles C4'-P-C4' energy: -19.540
flat angles P-C4'-P energy: -9.248
tors. eta vs tors. theta energy: -17.359
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: 3
=====================================
Write number: 416
Temperature: 1.150000
Total energy: -263.135918 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.135918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.135918 (E_RNA)
where:
Base-Base interactions energy: -187.942
where: short stacking energy: -73.176
Base-Backbone interact. energy: 0.285
local terms energy: -75.479486
where:
bonds (distance) C4'-P energy: -13.428
bonds (distance) P-C4' energy: -18.669
flat angles C4'-P-C4' energy: -15.757
flat angles P-C4'-P energy: -8.835
tors. eta vs tors. theta energy: -18.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 416
Temperature: 1.200000
Total energy: -270.822155 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.822155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.822155 (E_RNA)
where:
Base-Base interactions energy: -183.942
where: short stacking energy: -79.022
Base-Backbone interact. energy: -1.615
local terms energy: -85.264641
where:
bonds (distance) C4'-P energy: -13.658
bonds (distance) P-C4' energy: -17.383
flat angles C4'-P-C4' energy: -17.922
flat angles P-C4'-P energy: -10.681
tors. eta vs tors. theta energy: -25.620
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 416
Temperature: 1.250000
Total energy: -189.490676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.490676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.490676 (E_RNA)
where:
Base-Base interactions energy: -117.223
where: short stacking energy: -50.555
Base-Backbone interact. energy: -0.566
local terms energy: -71.702151
where:
bonds (distance) C4'-P energy: -16.525
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -15.287
flat angles P-C4'-P energy: -3.256
tors. eta vs tors. theta energy: -18.977
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 416
Temperature: 1.300000
Total energy: -102.350373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.350373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.350373 (E_RNA)
where:
Base-Base interactions energy: -50.301
where: short stacking energy: -39.770
Base-Backbone interact. energy: 0.130
local terms energy: -52.178560
where:
bonds (distance) C4'-P energy: -13.852
bonds (distance) P-C4' energy: -14.406
flat angles C4'-P-C4' energy: -16.149
flat angles P-C4'-P energy: -2.226
tors. eta vs tors. theta energy: -5.546
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 416
Temperature: 1.350000
Total energy: -131.359380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -131.359380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -131.359380 (E_RNA)
where:
Base-Base interactions energy: -78.802
where: short stacking energy: -28.575
Base-Backbone interact. energy: -1.652
local terms energy: -50.905529
where:
bonds (distance) C4'-P energy: -14.022
bonds (distance) P-C4' energy: -12.711
flat angles C4'-P-C4' energy: -12.385
flat angles P-C4'-P energy: -4.091
tors. eta vs tors. theta energy: -7.697
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 417
Temperature: 0.900000
Total energy: -287.961478 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.961478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.961478 (E_RNA)
where:
Base-Base interactions energy: -195.711
where: short stacking energy: -83.671
Base-Backbone interact. energy: -0.458
local terms energy: -91.792163
where:
bonds (distance) C4'-P energy: -18.281
bonds (distance) P-C4' energy: -17.592
flat angles C4'-P-C4' energy: -19.991
flat angles P-C4'-P energy: -13.728
tors. eta vs tors. theta energy: -22.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 417
Temperature: 0.950000
Total energy: -294.567742 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.567742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.567742 (E_RNA)
where:
Base-Base interactions energy: -206.813
where: short stacking energy: -80.228
Base-Backbone interact. energy: -0.390
local terms energy: -87.364806
where:
bonds (distance) C4'-P energy: -18.175
bonds (distance) P-C4' energy: -17.217
flat angles C4'-P-C4' energy: -18.214
flat angles P-C4'-P energy: -13.676
tors. eta vs tors. theta energy: -20.083
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: 8
=====================================
Write number: 417
Temperature: 1.000000
Total energy: -280.770805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.770805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.770805 (E_RNA)
where:
Base-Base interactions energy: -188.108
where: short stacking energy: -71.169
Base-Backbone interact. energy: -0.061
local terms energy: -92.601741
where:
bonds (distance) C4'-P energy: -16.649
bonds (distance) P-C4' energy: -19.686
flat angles C4'-P-C4' energy: -18.168
flat angles P-C4'-P energy: -15.104
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: 4, replica: 6
=====================================
Write number: 417
Temperature: 1.050000
Total energy: -267.949869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.949869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.949869 (E_RNA)
where:
Base-Base interactions energy: -179.237
where: short stacking energy: -70.762
Base-Backbone interact. energy: -1.379
local terms energy: -87.333138
where:
bonds (distance) C4'-P energy: -17.566
bonds (distance) P-C4' energy: -19.731
flat angles C4'-P-C4' energy: -17.061
flat angles P-C4'-P energy: -14.216
tors. eta vs tors. theta energy: -18.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 417
Temperature: 1.100000
Total energy: -250.209344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.209344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.209344 (E_RNA)
where:
Base-Base interactions energy: -173.970
where: short stacking energy: -77.601
Base-Backbone interact. energy: -0.038
local terms energy: -76.201913
where:
bonds (distance) C4'-P energy: -11.068
bonds (distance) P-C4' energy: -13.351
flat angles C4'-P-C4' energy: -18.701
flat angles P-C4'-P energy: -9.990
tors. eta vs tors. theta energy: -23.092
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 417
Temperature: 1.150000
Total energy: -263.626613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.626613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.626613 (E_RNA)
where:
Base-Base interactions energy: -182.463
where: short stacking energy: -75.166
Base-Backbone interact. energy: -0.854
local terms energy: -80.309868
where:
bonds (distance) C4'-P energy: -17.314
bonds (distance) P-C4' energy: -18.121
flat angles C4'-P-C4' energy: -16.270
flat angles P-C4'-P energy: -6.591
tors. eta vs tors. theta energy: -22.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 417
Temperature: 1.200000
Total energy: -219.516307 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -219.516307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -219.516307 (E_RNA)
where:
Base-Base interactions energy: -141.951
where: short stacking energy: -63.502
Base-Backbone interact. energy: -1.074
local terms energy: -76.491200
where:
bonds (distance) C4'-P energy: -12.918
bonds (distance) P-C4' energy: -14.327
flat angles C4'-P-C4' energy: -18.766
flat angles P-C4'-P energy: -14.874
tors. eta vs tors. theta energy: -15.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 417
Temperature: 1.250000
Total energy: -185.984377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.984377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.984377 (E_RNA)
where:
Base-Base interactions energy: -125.842
where: short stacking energy: -53.208
Base-Backbone interact. energy: -0.935
local terms energy: -59.207333
where:
bonds (distance) C4'-P energy: -11.544
bonds (distance) P-C4' energy: -16.448
flat angles C4'-P-C4' energy: -13.964
flat angles P-C4'-P energy: -8.548
tors. eta vs tors. theta energy: -8.703
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 417
Temperature: 1.300000
Total energy: -83.060164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.060164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.060164 (E_RNA)
where:
Base-Base interactions energy: -30.209
where: short stacking energy: -23.535
Base-Backbone interact. energy: -0.389
local terms energy: -52.461473
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -12.413
flat angles C4'-P-C4' energy: -13.737
flat angles P-C4'-P energy: -8.586
tors. eta vs tors. theta energy: -1.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 417
Temperature: 1.350000
Total energy: -89.862651 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.862651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.862651 (E_RNA)
where:
Base-Base interactions energy: -40.869
where: short stacking energy: -17.785
Base-Backbone interact. energy: -0.636
local terms energy: -48.357627
where:
bonds (distance) C4'-P energy: -12.650
bonds (distance) P-C4' energy: -13.916
flat angles C4'-P-C4' energy: -15.790
flat angles P-C4'-P energy: -10.000
tors. eta vs tors. theta energy: 3.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 418
Temperature: 0.900000
Total energy: -287.727779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.727779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.727779 (E_RNA)
where:
Base-Base interactions energy: -198.081
where: short stacking energy: -79.865
Base-Backbone interact. energy: -0.187
local terms energy: -89.459181
where:
bonds (distance) C4'-P energy: -18.358
bonds (distance) P-C4' energy: -20.366
flat angles C4'-P-C4' energy: -18.715
flat angles P-C4'-P energy: -13.627
tors. eta vs tors. theta energy: -18.393
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: 5
=====================================
Write number: 418
Temperature: 0.950000
Total energy: -283.675961 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.675961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.675961 (E_RNA)
where:
Base-Base interactions energy: -194.760
where: short stacking energy: -77.399
Base-Backbone interact. energy: -0.061
local terms energy: -88.855163
where:
bonds (distance) C4'-P energy: -14.346
bonds (distance) P-C4' energy: -17.859
flat angles C4'-P-C4' energy: -18.566
flat angles P-C4'-P energy: -14.962
tors. eta vs tors. theta energy: -23.124
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 418
Temperature: 1.000000
Total energy: -277.144559 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.144559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.144559 (E_RNA)
where:
Base-Base interactions energy: -192.313
where: short stacking energy: -78.274
Base-Backbone interact. energy: -0.727
local terms energy: -84.105154
where:
bonds (distance) C4'-P energy: -15.575
bonds (distance) P-C4' energy: -13.501
flat angles C4'-P-C4' energy: -20.173
flat angles P-C4'-P energy: -11.419
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: 4, replica: 8
=====================================
Write number: 418
Temperature: 1.050000
Total energy: -278.599753 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.599753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.599753 (E_RNA)
where:
Base-Base interactions energy: -195.273
where: short stacking energy: -73.586
Base-Backbone interact. energy: -0.817
local terms energy: -82.509546
where:
bonds (distance) C4'-P energy: -18.201
bonds (distance) P-C4' energy: -14.814
flat angles C4'-P-C4' energy: -15.989
flat angles P-C4'-P energy: -8.584
tors. eta vs tors. theta energy: -24.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 418
Temperature: 1.100000
Total energy: -264.651966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.651966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.651966 (E_RNA)
where:
Base-Base interactions energy: -183.788
where: short stacking energy: -78.791
Base-Backbone interact. energy: -0.095
local terms energy: -80.768806
where:
bonds (distance) C4'-P energy: -15.928
bonds (distance) P-C4' energy: -15.138
flat angles C4'-P-C4' energy: -15.293
flat angles P-C4'-P energy: -10.365
tors. eta vs tors. theta energy: -24.044
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 418
Temperature: 1.150000
Total energy: -265.932489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.932489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.932489 (E_RNA)
where:
Base-Base interactions energy: -180.515
where: short stacking energy: -78.762
Base-Backbone interact. energy: -2.258
local terms energy: -83.159613
where:
bonds (distance) C4'-P energy: -13.820
bonds (distance) P-C4' energy: -11.449
flat angles C4'-P-C4' energy: -17.803
flat angles P-C4'-P energy: -16.816
tors. eta vs tors. theta energy: -23.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 418
Temperature: 1.200000
Total energy: -230.345287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -230.345287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -230.345287 (E_RNA)
where:
Base-Base interactions energy: -150.903
where: short stacking energy: -67.045
Base-Backbone interact. energy: -0.169
local terms energy: -79.272492
where:
bonds (distance) C4'-P energy: -17.694
bonds (distance) P-C4' energy: -14.357
flat angles C4'-P-C4' energy: -13.958
flat angles P-C4'-P energy: -13.627
tors. eta vs tors. theta energy: -19.635
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: 8, replica: 9
=====================================
Write number: 418
Temperature: 1.250000
Total energy: -160.833415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.833415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.833415 (E_RNA)
where:
Base-Base interactions energy: -105.138
where: short stacking energy: -44.307
Base-Backbone interact. energy: -1.210
local terms energy: -54.484590
where:
bonds (distance) C4'-P energy: -10.481
bonds (distance) P-C4' energy: -14.522
flat angles C4'-P-C4' energy: -14.362
flat angles P-C4'-P energy: -7.570
tors. eta vs tors. theta energy: -7.551
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 418
Temperature: 1.300000
Total energy: -92.434086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.434086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.434086 (E_RNA)
where:
Base-Base interactions energy: -41.625
where: short stacking energy: -30.627
Base-Backbone interact. energy: -0.374
local terms energy: -50.434814
where:
bonds (distance) C4'-P energy: -16.984
bonds (distance) P-C4' energy: -9.174
flat angles C4'-P-C4' energy: -12.639
flat angles P-C4'-P energy: -5.943
tors. eta vs tors. theta energy: -5.695
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 418
Temperature: 1.350000
Total energy: -97.520318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.520318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.520318 (E_RNA)
where:
Base-Base interactions energy: -36.469
where: short stacking energy: -25.423
Base-Backbone interact. energy: -0.623
local terms energy: -60.427830
where:
bonds (distance) C4'-P energy: -15.451
bonds (distance) P-C4' energy: -19.908
flat angles C4'-P-C4' energy: -18.652
flat angles P-C4'-P energy: -6.596
tors. eta vs tors. theta energy: 0.180
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 419
Temperature: 0.900000
Total energy: -292.990731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.990731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.990731 (E_RNA)
where:
Base-Base interactions energy: -204.038
where: short stacking energy: -74.203
Base-Backbone interact. energy: -0.439
local terms energy: -88.513479
where:
bonds (distance) C4'-P energy: -17.977
bonds (distance) P-C4' energy: -17.623
flat angles C4'-P-C4' energy: -19.745
flat angles P-C4'-P energy: -12.344
tors. eta vs tors. theta energy: -20.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 419
Temperature: 0.950000
Total energy: -288.538366 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.538366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.538366 (E_RNA)
where:
Base-Base interactions energy: -198.401
where: short stacking energy: -75.364
Base-Backbone interact. energy: -0.011
local terms energy: -90.126025
where:
bonds (distance) C4'-P energy: -18.519
bonds (distance) P-C4' energy: -18.371
flat angles C4'-P-C4' energy: -17.927
flat angles P-C4'-P energy: -12.370
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: 3, replica: 6
=====================================
Write number: 419
Temperature: 1.000000
Total energy: -273.691143 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.691143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.691143 (E_RNA)
where:
Base-Base interactions energy: -182.930
where: short stacking energy: -69.375
Base-Backbone interact. energy: -0.548
local terms energy: -90.213457
where:
bonds (distance) C4'-P energy: -16.218
bonds (distance) P-C4' energy: -19.480
flat angles C4'-P-C4' energy: -16.044
flat angles P-C4'-P energy: -12.250
tors. eta vs tors. theta energy: -26.221
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 419
Temperature: 1.050000
Total energy: -278.869148 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.869148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.869148 (E_RNA)
where:
Base-Base interactions energy: -186.988
where: short stacking energy: -78.656
Base-Backbone interact. energy: -0.644
local terms energy: -91.236377
where:
bonds (distance) C4'-P energy: -16.602
bonds (distance) P-C4' energy: -15.265
flat angles C4'-P-C4' energy: -20.496
flat angles P-C4'-P energy: -14.010
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: 5, replica: 8
=====================================
Write number: 419
Temperature: 1.100000
Total energy: -266.590127 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.590127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.590127 (E_RNA)
where:
Base-Base interactions energy: -185.673
where: short stacking energy: -74.839
Base-Backbone interact. energy: -1.024
local terms energy: -79.893034
where:
bonds (distance) C4'-P energy: -17.758
bonds (distance) P-C4' energy: -13.657
flat angles C4'-P-C4' energy: -14.740
flat angles P-C4'-P energy: -7.886
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: 6, replica: 7
=====================================
Write number: 419
Temperature: 1.150000
Total energy: -266.083123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.083123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.083123 (E_RNA)
where:
Base-Base interactions energy: -179.434
where: short stacking energy: -74.184
Base-Backbone interact. energy: -0.320
local terms energy: -86.328775
where:
bonds (distance) C4'-P energy: -14.686
bonds (distance) P-C4' energy: -19.852
flat angles C4'-P-C4' energy: -16.327
flat angles P-C4'-P energy: -8.141
tors. eta vs tors. theta energy: -27.324
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: 10
=====================================
Write number: 419
Temperature: 1.200000
Total energy: -199.040060 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.040060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.040060 (E_RNA)
where:
Base-Base interactions energy: -131.633
where: short stacking energy: -50.066
Base-Backbone interact. energy: -0.147
local terms energy: -67.260323
where:
bonds (distance) C4'-P energy: -18.084
bonds (distance) P-C4' energy: -16.292
flat angles C4'-P-C4' energy: -15.011
flat angles P-C4'-P energy: -10.395
tors. eta vs tors. theta energy: -7.478
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 419
Temperature: 1.250000
Total energy: -158.874154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.874154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.874154 (E_RNA)
where:
Base-Base interactions energy: -100.706
where: short stacking energy: -56.041
Base-Backbone interact. energy: -0.393
local terms energy: -57.774381
where:
bonds (distance) C4'-P energy: -5.424
bonds (distance) P-C4' energy: -17.074
flat angles C4'-P-C4' energy: -14.331
flat angles P-C4'-P energy: -12.318
tors. eta vs tors. theta energy: -8.627
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 419
Temperature: 1.300000
Total energy: -97.855573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.855573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.855573 (E_RNA)
where:
Base-Base interactions energy: -36.864
where: short stacking energy: -28.840
Base-Backbone interact. energy: -1.323
local terms energy: -59.669137
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -19.320
flat angles C4'-P-C4' energy: -12.607
flat angles P-C4'-P energy: -10.008
tors. eta vs tors. theta energy: -4.485
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 419
Temperature: 1.350000
Total energy: -79.293798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.293798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.293798 (E_RNA)
where:
Base-Base interactions energy: -22.573
where: short stacking energy: -22.573
Base-Backbone interact. energy: -0.274
local terms energy: -56.447498
where:
bonds (distance) C4'-P energy: -16.309
bonds (distance) P-C4' energy: -17.266
flat angles C4'-P-C4' energy: -10.931
flat angles P-C4'-P energy: -10.061
tors. eta vs tors. theta energy: -1.880
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 420
Temperature: 0.900000
Total energy: -290.169729 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.169729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.169729 (E_RNA)
where:
Base-Base interactions energy: -196.447
where: short stacking energy: -69.863
Base-Backbone interact. energy: -0.173
local terms energy: -93.549868
where:
bonds (distance) C4'-P energy: -20.482
bonds (distance) P-C4' energy: -19.438
flat angles C4'-P-C4' energy: -17.285
flat angles P-C4'-P energy: -14.472
tors. eta vs tors. theta energy: -21.873
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: 2, replica: 5
=====================================
Write number: 420
Temperature: 0.950000
Total energy: -288.115607 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.115607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.115607 (E_RNA)
where:
Base-Base interactions energy: -193.250
where: short stacking energy: -80.951
Base-Backbone interact. energy: -0.223
local terms energy: -94.642622
where:
bonds (distance) C4'-P energy: -18.651
bonds (distance) P-C4' energy: -18.565
flat angles C4'-P-C4' energy: -18.174
flat angles P-C4'-P energy: -16.623
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: 3, replica: 3
=====================================
Write number: 420
Temperature: 1.000000
Total energy: -286.607398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.607398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.607398 (E_RNA)
where:
Base-Base interactions energy: -202.048
where: short stacking energy: -81.035
Base-Backbone interact. energy: 0.078
local terms energy: -84.636931
where:
bonds (distance) C4'-P energy: -18.428
bonds (distance) P-C4' energy: -15.296
flat angles C4'-P-C4' energy: -17.478
flat angles P-C4'-P energy: -11.754
tors. eta vs tors. theta energy: -21.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 420
Temperature: 1.050000
Total energy: -272.265812 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.265812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.265812 (E_RNA)
where:
Base-Base interactions energy: -181.198
where: short stacking energy: -70.062
Base-Backbone interact. energy: -0.182
local terms energy: -90.885147
where:
bonds (distance) C4'-P energy: -18.036
bonds (distance) P-C4' energy: -15.346
flat angles C4'-P-C4' energy: -19.960
flat angles P-C4'-P energy: -13.832
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: 5, replica: 8
=====================================
Write number: 420
Temperature: 1.100000
Total energy: -273.025600 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.025600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.025600 (E_RNA)
where:
Base-Base interactions energy: -182.437
where: short stacking energy: -71.019
Base-Backbone interact. energy: 1.150
local terms energy: -91.738673
where:
bonds (distance) C4'-P energy: -14.913
bonds (distance) P-C4' energy: -19.324
flat angles C4'-P-C4' energy: -20.281
flat angles P-C4'-P energy: -15.673
tors. eta vs tors. theta energy: -21.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 420
Temperature: 1.150000
Total energy: -256.418042 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.418042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.418042 (E_RNA)
where:
Base-Base interactions energy: -176.766
where: short stacking energy: -75.953
Base-Backbone interact. energy: -0.194
local terms energy: -79.458694
where:
bonds (distance) C4'-P energy: -17.614
bonds (distance) P-C4' energy: -11.150
flat angles C4'-P-C4' energy: -16.178
flat angles P-C4'-P energy: -12.738
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: 10
=====================================
Write number: 420
Temperature: 1.200000
Total energy: -204.066430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.066430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.066430 (E_RNA)
where:
Base-Base interactions energy: -117.195
where: short stacking energy: -54.829
Base-Backbone interact. energy: -0.947
local terms energy: -85.924303
where:
bonds (distance) C4'-P energy: -17.173
bonds (distance) P-C4' energy: -18.887
flat angles C4'-P-C4' energy: -17.452
flat angles P-C4'-P energy: -16.036
tors. eta vs tors. theta energy: -16.377
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 420
Temperature: 1.250000
Total energy: -175.010053 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.010053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.010053 (E_RNA)
where:
Base-Base interactions energy: -111.436
where: short stacking energy: -53.050
Base-Backbone interact. energy: -0.428
local terms energy: -63.145907
where:
bonds (distance) C4'-P energy: -6.959
bonds (distance) P-C4' energy: -18.719
flat angles C4'-P-C4' energy: -14.356
flat angles P-C4'-P energy: -9.564
tors. eta vs tors. theta energy: -13.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 420
Temperature: 1.300000
Total energy: -83.989450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.989450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.989450 (E_RNA)
where:
Base-Base interactions energy: -17.974
where: short stacking energy: -15.417
Base-Backbone interact. energy: -0.427
local terms energy: -65.588918
where:
bonds (distance) C4'-P energy: -17.812
bonds (distance) P-C4' energy: -15.237
flat angles C4'-P-C4' energy: -17.044
flat angles P-C4'-P energy: -13.654
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: 10, replica: 1
=====================================
Write number: 420
Temperature: 1.350000
Total energy: -99.512258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.512258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.512258 (E_RNA)
where:
Base-Base interactions energy: -50.034
where: short stacking energy: -23.666
Base-Backbone interact. energy: -0.511
local terms energy: -48.967594
where:
bonds (distance) C4'-P energy: -12.922
bonds (distance) P-C4' energy: -14.030
flat angles C4'-P-C4' energy: -17.757
flat angles P-C4'-P energy: -2.682
tors. eta vs tors. theta energy: -1.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 421
Temperature: 0.900000
Total energy: -289.120650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.120650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.120650 (E_RNA)
where:
Base-Base interactions energy: -202.787
where: short stacking energy: -79.780
Base-Backbone interact. energy: 0.191
local terms energy: -86.524982
where:
bonds (distance) C4'-P energy: -16.586
bonds (distance) P-C4' energy: -17.787
flat angles C4'-P-C4' energy: -19.564
flat angles P-C4'-P energy: -11.920
tors. eta vs tors. theta energy: -20.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 421
Temperature: 0.950000
Total energy: -284.124292 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.124292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.124292 (E_RNA)
where:
Base-Base interactions energy: -194.982
where: short stacking energy: -75.584
Base-Backbone interact. energy: -0.096
local terms energy: -89.045665
where:
bonds (distance) C4'-P energy: -20.572
bonds (distance) P-C4' energy: -18.677
flat angles C4'-P-C4' energy: -15.811
flat angles P-C4'-P energy: -6.287
tors. eta vs tors. theta energy: -27.700
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: 5
=====================================
Write number: 421
Temperature: 1.000000
Total energy: -277.463483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.463483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.463483 (E_RNA)
where:
Base-Base interactions energy: -189.952
where: short stacking energy: -73.692
Base-Backbone interact. energy: -1.063
local terms energy: -86.449128
where:
bonds (distance) C4'-P energy: -15.167
bonds (distance) P-C4' energy: -20.490
flat angles C4'-P-C4' energy: -18.085
flat angles P-C4'-P energy: -9.850
tors. eta vs tors. theta energy: -22.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 8
=====================================
Write number: 421
Temperature: 1.050000
Total energy: -272.235284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.235284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.235284 (E_RNA)
where:
Base-Base interactions energy: -182.437
where: short stacking energy: -69.205
Base-Backbone interact. energy: -0.773
local terms energy: -89.024966
where:
bonds (distance) C4'-P energy: -19.487
bonds (distance) P-C4' energy: -15.881
flat angles C4'-P-C4' energy: -18.679
flat angles P-C4'-P energy: -9.262
tors. eta vs tors. theta energy: -25.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 421
Temperature: 1.100000
Total energy: -272.953903 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.953903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.953903 (E_RNA)
where:
Base-Base interactions energy: -193.070
where: short stacking energy: -73.310
Base-Backbone interact. energy: -0.535
local terms energy: -79.348398
where:
bonds (distance) C4'-P energy: -16.155
bonds (distance) P-C4' energy: -13.029
flat angles C4'-P-C4' energy: -18.493
flat angles P-C4'-P energy: -10.234
tors. eta vs tors. theta energy: -21.438
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: 7
=====================================
Write number: 421
Temperature: 1.150000
Total energy: -260.635262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.635262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.635262 (E_RNA)
where:
Base-Base interactions energy: -174.493
where: short stacking energy: -72.841
Base-Backbone interact. energy: -0.498
local terms energy: -85.643790
where:
bonds (distance) C4'-P energy: -15.962
bonds (distance) P-C4' energy: -14.682
flat angles C4'-P-C4' energy: -17.855
flat angles P-C4'-P energy: -12.620
tors. eta vs tors. theta energy: -24.525
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: 10
=====================================
Write number: 421
Temperature: 1.200000
Total energy: -187.992466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -187.992466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -187.992466 (E_RNA)
where:
Base-Base interactions energy: -116.050
where: short stacking energy: -56.331
Base-Backbone interact. energy: 0.936
local terms energy: -72.878851
where:
bonds (distance) C4'-P energy: -18.527
bonds (distance) P-C4' energy: -12.292
flat angles C4'-P-C4' energy: -17.026
flat angles P-C4'-P energy: -11.288
tors. eta vs tors. theta energy: -13.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 421
Temperature: 1.250000
Total energy: -163.083147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -163.083147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -163.083147 (E_RNA)
where:
Base-Base interactions energy: -100.811
where: short stacking energy: -48.267
Base-Backbone interact. energy: -0.306
local terms energy: -61.965992
where:
bonds (distance) C4'-P energy: -13.277
bonds (distance) P-C4' energy: -19.854
flat angles C4'-P-C4' energy: -15.606
flat angles P-C4'-P energy: -4.996
tors. eta vs tors. theta energy: -8.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 421
Temperature: 1.300000
Total energy: -90.405867 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.405867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.405867 (E_RNA)
where:
Base-Base interactions energy: -36.817
where: short stacking energy: -34.560
Base-Backbone interact. energy: -0.102
local terms energy: -53.486769
where:
bonds (distance) C4'-P energy: -15.555
bonds (distance) P-C4' energy: -19.199
flat angles C4'-P-C4' energy: -13.899
flat angles P-C4'-P energy: -5.830
tors. eta vs tors. theta energy: 0.996
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 421
Temperature: 1.350000
Total energy: -85.255553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.255553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.255553 (E_RNA)
where:
Base-Base interactions energy: -26.409
where: short stacking energy: -21.346
Base-Backbone interact. energy: -0.389
local terms energy: -58.457583
where:
bonds (distance) C4'-P energy: -19.251
bonds (distance) P-C4' energy: -12.615
flat angles C4'-P-C4' energy: -14.311
flat angles P-C4'-P energy: -10.270
tors. eta vs tors. theta energy: -2.010
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 422
Temperature: 0.900000
Total energy: -294.021046 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.021046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.021046 (E_RNA)
where:
Base-Base interactions energy: -204.220
where: short stacking energy: -76.665
Base-Backbone interact. energy: -0.887
local terms energy: -88.913898
where:
bonds (distance) C4'-P energy: -17.596
bonds (distance) P-C4' energy: -18.579
flat angles C4'-P-C4' energy: -20.161
flat angles P-C4'-P energy: -10.745
tors. eta vs tors. theta energy: -21.833
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 422
Temperature: 0.950000
Total energy: -286.294152 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.294152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.294152 (E_RNA)
where:
Base-Base interactions energy: -197.835
where: short stacking energy: -81.794
Base-Backbone interact. energy: -0.001
local terms energy: -88.457696
where:
bonds (distance) C4'-P energy: -16.453
bonds (distance) P-C4' energy: -20.398
flat angles C4'-P-C4' energy: -18.465
flat angles P-C4'-P energy: -6.598
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: 3, replica: 5
=====================================
Write number: 422
Temperature: 1.000000
Total energy: -283.597925 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.597925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.597925 (E_RNA)
where:
Base-Base interactions energy: -184.227
where: short stacking energy: -75.563
Base-Backbone interact. energy: -0.880
local terms energy: -98.490206
where:
bonds (distance) C4'-P energy: -20.358
bonds (distance) P-C4' energy: -21.075
flat angles C4'-P-C4' energy: -18.010
flat angles P-C4'-P energy: -13.459
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: 8
=====================================
Write number: 422
Temperature: 1.050000
Total energy: -250.864022 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.864022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.864022 (E_RNA)
where:
Base-Base interactions energy: -164.010
where: short stacking energy: -71.385
Base-Backbone interact. energy: -0.325
local terms energy: -86.528248
where:
bonds (distance) C4'-P energy: -18.965
bonds (distance) P-C4' energy: -15.428
flat angles C4'-P-C4' energy: -18.254
flat angles P-C4'-P energy: -12.960
tors. eta vs tors. theta energy: -20.921
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 422
Temperature: 1.100000
Total energy: -275.641685 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.641685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.641685 (E_RNA)
where:
Base-Base interactions energy: -183.066
where: short stacking energy: -72.768
Base-Backbone interact. energy: -1.164
local terms energy: -91.411567
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -19.161
flat angles C4'-P-C4' energy: -18.867
flat angles P-C4'-P energy: -15.315
tors. eta vs tors. theta energy: -21.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 422
Temperature: 1.150000
Total energy: -266.993279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.993279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.993279 (E_RNA)
where:
Base-Base interactions energy: -178.334
where: short stacking energy: -72.136
Base-Backbone interact. energy: -0.473
local terms energy: -88.186640
where:
bonds (distance) C4'-P energy: -14.756
bonds (distance) P-C4' energy: -17.106
flat angles C4'-P-C4' energy: -19.130
flat angles P-C4'-P energy: -10.215
tors. eta vs tors. theta energy: -26.979
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: 7, replica: 10
=====================================
Write number: 422
Temperature: 1.200000
Total energy: -191.851683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.851683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.851683 (E_RNA)
where:
Base-Base interactions energy: -115.228
where: short stacking energy: -55.689
Base-Backbone interact. energy: -4.292
local terms energy: -72.331708
where:
bonds (distance) C4'-P energy: -16.685
bonds (distance) P-C4' energy: -17.443
flat angles C4'-P-C4' energy: -12.416
flat angles P-C4'-P energy: -11.613
tors. eta vs tors. theta energy: -14.174
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 422
Temperature: 1.250000
Total energy: -149.705428 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -149.705428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -149.705428 (E_RNA)
where:
Base-Base interactions energy: -82.691
where: short stacking energy: -42.715
Base-Backbone interact. energy: -1.262
local terms energy: -65.752334
where:
bonds (distance) C4'-P energy: -16.578
bonds (distance) P-C4' energy: -15.184
flat angles C4'-P-C4' energy: -17.261
flat angles P-C4'-P energy: -10.049
tors. eta vs tors. theta energy: -6.680
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: 2
=====================================
Write number: 422
Temperature: 1.300000
Total energy: -84.992442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.992442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.992442 (E_RNA)
where:
Base-Base interactions energy: -29.570
where: short stacking energy: -29.143
Base-Backbone interact. energy: -0.195
local terms energy: -55.227247
where:
bonds (distance) C4'-P energy: -17.427
bonds (distance) P-C4' energy: -11.806
flat angles C4'-P-C4' energy: -19.145
flat angles P-C4'-P energy: -9.173
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: 1
=====================================
Write number: 422
Temperature: 1.350000
Total energy: -95.497380 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.497380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.497380 (E_RNA)
where:
Base-Base interactions energy: -32.313
where: short stacking energy: -30.274
Base-Backbone interact. energy: -0.064
local terms energy: -63.120993
where:
bonds (distance) C4'-P energy: -11.332
bonds (distance) P-C4' energy: -18.981
flat angles C4'-P-C4' energy: -16.546
flat angles P-C4'-P energy: -12.874
tors. eta vs tors. theta energy: -3.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 423
Temperature: 0.900000
Total energy: -299.611923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -299.611923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -299.611923 (E_RNA)
where:
Base-Base interactions energy: -205.617
where: short stacking energy: -80.887
Base-Backbone interact. energy: -0.407
local terms energy: -93.587592
where:
bonds (distance) C4'-P energy: -18.829
bonds (distance) P-C4' energy: -18.110
flat angles C4'-P-C4' energy: -20.695
flat angles P-C4'-P energy: -13.903
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: 2, replica: 3
=====================================
Write number: 423
Temperature: 0.950000
Total energy: -284.344301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.344301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.344301 (E_RNA)
where:
Base-Base interactions energy: -198.015
where: short stacking energy: -78.991
Base-Backbone interact. energy: -0.951
local terms energy: -85.377888
where:
bonds (distance) C4'-P energy: -14.884
bonds (distance) P-C4' energy: -18.703
flat angles C4'-P-C4' energy: -14.801
flat angles P-C4'-P energy: -11.638
tors. eta vs tors. theta energy: -25.351
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 423
Temperature: 1.000000
Total energy: -272.156205 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.156205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.156205 (E_RNA)
where:
Base-Base interactions energy: -183.265
where: short stacking energy: -74.804
Base-Backbone interact. energy: -0.033
local terms energy: -88.858645
where:
bonds (distance) C4'-P energy: -15.882
bonds (distance) P-C4' energy: -19.060
flat angles C4'-P-C4' energy: -18.529
flat angles P-C4'-P energy: -13.700
tors. eta vs tors. theta energy: -21.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 423
Temperature: 1.050000
Total energy: -276.566253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.566253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.566253 (E_RNA)
where:
Base-Base interactions energy: -185.456
where: short stacking energy: -73.142
Base-Backbone interact. energy: 0.549
local terms energy: -91.659463
where:
bonds (distance) C4'-P energy: -14.917
bonds (distance) P-C4' energy: -20.380
flat angles C4'-P-C4' energy: -18.485
flat angles P-C4'-P energy: -15.014
tors. eta vs tors. theta energy: -22.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 8
=====================================
Write number: 423
Temperature: 1.100000
Total energy: -263.642473 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.642473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.642473 (E_RNA)
where:
Base-Base interactions energy: -190.059
where: short stacking energy: -70.250
Base-Backbone interact. energy: -0.197
local terms energy: -73.386901
where:
bonds (distance) C4'-P energy: -10.232
bonds (distance) P-C4' energy: -17.129
flat angles C4'-P-C4' energy: -14.692
flat angles P-C4'-P energy: -11.627
tors. eta vs tors. theta energy: -19.707
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 423
Temperature: 1.150000
Total energy: -213.258287 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -213.258287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -213.258287 (E_RNA)
where:
Base-Base interactions energy: -144.970
where: short stacking energy: -58.547
Base-Backbone interact. energy: -0.377
local terms energy: -67.910926
where:
bonds (distance) C4'-P energy: -10.931
bonds (distance) P-C4' energy: -13.845
flat angles C4'-P-C4' energy: -16.615
flat angles P-C4'-P energy: -13.685
tors. eta vs tors. theta energy: -12.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 423
Temperature: 1.200000
Total energy: -262.182946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.182946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.182946 (E_RNA)
where:
Base-Base interactions energy: -174.811
where: short stacking energy: -65.550
Base-Backbone interact. energy: -0.020
local terms energy: -87.351854
where:
bonds (distance) C4'-P energy: -15.657
bonds (distance) P-C4' energy: -19.373
flat angles C4'-P-C4' energy: -19.300
flat angles P-C4'-P energy: -11.599
tors. eta vs tors. theta energy: -21.423
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 423
Temperature: 1.250000
Total energy: -95.343966 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.343966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.343966 (E_RNA)
where:
Base-Base interactions energy: -38.922
where: short stacking energy: -38.200
Base-Backbone interact. energy: -0.117
local terms energy: -56.305467
where:
bonds (distance) C4'-P energy: -17.964
bonds (distance) P-C4' energy: -17.597
flat angles C4'-P-C4' energy: -16.185
flat angles P-C4'-P energy: -2.262
tors. eta vs tors. theta energy: -2.298
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 423
Temperature: 1.300000
Total energy: -133.847644 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.847644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.847644 (E_RNA)
where:
Base-Base interactions energy: -64.650
where: short stacking energy: -27.250
Base-Backbone interact. energy: -0.152
local terms energy: -69.045376
where:
bonds (distance) C4'-P energy: -19.666
bonds (distance) P-C4' energy: -21.725
flat angles C4'-P-C4' energy: -11.999
flat angles P-C4'-P energy: -14.161
tors. eta vs tors. theta energy: -1.494
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 423
Temperature: 1.350000
Total energy: -103.412270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.412270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.412270 (E_RNA)
where:
Base-Base interactions energy: -41.584
where: short stacking energy: -40.332
Base-Backbone interact. energy: -0.039
local terms energy: -61.789190
where:
bonds (distance) C4'-P energy: -14.424
bonds (distance) P-C4' energy: -16.568
flat angles C4'-P-C4' energy: -11.801
flat angles P-C4'-P energy: -4.761
tors. eta vs tors. theta energy: -14.235
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 424
Temperature: 0.900000
Total energy: -297.196157 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.196157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.196157 (E_RNA)
where:
Base-Base interactions energy: -212.851
where: short stacking energy: -79.895
Base-Backbone interact. energy: 0.028
local terms energy: -84.373228
where:
bonds (distance) C4'-P energy: -16.746
bonds (distance) P-C4' energy: -18.177
flat angles C4'-P-C4' energy: -20.112
flat angles P-C4'-P energy: -8.604
tors. eta vs tors. theta energy: -20.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 424
Temperature: 0.950000
Total energy: -283.489281 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.489281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.489281 (E_RNA)
where:
Base-Base interactions energy: -193.972
where: short stacking energy: -76.572
Base-Backbone interact. energy: -0.435
local terms energy: -89.082620
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -17.198
flat angles C4'-P-C4' energy: -16.493
flat angles P-C4'-P energy: -14.499
tors. eta vs tors. theta energy: -25.792
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 424
Temperature: 1.000000
Total energy: -279.178780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.178780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.178780 (E_RNA)
where:
Base-Base interactions energy: -188.707
where: short stacking energy: -77.926
Base-Backbone interact. energy: -0.001
local terms energy: -90.470601
where:
bonds (distance) C4'-P energy: -18.731
bonds (distance) P-C4' energy: -17.950
flat angles C4'-P-C4' energy: -18.264
flat angles P-C4'-P energy: -10.890
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: 5
=====================================
Write number: 424
Temperature: 1.050000
Total energy: -275.835446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.835446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.835446 (E_RNA)
where:
Base-Base interactions energy: -190.590
where: short stacking energy: -70.857
Base-Backbone interact. energy: -0.087
local terms energy: -85.157744
where:
bonds (distance) C4'-P energy: -15.977
bonds (distance) P-C4' energy: -14.710
flat angles C4'-P-C4' energy: -20.235
flat angles P-C4'-P energy: -9.881
tors. eta vs tors. theta energy: -24.355
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 424
Temperature: 1.100000
Total energy: -227.816215 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -227.816215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -227.816215 (E_RNA)
where:
Base-Base interactions energy: -152.053
where: short stacking energy: -61.061
Base-Backbone interact. energy: -0.775
local terms energy: -74.987715
where:
bonds (distance) C4'-P energy: -15.514
bonds (distance) P-C4' energy: -19.306
flat angles C4'-P-C4' energy: -17.192
flat angles P-C4'-P energy: -12.034
tors. eta vs tors. theta energy: -10.942
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 8
=====================================
Write number: 424
Temperature: 1.150000
Total energy: -250.068475 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.068475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.068475 (E_RNA)
where:
Base-Base interactions energy: -171.831
where: short stacking energy: -72.022
Base-Backbone interact. energy: -0.874
local terms energy: -77.363973
where:
bonds (distance) C4'-P energy: -10.164
bonds (distance) P-C4' energy: -19.383
flat angles C4'-P-C4' energy: -18.322
flat angles P-C4'-P energy: -7.771
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: 7, replica: 7
=====================================
Write number: 424
Temperature: 1.200000
Total energy: -257.706384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.706384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.706384 (E_RNA)
where:
Base-Base interactions energy: -175.339
where: short stacking energy: -75.519
Base-Backbone interact. energy: -0.013
local terms energy: -82.353504
where:
bonds (distance) C4'-P energy: -17.881
bonds (distance) P-C4' energy: -19.861
flat angles C4'-P-C4' energy: -14.373
flat angles P-C4'-P energy: -6.572
tors. eta vs tors. theta energy: -23.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 424
Temperature: 1.250000
Total energy: -86.758112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.758112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.758112 (E_RNA)
where:
Base-Base interactions energy: -30.675
where: short stacking energy: -24.270
Base-Backbone interact. energy: -1.737
local terms energy: -54.346222
where:
bonds (distance) C4'-P energy: -16.993
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -14.071
flat angles P-C4'-P energy: -7.155
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: 9, replica: 9
=====================================
Write number: 424
Temperature: 1.300000
Total energy: -144.947223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.947223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.947223 (E_RNA)
where:
Base-Base interactions energy: -79.871
where: short stacking energy: -42.942
Base-Backbone interact. energy: -0.592
local terms energy: -64.483834
where:
bonds (distance) C4'-P energy: -13.716
bonds (distance) P-C4' energy: -17.167
flat angles C4'-P-C4' energy: -16.229
flat angles P-C4'-P energy: -11.001
tors. eta vs tors. theta energy: -6.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 424
Temperature: 1.350000
Total energy: -88.473159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.473159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.473159 (E_RNA)
where:
Base-Base interactions energy: -27.789
where: short stacking energy: -25.941
Base-Backbone interact. energy: -0.372
local terms energy: -60.312108
where:
bonds (distance) C4'-P energy: -16.213
bonds (distance) P-C4' energy: -18.871
flat angles C4'-P-C4' energy: -16.772
flat angles P-C4'-P energy: -2.902
tors. eta vs tors. theta energy: -5.553
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 425
Temperature: 0.900000
Total energy: -289.682963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.682963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.682963 (E_RNA)
where:
Base-Base interactions energy: -202.729
where: short stacking energy: -81.501
Base-Backbone interact. energy: -0.184
local terms energy: -86.769368
where:
bonds (distance) C4'-P energy: -13.356
bonds (distance) P-C4' energy: -16.427
flat angles C4'-P-C4' energy: -21.074
flat angles P-C4'-P energy: -12.212
tors. eta vs tors. theta energy: -23.700
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 425
Temperature: 0.950000
Total energy: -277.366144 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.366144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.366144 (E_RNA)
where:
Base-Base interactions energy: -192.418
where: short stacking energy: -74.085
Base-Backbone interact. energy: -0.066
local terms energy: -84.882523
where:
bonds (distance) C4'-P energy: -16.060
bonds (distance) P-C4' energy: -17.420
flat angles C4'-P-C4' energy: -16.620
flat angles P-C4'-P energy: -12.783
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: 3, replica: 6
=====================================
Write number: 425
Temperature: 1.000000
Total energy: -279.773769 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.773769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.773769 (E_RNA)
where:
Base-Base interactions energy: -199.888
where: short stacking energy: -79.685
Base-Backbone interact. energy: -0.393
local terms energy: -79.493001
where:
bonds (distance) C4'-P energy: -13.624
bonds (distance) P-C4' energy: -15.983
flat angles C4'-P-C4' energy: -12.882
flat angles P-C4'-P energy: -13.491
tors. eta vs tors. theta energy: -23.513
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: 5
=====================================
Write number: 425
Temperature: 1.050000
Total energy: -259.514677 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.514677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.514677 (E_RNA)
where:
Base-Base interactions energy: -165.906
where: short stacking energy: -81.655
Base-Backbone interact. energy: -0.005
local terms energy: -93.602793
where:
bonds (distance) C4'-P energy: -17.806
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -20.017
flat angles P-C4'-P energy: -14.170
tors. eta vs tors. theta energy: -25.468
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 425
Temperature: 1.100000
Total energy: -236.353444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -236.353444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -236.353444 (E_RNA)
where:
Base-Base interactions energy: -162.990
where: short stacking energy: -69.814
Base-Backbone interact. energy: -1.179
local terms energy: -72.183553
where:
bonds (distance) C4'-P energy: -17.415
bonds (distance) P-C4' energy: -13.357
flat angles C4'-P-C4' energy: -17.412
flat angles P-C4'-P energy: -7.108
tors. eta vs tors. theta energy: -16.893
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: 7
=====================================
Write number: 425
Temperature: 1.150000
Total energy: -253.221618 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.221618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.221618 (E_RNA)
where:
Base-Base interactions energy: -171.448
where: short stacking energy: -67.030
Base-Backbone interact. energy: -0.618
local terms energy: -81.155753
where:
bonds (distance) C4'-P energy: -15.285
bonds (distance) P-C4' energy: -14.249
flat angles C4'-P-C4' energy: -15.926
flat angles P-C4'-P energy: -14.781
tors. eta vs tors. theta energy: -20.916
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 425
Temperature: 1.200000
Total energy: -242.148467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.148467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.148467 (E_RNA)
where:
Base-Base interactions energy: -169.498
where: short stacking energy: -59.843
Base-Backbone interact. energy: -0.815
local terms energy: -71.835451
where:
bonds (distance) C4'-P energy: -14.743
bonds (distance) P-C4' energy: -19.242
flat angles C4'-P-C4' energy: -16.792
flat angles P-C4'-P energy: -8.912
tors. eta vs tors. theta energy: -12.146
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 425
Temperature: 1.250000
Total energy: -158.717353 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.717353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.717353 (E_RNA)
where:
Base-Base interactions energy: -85.113
where: short stacking energy: -42.074
Base-Backbone interact. energy: -0.006
local terms energy: -73.598657
where:
bonds (distance) C4'-P energy: -17.861
bonds (distance) P-C4' energy: -14.865
flat angles C4'-P-C4' energy: -14.693
flat angles P-C4'-P energy: -14.414
tors. eta vs tors. theta energy: -11.766
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: 2
=====================================
Write number: 425
Temperature: 1.300000
Total energy: -98.351193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.351193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.351193 (E_RNA)
where:
Base-Base interactions energy: -43.705
where: short stacking energy: -35.945
Base-Backbone interact. energy: -0.319
local terms energy: -54.327093
where:
bonds (distance) C4'-P energy: -17.875
bonds (distance) P-C4' energy: -11.206
flat angles C4'-P-C4' energy: -11.873
flat angles P-C4'-P energy: -8.722
tors. eta vs tors. theta energy: -4.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 425
Temperature: 1.350000
Total energy: -80.351051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.351051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.351051 (E_RNA)
where:
Base-Base interactions energy: -22.742
where: short stacking energy: -22.556
Base-Backbone interact. energy: -0.226
local terms energy: -57.383426
where:
bonds (distance) C4'-P energy: -16.184
bonds (distance) P-C4' energy: -16.509
flat angles C4'-P-C4' energy: -14.119
flat angles P-C4'-P energy: -7.138
tors. eta vs tors. theta energy: -3.434
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 426
Temperature: 0.900000
Total energy: -295.079434 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.079434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.079434 (E_RNA)
where:
Base-Base interactions energy: -203.083
where: short stacking energy: -71.928
Base-Backbone interact. energy: -0.161
local terms energy: -91.835215
where:
bonds (distance) C4'-P energy: -15.224
bonds (distance) P-C4' energy: -18.523
flat angles C4'-P-C4' energy: -20.147
flat angles P-C4'-P energy: -15.318
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: 3
=====================================
Write number: 426
Temperature: 0.950000
Total energy: -281.561712 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.561712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.561712 (E_RNA)
where:
Base-Base interactions energy: -190.865
where: short stacking energy: -75.819
Base-Backbone interact. energy: -0.816
local terms energy: -89.880216
where:
bonds (distance) C4'-P energy: -17.248
bonds (distance) P-C4' energy: -13.319
flat angles C4'-P-C4' energy: -17.839
flat angles P-C4'-P energy: -14.297
tors. eta vs tors. theta energy: -27.177
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: 6
=====================================
Write number: 426
Temperature: 1.000000
Total energy: -271.929182 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.929182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.929182 (E_RNA)
where:
Base-Base interactions energy: -184.580
where: short stacking energy: -69.877
Base-Backbone interact. energy: -0.030
local terms energy: -87.319301
where:
bonds (distance) C4'-P energy: -18.481
bonds (distance) P-C4' energy: -16.735
flat angles C4'-P-C4' energy: -18.705
flat angles P-C4'-P energy: -11.411
tors. eta vs tors. theta energy: -21.988
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 426
Temperature: 1.050000
Total energy: -283.211079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.211079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.211079 (E_RNA)
where:
Base-Base interactions energy: -187.240
where: short stacking energy: -77.032
Base-Backbone interact. energy: -2.047
local terms energy: -93.924047
where:
bonds (distance) C4'-P energy: -20.490
bonds (distance) P-C4' energy: -19.027
flat angles C4'-P-C4' energy: -17.691
flat angles P-C4'-P energy: -12.027
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: 7
=====================================
Write number: 426
Temperature: 1.100000
Total energy: -272.246545 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.246545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.246545 (E_RNA)
where:
Base-Base interactions energy: -184.436
where: short stacking energy: -83.474
Base-Backbone interact. energy: -0.427
local terms energy: -87.384089
where:
bonds (distance) C4'-P energy: -17.782
bonds (distance) P-C4' energy: -17.650
flat angles C4'-P-C4' energy: -18.084
flat angles P-C4'-P energy: -12.102
tors. eta vs tors. theta energy: -21.766
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: 6, replica: 10
=====================================
Write number: 426
Temperature: 1.150000
Total energy: -240.121354 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -240.121354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -240.121354 (E_RNA)
where:
Base-Base interactions energy: -164.279
where: short stacking energy: -70.862
Base-Backbone interact. energy: -0.696
local terms energy: -75.146847
where:
bonds (distance) C4'-P energy: -15.585
bonds (distance) P-C4' energy: -15.293
flat angles C4'-P-C4' energy: -18.439
flat angles P-C4'-P energy: -6.492
tors. eta vs tors. theta energy: -19.339
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: 8
=====================================
Write number: 426
Temperature: 1.200000
Total energy: -217.380079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.380079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.380079 (E_RNA)
where:
Base-Base interactions energy: -133.332
where: short stacking energy: -56.889
Base-Backbone interact. energy: -0.629
local terms energy: -83.419497
where:
bonds (distance) C4'-P energy: -18.121
bonds (distance) P-C4' energy: -19.078
flat angles C4'-P-C4' energy: -17.516
flat angles P-C4'-P energy: -8.287
tors. eta vs tors. theta energy: -20.418
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: 8, replica: 9
=====================================
Write number: 426
Temperature: 1.250000
Total energy: -176.428740 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.428740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.428740 (E_RNA)
where:
Base-Base interactions energy: -115.224
where: short stacking energy: -52.396
Base-Backbone interact. energy: 0.469
local terms energy: -61.673115
where:
bonds (distance) C4'-P energy: -11.788
bonds (distance) P-C4' energy: -18.466
flat angles C4'-P-C4' energy: -16.240
flat angles P-C4'-P energy: -10.896
tors. eta vs tors. theta energy: -4.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 426
Temperature: 1.300000
Total energy: -87.622343 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.622343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.622343 (E_RNA)
where:
Base-Base interactions energy: -33.570
where: short stacking energy: -27.476
Base-Backbone interact. energy: 0.447
local terms energy: -54.499691
where:
bonds (distance) C4'-P energy: -15.972
bonds (distance) P-C4' energy: -11.000
flat angles C4'-P-C4' energy: -17.154
flat angles P-C4'-P energy: -10.904
tors. eta vs tors. theta energy: 0.531
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 426
Temperature: 1.350000
Total energy: -92.676302 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.676302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.676302 (E_RNA)
where:
Base-Base interactions energy: -35.473
where: short stacking energy: -31.152
Base-Backbone interact. energy: -0.194
local terms energy: -57.009064
where:
bonds (distance) C4'-P energy: -13.249
bonds (distance) P-C4' energy: -17.014
flat angles C4'-P-C4' energy: -14.663
flat angles P-C4'-P energy: -9.694
tors. eta vs tors. theta energy: -2.388
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 427
Temperature: 0.900000
Total energy: -291.813476 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.813476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.813476 (E_RNA)
where:
Base-Base interactions energy: -201.498
where: short stacking energy: -74.874
Base-Backbone interact. energy: -0.220
local terms energy: -90.095476
where:
bonds (distance) C4'-P energy: -14.213
bonds (distance) P-C4' energy: -13.729
flat angles C4'-P-C4' energy: -21.626
flat angles P-C4'-P energy: -17.386
tors. eta vs tors. theta energy: -23.140
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 427
Temperature: 0.950000
Total energy: -277.977516 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.977516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.977516 (E_RNA)
where:
Base-Base interactions energy: -184.338
where: short stacking energy: -76.259
Base-Backbone interact. energy: -0.068
local terms energy: -93.571502
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -17.355
flat angles C4'-P-C4' energy: -19.668
flat angles P-C4'-P energy: -16.410
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: 3, replica: 3
=====================================
Write number: 427
Temperature: 1.000000
Total energy: -283.151848 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.151848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.151848 (E_RNA)
where:
Base-Base interactions energy: -187.367
where: short stacking energy: -80.573
Base-Backbone interact. energy: -0.126
local terms energy: -95.658805
where:
bonds (distance) C4'-P energy: -21.355
bonds (distance) P-C4' energy: -19.172
flat angles C4'-P-C4' energy: -20.546
flat angles P-C4'-P energy: -8.723
tors. eta vs tors. theta energy: -25.863
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 427
Temperature: 1.050000
Total energy: -271.453486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.453486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.453486 (E_RNA)
where:
Base-Base interactions energy: -182.401
where: short stacking energy: -75.209
Base-Backbone interact. energy: -0.368
local terms energy: -88.684317
where:
bonds (distance) C4'-P energy: -17.891
bonds (distance) P-C4' energy: -17.091
flat angles C4'-P-C4' energy: -19.460
flat angles P-C4'-P energy: -11.169
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: 5, replica: 5
=====================================
Write number: 427
Temperature: 1.100000
Total energy: -268.157883 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.157883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.157883 (E_RNA)
where:
Base-Base interactions energy: -179.070
where: short stacking energy: -74.174
Base-Backbone interact. energy: -0.047
local terms energy: -89.039979
where:
bonds (distance) C4'-P energy: -14.598
bonds (distance) P-C4' energy: -18.576
flat angles C4'-P-C4' energy: -18.209
flat angles P-C4'-P energy: -15.120
tors. eta vs tors. theta energy: -22.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 427
Temperature: 1.150000
Total energy: -262.117206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.117206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.117206 (E_RNA)
where:
Base-Base interactions energy: -173.741
where: short stacking energy: -65.978
Base-Backbone interact. energy: -0.060
local terms energy: -88.315752
where:
bonds (distance) C4'-P energy: -16.883
bonds (distance) P-C4' energy: -15.053
flat angles C4'-P-C4' energy: -18.042
flat angles P-C4'-P energy: -12.740
tors. eta vs tors. theta energy: -25.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 427
Temperature: 1.200000
Total energy: -171.344780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.344780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.344780 (E_RNA)
where:
Base-Base interactions energy: -109.041
where: short stacking energy: -58.242
Base-Backbone interact. energy: -1.222
local terms energy: -61.081117
where:
bonds (distance) C4'-P energy: -13.182
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -8.378
flat angles P-C4'-P energy: -11.871
tors. eta vs tors. theta energy: -14.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 427
Temperature: 1.250000
Total energy: -180.660122 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.660122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.660122 (E_RNA)
where:
Base-Base interactions energy: -114.922
where: short stacking energy: -40.219
Base-Backbone interact. energy: -0.174
local terms energy: -65.564205
where:
bonds (distance) C4'-P energy: -10.206
bonds (distance) P-C4' energy: -16.613
flat angles C4'-P-C4' energy: -19.684
flat angles P-C4'-P energy: -7.618
tors. eta vs tors. theta energy: -11.443
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 427
Temperature: 1.300000
Total energy: -114.613693 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -114.613693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -114.613693 (E_RNA)
where:
Base-Base interactions energy: -61.551
where: short stacking energy: -19.692
Base-Backbone interact. energy: -0.543
local terms energy: -52.519533
where:
bonds (distance) C4'-P energy: -10.736
bonds (distance) P-C4' energy: -15.738
flat angles C4'-P-C4' energy: -9.116
flat angles P-C4'-P energy: -11.723
tors. eta vs tors. theta energy: -5.206
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 427
Temperature: 1.350000
Total energy: -88.592447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.592447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.592447 (E_RNA)
where:
Base-Base interactions energy: -39.070
where: short stacking energy: -37.573
Base-Backbone interact. energy: -0.187
local terms energy: -49.335634
where:
bonds (distance) C4'-P energy: -13.382
bonds (distance) P-C4' energy: -17.623
flat angles C4'-P-C4' energy: -12.013
flat angles P-C4'-P energy: -5.969
tors. eta vs tors. theta energy: -0.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 428
Temperature: 0.900000
Total energy: -285.123667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.123667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.123667 (E_RNA)
where:
Base-Base interactions energy: -189.923
where: short stacking energy: -79.013
Base-Backbone interact. energy: -0.087
local terms energy: -95.113252
where:
bonds (distance) C4'-P energy: -18.821
bonds (distance) P-C4' energy: -20.476
flat angles C4'-P-C4' energy: -18.123
flat angles P-C4'-P energy: -9.661
tors. eta vs tors. theta energy: -28.031
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: 4
=====================================
Write number: 428
Temperature: 0.950000
Total energy: -287.762308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.762308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.762308 (E_RNA)
where:
Base-Base interactions energy: -198.495
where: short stacking energy: -73.466
Base-Backbone interact. energy: -0.918
local terms energy: -88.349378
where:
bonds (distance) C4'-P energy: -12.224
bonds (distance) P-C4' energy: -19.668
flat angles C4'-P-C4' energy: -21.479
flat angles P-C4'-P energy: -12.786
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: 3, replica: 3
=====================================
Write number: 428
Temperature: 1.000000
Total energy: -281.663825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.663825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.663825 (E_RNA)
where:
Base-Base interactions energy: -188.618
where: short stacking energy: -80.911
Base-Backbone interact. energy: -1.288
local terms energy: -91.758382
where:
bonds (distance) C4'-P energy: -16.777
bonds (distance) P-C4' energy: -17.263
flat angles C4'-P-C4' energy: -20.521
flat angles P-C4'-P energy: -12.430
tors. eta vs tors. theta energy: -24.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 428
Temperature: 1.050000
Total energy: -274.478225 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.478225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.478225 (E_RNA)
where:
Base-Base interactions energy: -189.234
where: short stacking energy: -69.854
Base-Backbone interact. energy: -0.242
local terms energy: -85.002813
where:
bonds (distance) C4'-P energy: -12.914
bonds (distance) P-C4' energy: -16.472
flat angles C4'-P-C4' energy: -17.746
flat angles P-C4'-P energy: -14.248
tors. eta vs tors. theta energy: -23.622
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 428
Temperature: 1.100000
Total energy: -265.972880 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.972880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.972880 (E_RNA)
where:
Base-Base interactions energy: -181.697
where: short stacking energy: -71.911
Base-Backbone interact. energy: -0.569
local terms energy: -83.706104
where:
bonds (distance) C4'-P energy: -14.823
bonds (distance) P-C4' energy: -16.811
flat angles C4'-P-C4' energy: -16.158
flat angles P-C4'-P energy: -11.366
tors. eta vs tors. theta energy: -24.548
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 428
Temperature: 1.150000
Total energy: -246.105714 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.105714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.105714 (E_RNA)
where:
Base-Base interactions energy: -166.493
where: short stacking energy: -79.071
Base-Backbone interact. energy: -0.121
local terms energy: -79.491659
where:
bonds (distance) C4'-P energy: -16.238
bonds (distance) P-C4' energy: -15.674
flat angles C4'-P-C4' energy: -14.979
flat angles P-C4'-P energy: -8.611
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: 7, replica: 8
=====================================
Write number: 428
Temperature: 1.200000
Total energy: -195.407875 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -195.407875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -195.407875 (E_RNA)
where:
Base-Base interactions energy: -123.703
where: short stacking energy: -56.354
Base-Backbone interact. energy: -0.048
local terms energy: -71.657041
where:
bonds (distance) C4'-P energy: -12.494
bonds (distance) P-C4' energy: -13.666
flat angles C4'-P-C4' energy: -18.492
flat angles P-C4'-P energy: -9.883
tors. eta vs tors. theta energy: -17.122
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: 9
=====================================
Write number: 428
Temperature: 1.250000
Total energy: -185.389412 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.389412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.389412 (E_RNA)
where:
Base-Base interactions energy: -121.844
where: short stacking energy: -45.646
Base-Backbone interact. energy: -0.271
local terms energy: -63.274218
where:
bonds (distance) C4'-P energy: -12.159
bonds (distance) P-C4' energy: -17.053
flat angles C4'-P-C4' energy: -18.290
flat angles P-C4'-P energy: -6.035
tors. eta vs tors. theta energy: -9.737
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: 9, replica: 2
=====================================
Write number: 428
Temperature: 1.300000
Total energy: -85.486842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.486842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.486842 (E_RNA)
where:
Base-Base interactions energy: -20.866
where: short stacking energy: -18.888
Base-Backbone interact. energy: -0.584
local terms energy: -64.036892
where:
bonds (distance) C4'-P energy: -18.334
bonds (distance) P-C4' energy: -16.600
flat angles C4'-P-C4' energy: -17.240
flat angles P-C4'-P energy: -13.813
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: 1
=====================================
Write number: 428
Temperature: 1.350000
Total energy: -153.304240 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -153.304240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -153.304240 (E_RNA)
where:
Base-Base interactions energy: -90.225
where: short stacking energy: -40.723
Base-Backbone interact. energy: 0.124
local terms energy: -63.203060
where:
bonds (distance) C4'-P energy: -15.013
bonds (distance) P-C4' energy: -13.500
flat angles C4'-P-C4' energy: -13.831
flat angles P-C4'-P energy: -10.302
tors. eta vs tors. theta energy: -10.557
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: 6
=====================================
Write number: 429
Temperature: 0.900000
Total energy: -282.369555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.369555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.369555 (E_RNA)
where:
Base-Base interactions energy: -193.953
where: short stacking energy: -67.897
Base-Backbone interact. energy: -0.213
local terms energy: -88.203510
where:
bonds (distance) C4'-P energy: -14.942
bonds (distance) P-C4' energy: -17.220
flat angles C4'-P-C4' energy: -19.674
flat angles P-C4'-P energy: -16.058
tors. eta vs tors. theta energy: -20.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 429
Temperature: 0.950000
Total energy: -282.141601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.141601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.141601 (E_RNA)
where:
Base-Base interactions energy: -197.015
where: short stacking energy: -79.714
Base-Backbone interact. energy: -0.012
local terms energy: -85.114622
where:
bonds (distance) C4'-P energy: -12.165
bonds (distance) P-C4' energy: -19.467
flat angles C4'-P-C4' energy: -13.458
flat angles P-C4'-P energy: -12.204
tors. eta vs tors. theta energy: -27.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 429
Temperature: 1.000000
Total energy: -278.682468 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.682468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.682468 (E_RNA)
where:
Base-Base interactions energy: -201.244
where: short stacking energy: -79.059
Base-Backbone interact. energy: -0.206
local terms energy: -77.232422
where:
bonds (distance) C4'-P energy: -8.637
bonds (distance) P-C4' energy: -16.779
flat angles C4'-P-C4' energy: -19.225
flat angles P-C4'-P energy: -13.140
tors. eta vs tors. theta energy: -19.452
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: 7
=====================================
Write number: 429
Temperature: 1.050000
Total energy: -272.493941 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.493941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.493941 (E_RNA)
where:
Base-Base interactions energy: -185.468
where: short stacking energy: -75.957
Base-Backbone interact. energy: -0.287
local terms energy: -86.738522
where:
bonds (distance) C4'-P energy: -19.384
bonds (distance) P-C4' energy: -17.850
flat angles C4'-P-C4' energy: -17.229
flat angles P-C4'-P energy: -12.308
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: 5, replica: 5
=====================================
Write number: 429
Temperature: 1.100000
Total energy: -264.528410 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.528410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.528410 (E_RNA)
where:
Base-Base interactions energy: -177.976
where: short stacking energy: -69.303
Base-Backbone interact. energy: -1.278
local terms energy: -85.275024
where:
bonds (distance) C4'-P energy: -13.499
bonds (distance) P-C4' energy: -18.097
flat angles C4'-P-C4' energy: -18.429
flat angles P-C4'-P energy: -12.297
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: 10
=====================================
Write number: 429
Temperature: 1.150000
Total energy: -247.782460 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.782460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.782460 (E_RNA)
where:
Base-Base interactions energy: -165.328
where: short stacking energy: -75.235
Base-Backbone interact. energy: 1.807
local terms energy: -84.261536
where:
bonds (distance) C4'-P energy: -14.684
bonds (distance) P-C4' energy: -15.247
flat angles C4'-P-C4' energy: -15.799
flat angles P-C4'-P energy: -13.574
tors. eta vs tors. theta energy: -24.958
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 429
Temperature: 1.200000
Total energy: -178.975965 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -178.975965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -178.975965 (E_RNA)
where:
Base-Base interactions energy: -121.171
where: short stacking energy: -40.502
Base-Backbone interact. energy: -0.896
local terms energy: -56.908737
where:
bonds (distance) C4'-P energy: -13.133
bonds (distance) P-C4' energy: -18.808
flat angles C4'-P-C4' energy: -8.465
flat angles P-C4'-P energy: -11.616
tors. eta vs tors. theta energy: -4.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 429
Temperature: 1.250000
Total energy: -144.593694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -144.593694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -144.593694 (E_RNA)
where:
Base-Base interactions energy: -87.055
where: short stacking energy: -38.164
Base-Backbone interact. energy: -0.359
local terms energy: -57.179164
where:
bonds (distance) C4'-P energy: -20.431
bonds (distance) P-C4' energy: -14.074
flat angles C4'-P-C4' energy: -16.030
flat angles P-C4'-P energy: -1.707
tors. eta vs tors. theta energy: -4.935
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: 9, replica: 2
=====================================
Write number: 429
Temperature: 1.300000
Total energy: -88.729864 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.729864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.729864 (E_RNA)
where:
Base-Base interactions energy: -42.891
where: short stacking energy: -30.610
Base-Backbone interact. energy: -0.149
local terms energy: -45.689630
where:
bonds (distance) C4'-P energy: -18.343
bonds (distance) P-C4' energy: -16.435
flat angles C4'-P-C4' energy: -11.610
flat angles P-C4'-P energy: -5.361
tors. eta vs tors. theta energy: 6.060
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 429
Temperature: 1.350000
Total energy: -132.056444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.056444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.056444 (E_RNA)
where:
Base-Base interactions energy: -72.290
where: short stacking energy: -37.107
Base-Backbone interact. energy: 0.350
local terms energy: -60.116647
where:
bonds (distance) C4'-P energy: -14.764
bonds (distance) P-C4' energy: -11.527
flat angles C4'-P-C4' energy: -15.759
flat angles P-C4'-P energy: -11.997
tors. eta vs tors. theta energy: -6.069
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 430
Temperature: 0.900000
Total energy: -281.181573 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.181573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.181573 (E_RNA)
where:
Base-Base interactions energy: -192.843
where: short stacking energy: -79.361
Base-Backbone interact. energy: -0.926
local terms energy: -87.413260
where:
bonds (distance) C4'-P energy: -14.919
bonds (distance) P-C4' energy: -19.286
flat angles C4'-P-C4' energy: -19.313
flat angles P-C4'-P energy: -13.149
tors. eta vs tors. theta energy: -20.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 430
Temperature: 0.950000
Total energy: -284.538797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.538797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.538797 (E_RNA)
where:
Base-Base interactions energy: -192.847
where: short stacking energy: -83.925
Base-Backbone interact. energy: -0.932
local terms energy: -90.760546
where:
bonds (distance) C4'-P energy: -17.108
bonds (distance) P-C4' energy: -21.085
flat angles C4'-P-C4' energy: -17.269
flat angles P-C4'-P energy: -10.898
tors. eta vs tors. theta energy: -24.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 430
Temperature: 1.000000
Total energy: -276.219841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.219841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.219841 (E_RNA)
where:
Base-Base interactions energy: -189.762
where: short stacking energy: -80.228
Base-Backbone interact. energy: -0.307
local terms energy: -86.151140
where:
bonds (distance) C4'-P energy: -16.325
bonds (distance) P-C4' energy: -15.155
flat angles C4'-P-C4' energy: -19.092
flat angles P-C4'-P energy: -11.527
tors. eta vs tors. theta energy: -24.052
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 430
Temperature: 1.050000
Total energy: -275.224455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.224455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.224455 (E_RNA)
where:
Base-Base interactions energy: -190.828
where: short stacking energy: -80.718
Base-Backbone interact. energy: -0.737
local terms energy: -83.659162
where:
bonds (distance) C4'-P energy: -14.282
bonds (distance) P-C4' energy: -15.150
flat angles C4'-P-C4' energy: -20.527
flat angles P-C4'-P energy: -10.985
tors. eta vs tors. theta energy: -22.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 430
Temperature: 1.100000
Total energy: -271.550349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.550349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.550349 (E_RNA)
where:
Base-Base interactions energy: -182.883
where: short stacking energy: -71.745
Base-Backbone interact. energy: -0.170
local terms energy: -88.497096
where:
bonds (distance) C4'-P energy: -16.880
bonds (distance) P-C4' energy: -16.582
flat angles C4'-P-C4' energy: -18.501
flat angles P-C4'-P energy: -12.430
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: 6, replica: 5
=====================================
Write number: 430
Temperature: 1.150000
Total energy: -256.560917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.560917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.560917 (E_RNA)
where:
Base-Base interactions energy: -171.223
where: short stacking energy: -72.773
Base-Backbone interact. energy: -0.069
local terms energy: -85.268229
where:
bonds (distance) C4'-P energy: -11.287
bonds (distance) P-C4' energy: -17.077
flat angles C4'-P-C4' energy: -16.832
flat angles P-C4'-P energy: -13.077
tors. eta vs tors. theta energy: -26.995
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 430
Temperature: 1.200000
Total energy: -121.815061 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -121.815061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -121.815061 (E_RNA)
where:
Base-Base interactions energy: -57.705
where: short stacking energy: -34.144
Base-Backbone interact. energy: -0.353
local terms energy: -63.757052
where:
bonds (distance) C4'-P energy: -17.144
bonds (distance) P-C4' energy: -17.451
flat angles C4'-P-C4' energy: -18.630
flat angles P-C4'-P energy: -6.909
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: 430
Temperature: 1.250000
Total energy: -189.142691 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.142691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.142691 (E_RNA)
where:
Base-Base interactions energy: -115.836
where: short stacking energy: -52.305
Base-Backbone interact. energy: -0.165
local terms energy: -73.141553
where:
bonds (distance) C4'-P energy: -17.137
bonds (distance) P-C4' energy: -16.078
flat angles C4'-P-C4' energy: -16.709
flat angles P-C4'-P energy: -11.396
tors. eta vs tors. theta energy: -11.822
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: 1
=====================================
Write number: 430
Temperature: 1.300000
Total energy: -104.119341 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.119341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.119341 (E_RNA)
where:
Base-Base interactions energy: -48.740
where: short stacking energy: -38.716
Base-Backbone interact. energy: -0.045
local terms energy: -55.334796
where:
bonds (distance) C4'-P energy: -11.718
bonds (distance) P-C4' energy: -12.310
flat angles C4'-P-C4' energy: -15.726
flat angles P-C4'-P energy: -10.889
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: 10, replica: 2
=====================================
Write number: 430
Temperature: 1.350000
Total energy: -79.190604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -79.190604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -79.190604 (E_RNA)
where:
Base-Base interactions energy: -26.615
where: short stacking energy: -21.529
Base-Backbone interact. energy: -0.107
local terms energy: -52.469151
where:
bonds (distance) C4'-P energy: -13.643
bonds (distance) P-C4' energy: -20.741
flat angles C4'-P-C4' energy: -9.181
flat angles P-C4'-P energy: -6.648
tors. eta vs tors. theta energy: -2.257
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 431
Temperature: 0.900000
Total energy: -290.921393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.921393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.921393 (E_RNA)
where:
Base-Base interactions energy: -199.323
where: short stacking energy: -79.623
Base-Backbone interact. energy: -0.011
local terms energy: -91.587842
where:
bonds (distance) C4'-P energy: -15.025
bonds (distance) P-C4' energy: -18.392
flat angles C4'-P-C4' energy: -19.182
flat angles P-C4'-P energy: -12.424
tors. eta vs tors. theta energy: -26.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 431
Temperature: 0.950000
Total energy: -281.377444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.377444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.377444 (E_RNA)
where:
Base-Base interactions energy: -197.099
where: short stacking energy: -73.998
Base-Backbone interact. energy: -0.338
local terms energy: -83.940839
where:
bonds (distance) C4'-P energy: -16.228
bonds (distance) P-C4' energy: -14.591
flat angles C4'-P-C4' energy: -17.630
flat angles P-C4'-P energy: -15.696
tors. eta vs tors. theta energy: -19.796
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: 3
=====================================
Write number: 431
Temperature: 1.000000
Total energy: -279.392816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.392816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.392816 (E_RNA)
where:
Base-Base interactions energy: -190.853
where: short stacking energy: -80.557
Base-Backbone interact. energy: -0.135
local terms energy: -88.404646
where:
bonds (distance) C4'-P energy: -19.893
bonds (distance) P-C4' energy: -17.602
flat angles C4'-P-C4' energy: -15.799
flat angles P-C4'-P energy: -8.695
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: 4, replica: 10
=====================================
Write number: 431
Temperature: 1.050000
Total energy: -262.124823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.124823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.124823 (E_RNA)
where:
Base-Base interactions energy: -180.277
where: short stacking energy: -84.480
Base-Backbone interact. energy: -0.055
local terms energy: -81.792390
where:
bonds (distance) C4'-P energy: -8.798
bonds (distance) P-C4' energy: -15.154
flat angles C4'-P-C4' energy: -18.567
flat angles P-C4'-P energy: -12.771
tors. eta vs tors. theta energy: -26.503
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 431
Temperature: 1.100000
Total energy: -268.725565 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.725565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.725565 (E_RNA)
where:
Base-Base interactions energy: -178.727
where: short stacking energy: -64.137
Base-Backbone interact. energy: -0.120
local terms energy: -89.878589
where:
bonds (distance) C4'-P energy: -17.663
bonds (distance) P-C4' energy: -20.063
flat angles C4'-P-C4' energy: -19.186
flat angles P-C4'-P energy: -13.085
tors. eta vs tors. theta energy: -19.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 431
Temperature: 1.150000
Total energy: -244.363469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.363469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.363469 (E_RNA)
where:
Base-Base interactions energy: -165.195
where: short stacking energy: -69.329
Base-Backbone interact. energy: -0.280
local terms energy: -78.888927
where:
bonds (distance) C4'-P energy: -15.367
bonds (distance) P-C4' energy: -11.308
flat angles C4'-P-C4' energy: -18.188
flat angles P-C4'-P energy: -13.645
tors. eta vs tors. theta energy: -20.380
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 431
Temperature: 1.200000
Total energy: -102.071638 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.071638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.071638 (E_RNA)
where:
Base-Base interactions energy: -31.922
where: short stacking energy: -28.780
Base-Backbone interact. energy: 0.691
local terms energy: -70.839856
where:
bonds (distance) C4'-P energy: -19.273
bonds (distance) P-C4' energy: -16.100
flat angles C4'-P-C4' energy: -15.643
flat angles P-C4'-P energy: -15.964
tors. eta vs tors. theta energy: -3.859
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 431
Temperature: 1.250000
Total energy: -102.955890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.955890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.955890 (E_RNA)
where:
Base-Base interactions energy: -36.919
where: short stacking energy: -28.831
Base-Backbone interact. energy: -0.170
local terms energy: -65.866795
where:
bonds (distance) C4'-P energy: -16.330
bonds (distance) P-C4' energy: -15.990
flat angles C4'-P-C4' energy: -17.001
flat angles P-C4'-P energy: -12.377
tors. eta vs tors. theta energy: -4.169
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 431
Temperature: 1.300000
Total energy: -189.651827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.651827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.651827 (E_RNA)
where:
Base-Base interactions energy: -128.787
where: short stacking energy: -48.840
Base-Backbone interact. energy: -0.442
local terms energy: -60.423137
where:
bonds (distance) C4'-P energy: -17.981
bonds (distance) P-C4' energy: -11.369
flat angles C4'-P-C4' energy: -15.568
flat angles P-C4'-P energy: -5.682
tors. eta vs tors. theta energy: -9.823
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: 2
=====================================
Write number: 431
Temperature: 1.350000
Total energy: -95.792727 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.792727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.792727 (E_RNA)
where:
Base-Base interactions energy: -36.508
where: short stacking energy: -31.340
Base-Backbone interact. energy: 6.039
local terms energy: -65.323610
where:
bonds (distance) C4'-P energy: -16.204
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -17.900
flat angles P-C4'-P energy: -6.267
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: 1, replica: 6
=====================================
Write number: 432
Temperature: 0.900000
Total energy: -291.142246 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.142246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.142246 (E_RNA)
where:
Base-Base interactions energy: -197.539
where: short stacking energy: -81.555
Base-Backbone interact. energy: -0.000
local terms energy: -93.603172
where:
bonds (distance) C4'-P energy: -17.332
bonds (distance) P-C4' energy: -17.621
flat angles C4'-P-C4' energy: -16.511
flat angles P-C4'-P energy: -16.006
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: 7
=====================================
Write number: 432
Temperature: 0.950000
Total energy: -283.703699 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.703699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.703699 (E_RNA)
where:
Base-Base interactions energy: -194.629
where: short stacking energy: -80.342
Base-Backbone interact. energy: -0.009
local terms energy: -89.065965
where:
bonds (distance) C4'-P energy: -13.366
bonds (distance) P-C4' energy: -20.423
flat angles C4'-P-C4' energy: -18.522
flat angles P-C4'-P energy: -11.431
tors. eta vs tors. theta energy: -25.324
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: 3, replica: 3
=====================================
Write number: 432
Temperature: 1.000000
Total energy: -285.352139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.352139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.352139 (E_RNA)
where:
Base-Base interactions energy: -195.960
where: short stacking energy: -70.786
Base-Backbone interact. energy: -0.273
local terms energy: -89.119463
where:
bonds (distance) C4'-P energy: -14.429
bonds (distance) P-C4' energy: -16.318
flat angles C4'-P-C4' energy: -18.207
flat angles P-C4'-P energy: -15.519
tors. eta vs tors. theta energy: -24.646
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 432
Temperature: 1.050000
Total energy: -262.649360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.649360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.649360 (E_RNA)
where:
Base-Base interactions energy: -175.511
where: short stacking energy: -77.818
Base-Backbone interact. energy: -0.025
local terms energy: -87.113459
where:
bonds (distance) C4'-P energy: -16.756
bonds (distance) P-C4' energy: -17.553
flat angles C4'-P-C4' energy: -16.906
flat angles P-C4'-P energy: -10.197
tors. eta vs tors. theta energy: -25.701
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 432
Temperature: 1.100000
Total energy: -260.286957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.286957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.286957 (E_RNA)
where:
Base-Base interactions energy: -176.785
where: short stacking energy: -74.868
Base-Backbone interact. energy: -0.048
local terms energy: -83.454208
where:
bonds (distance) C4'-P energy: -15.289
bonds (distance) P-C4' energy: -15.208
flat angles C4'-P-C4' energy: -16.176
flat angles P-C4'-P energy: -14.734
tors. eta vs tors. theta energy: -22.048
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 432
Temperature: 1.150000
Total energy: -265.844409 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.844409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.844409 (E_RNA)
where:
Base-Base interactions energy: -185.618
where: short stacking energy: -69.413
Base-Backbone interact. energy: -0.450
local terms energy: -79.776279
where:
bonds (distance) C4'-P energy: -11.188
bonds (distance) P-C4' energy: -17.999
flat angles C4'-P-C4' energy: -15.829
flat angles P-C4'-P energy: -12.480
tors. eta vs tors. theta energy: -22.281
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 432
Temperature: 1.200000
Total energy: -98.199039 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.199039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.199039 (E_RNA)
where:
Base-Base interactions energy: -33.229
where: short stacking energy: -25.339
Base-Backbone interact. energy: -0.060
local terms energy: -64.909949
where:
bonds (distance) C4'-P energy: -17.036
bonds (distance) P-C4' energy: -19.457
flat angles C4'-P-C4' energy: -15.430
flat angles P-C4'-P energy: -11.920
tors. eta vs tors. theta energy: -1.067
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 432
Temperature: 1.250000
Total energy: -93.014391 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.014391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.014391 (E_RNA)
where:
Base-Base interactions energy: -33.150
where: short stacking energy: -31.051
Base-Backbone interact. energy: -0.492
local terms energy: -59.372515
where:
bonds (distance) C4'-P energy: -13.847
bonds (distance) P-C4' energy: -15.695
flat angles C4'-P-C4' energy: -12.324
flat angles P-C4'-P energy: -14.730
tors. eta vs tors. theta energy: -2.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 432
Temperature: 1.300000
Total energy: -225.091218 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.091218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.091218 (E_RNA)
where:
Base-Base interactions energy: -164.808
where: short stacking energy: -52.872
Base-Backbone interact. energy: -0.342
local terms energy: -59.940822
where:
bonds (distance) C4'-P energy: -15.008
bonds (distance) P-C4' energy: -12.986
flat angles C4'-P-C4' energy: -17.131
flat angles P-C4'-P energy: -8.550
tors. eta vs tors. theta energy: -6.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 432
Temperature: 1.350000
Total energy: -90.179498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.179498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.179498 (E_RNA)
where:
Base-Base interactions energy: -32.315
where: short stacking energy: -32.315
Base-Backbone interact. energy: -0.174
local terms energy: -57.690788
where:
bonds (distance) C4'-P energy: -17.609
bonds (distance) P-C4' energy: -17.286
flat angles C4'-P-C4' energy: -10.261
flat angles P-C4'-P energy: -10.240
tors. eta vs tors. theta energy: -2.294
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 433
Temperature: 0.900000
Total energy: -294.679495 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.679495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.679495 (E_RNA)
where:
Base-Base interactions energy: -197.939
where: short stacking energy: -85.005
Base-Backbone interact. energy: -1.647
local terms energy: -95.093445
where:
bonds (distance) C4'-P energy: -17.993
bonds (distance) P-C4' energy: -17.525
flat angles C4'-P-C4' energy: -19.912
flat angles P-C4'-P energy: -13.390
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: 3
=====================================
Write number: 433
Temperature: 0.950000
Total energy: -279.509821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.509821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.509821 (E_RNA)
where:
Base-Base interactions energy: -192.527
where: short stacking energy: -77.179
Base-Backbone interact. energy: -0.282
local terms energy: -86.700764
where:
bonds (distance) C4'-P energy: -14.151
bonds (distance) P-C4' energy: -17.850
flat angles C4'-P-C4' energy: -18.777
flat angles P-C4'-P energy: -12.797
tors. eta vs tors. theta energy: -23.127
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 433
Temperature: 1.000000
Total energy: -279.674675 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.674675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.674675 (E_RNA)
where:
Base-Base interactions energy: -193.076
where: short stacking energy: -80.216
Base-Backbone interact. energy: -0.193
local terms energy: -86.406220
where:
bonds (distance) C4'-P energy: -16.863
bonds (distance) P-C4' energy: -16.726
flat angles C4'-P-C4' energy: -18.407
flat angles P-C4'-P energy: -15.111
tors. eta vs tors. theta energy: -19.299
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 433
Temperature: 1.050000
Total energy: -278.065360 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.065360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.065360 (E_RNA)
where:
Base-Base interactions energy: -190.293
where: short stacking energy: -77.395
Base-Backbone interact. energy: -0.002
local terms energy: -87.770362
where:
bonds (distance) C4'-P energy: -15.313
bonds (distance) P-C4' energy: -16.806
flat angles C4'-P-C4' energy: -20.031
flat angles P-C4'-P energy: -10.261
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: 5, replica: 10
=====================================
Write number: 433
Temperature: 1.100000
Total energy: -262.059381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.059381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.059381 (E_RNA)
where:
Base-Base interactions energy: -176.311
where: short stacking energy: -74.822
Base-Backbone interact. energy: -0.098
local terms energy: -85.650150
where:
bonds (distance) C4'-P energy: -18.412
bonds (distance) P-C4' energy: -15.600
flat angles C4'-P-C4' energy: -16.380
flat angles P-C4'-P energy: -12.231
tors. eta vs tors. theta energy: -23.027
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 433
Temperature: 1.150000
Total energy: -263.422249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.422249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.422249 (E_RNA)
where:
Base-Base interactions energy: -179.082
where: short stacking energy: -78.627
Base-Backbone interact. energy: -0.472
local terms energy: -83.868076
where:
bonds (distance) C4'-P energy: -20.734
bonds (distance) P-C4' energy: -10.560
flat angles C4'-P-C4' energy: -15.835
flat angles P-C4'-P energy: -12.056
tors. eta vs tors. theta energy: -24.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 9
=====================================
Write number: 433
Temperature: 1.200000
Total energy: -124.107328 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.107328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.107328 (E_RNA)
where:
Base-Base interactions energy: -54.710
where: short stacking energy: -30.350
Base-Backbone interact. energy: -0.537
local terms energy: -68.859862
where:
bonds (distance) C4'-P energy: -18.847
bonds (distance) P-C4' energy: -16.120
flat angles C4'-P-C4' energy: -14.461
flat angles P-C4'-P energy: -9.640
tors. eta vs tors. theta energy: -9.791
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 433
Temperature: 1.250000
Total energy: -217.452362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -217.452362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -217.452362 (E_RNA)
where:
Base-Base interactions energy: -147.941
where: short stacking energy: -56.609
Base-Backbone interact. energy: -0.590
local terms energy: -68.921030
where:
bonds (distance) C4'-P energy: -10.074
bonds (distance) P-C4' energy: -16.297
flat angles C4'-P-C4' energy: -14.872
flat angles P-C4'-P energy: -13.298
tors. eta vs tors. theta energy: -14.381
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 433
Temperature: 1.300000
Total energy: -102.987301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.987301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.987301 (E_RNA)
where:
Base-Base interactions energy: -47.435
where: short stacking energy: -42.924
Base-Backbone interact. energy: 1.750
local terms energy: -57.301725
where:
bonds (distance) C4'-P energy: -14.800
bonds (distance) P-C4' energy: -13.803
flat angles C4'-P-C4' energy: -18.027
flat angles P-C4'-P energy: -5.361
tors. eta vs tors. theta energy: -5.311
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 433
Temperature: 1.350000
Total energy: -89.445159 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.445159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.445159 (E_RNA)
where:
Base-Base interactions energy: -33.499
where: short stacking energy: -23.484
Base-Backbone interact. energy: -1.308
local terms energy: -54.638974
where:
bonds (distance) C4'-P energy: -11.242
bonds (distance) P-C4' energy: -12.231
flat angles C4'-P-C4' energy: -14.536
flat angles P-C4'-P energy: -7.583
tors. eta vs tors. theta energy: -9.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 434
Temperature: 0.900000
Total energy: -289.055764 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.055764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.055764 (E_RNA)
where:
Base-Base interactions energy: -195.391
where: short stacking energy: -81.702
Base-Backbone interact. energy: -0.231
local terms energy: -93.433945
where:
bonds (distance) C4'-P energy: -18.238
bonds (distance) P-C4' energy: -18.557
flat angles C4'-P-C4' energy: -17.078
flat angles P-C4'-P energy: -13.636
tors. eta vs tors. theta energy: -25.924
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 434
Temperature: 0.950000
Total energy: -282.271927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.271927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.271927 (E_RNA)
where:
Base-Base interactions energy: -194.475
where: short stacking energy: -73.955
Base-Backbone interact. energy: 0.147
local terms energy: -87.944176
where:
bonds (distance) C4'-P energy: -15.708
bonds (distance) P-C4' energy: -18.083
flat angles C4'-P-C4' energy: -17.875
flat angles P-C4'-P energy: -11.546
tors. eta vs tors. theta energy: -24.733
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 434
Temperature: 1.000000
Total energy: -277.164627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.164627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.164627 (E_RNA)
where:
Base-Base interactions energy: -193.636
where: short stacking energy: -72.269
Base-Backbone interact. energy: -0.720
local terms energy: -82.807934
where:
bonds (distance) C4'-P energy: -13.764
bonds (distance) P-C4' energy: -20.564
flat angles C4'-P-C4' energy: -19.220
flat angles P-C4'-P energy: -11.286
tors. eta vs tors. theta energy: -17.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 434
Temperature: 1.050000
Total energy: -275.482901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.482901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.482901 (E_RNA)
where:
Base-Base interactions energy: -193.871
where: short stacking energy: -77.766
Base-Backbone interact. energy: -1.334
local terms energy: -80.278271
where:
bonds (distance) C4'-P energy: -6.290
bonds (distance) P-C4' energy: -18.184
flat angles C4'-P-C4' energy: -18.276
flat angles P-C4'-P energy: -12.693
tors. eta vs tors. theta energy: -24.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 434
Temperature: 1.100000
Total energy: -270.291105 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.291105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.291105 (E_RNA)
where:
Base-Base interactions energy: -182.322
where: short stacking energy: -75.151
Base-Backbone interact. energy: -0.642
local terms energy: -87.327206
where:
bonds (distance) C4'-P energy: -16.507
bonds (distance) P-C4' energy: -16.830
flat angles C4'-P-C4' energy: -18.822
flat angles P-C4'-P energy: -10.681
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: 10
=====================================
Write number: 434
Temperature: 1.150000
Total energy: -260.479771 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.479771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.479771 (E_RNA)
where:
Base-Base interactions energy: -181.840
where: short stacking energy: -69.089
Base-Backbone interact. energy: -0.077
local terms energy: -78.562827
where:
bonds (distance) C4'-P energy: -11.552
bonds (distance) P-C4' energy: -11.787
flat angles C4'-P-C4' energy: -17.567
flat angles P-C4'-P energy: -15.733
tors. eta vs tors. theta energy: -21.923
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 434
Temperature: 1.200000
Total energy: -172.996359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.996359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.996359 (E_RNA)
where:
Base-Base interactions energy: -106.042
where: short stacking energy: -40.321
Base-Backbone interact. energy: 1.705
local terms energy: -68.660065
where:
bonds (distance) C4'-P energy: -18.352
bonds (distance) P-C4' energy: -15.859
flat angles C4'-P-C4' energy: -13.280
flat angles P-C4'-P energy: -13.824
tors. eta vs tors. theta energy: -7.345
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: 434
Temperature: 1.250000
Total energy: -91.800483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.800483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.800483 (E_RNA)
where:
Base-Base interactions energy: -35.795
where: short stacking energy: -35.795
Base-Backbone interact. energy: 0.116
local terms energy: -56.121984
where:
bonds (distance) C4'-P energy: -16.784
bonds (distance) P-C4' energy: -17.441
flat angles C4'-P-C4' energy: -11.059
flat angles P-C4'-P energy: -9.855
tors. eta vs tors. theta energy: -0.982
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 434
Temperature: 1.300000
Total energy: -84.273421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.273421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.273421 (E_RNA)
where:
Base-Base interactions energy: -28.091
where: short stacking energy: -27.552
Base-Backbone interact. energy: -0.108
local terms energy: -56.074418
where:
bonds (distance) C4'-P energy: -16.805
bonds (distance) P-C4' energy: -19.940
flat angles C4'-P-C4' energy: -11.450
flat angles P-C4'-P energy: -7.198
tors. eta vs tors. theta energy: -0.682
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 1
=====================================
Write number: 434
Temperature: 1.350000
Total energy: -80.463132 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.463132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.463132 (E_RNA)
where:
Base-Base interactions energy: -32.751
where: short stacking energy: -30.813
Base-Backbone interact. energy: 0.932
local terms energy: -48.644052
where:
bonds (distance) C4'-P energy: -15.686
bonds (distance) P-C4' energy: -15.491
flat angles C4'-P-C4' energy: -11.463
flat angles P-C4'-P energy: -11.006
tors. eta vs tors. theta energy: 5.003
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 435
Temperature: 0.900000
Total energy: -292.640047 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.640047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.640047 (E_RNA)
where:
Base-Base interactions energy: -198.326
where: short stacking energy: -83.777
Base-Backbone interact. energy: -0.246
local terms energy: -94.068200
where:
bonds (distance) C4'-P energy: -17.669
bonds (distance) P-C4' energy: -21.056
flat angles C4'-P-C4' energy: -17.216
flat angles P-C4'-P energy: -14.283
tors. eta vs tors. theta energy: -23.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 435
Temperature: 0.950000
Total energy: -286.556955 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.556955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.556955 (E_RNA)
where:
Base-Base interactions energy: -193.221
where: short stacking energy: -78.789
Base-Backbone interact. energy: -0.552
local terms energy: -92.784225
where:
bonds (distance) C4'-P energy: -19.905
bonds (distance) P-C4' energy: -13.894
flat angles C4'-P-C4' energy: -20.500
flat angles P-C4'-P energy: -16.978
tors. eta vs tors. theta energy: -21.507
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 435
Temperature: 1.000000
Total energy: -276.771529 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.771529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.771529 (E_RNA)
where:
Base-Base interactions energy: -191.801
where: short stacking energy: -73.012
Base-Backbone interact. energy: -0.152
local terms energy: -84.819105
where:
bonds (distance) C4'-P energy: -17.063
bonds (distance) P-C4' energy: -11.973
flat angles C4'-P-C4' energy: -17.207
flat angles P-C4'-P energy: -15.950
tors. eta vs tors. theta energy: -22.626
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 435
Temperature: 1.050000
Total energy: -272.081282 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.081282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.081282 (E_RNA)
where:
Base-Base interactions energy: -181.364
where: short stacking energy: -69.459
Base-Backbone interact. energy: 0.406
local terms energy: -91.122928
where:
bonds (distance) C4'-P energy: -19.269
bonds (distance) P-C4' energy: -18.784
flat angles C4'-P-C4' energy: -16.241
flat angles P-C4'-P energy: -15.680
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: 5, replica: 7
=====================================
Write number: 435
Temperature: 1.100000
Total energy: -268.560115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.560115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.560115 (E_RNA)
where:
Base-Base interactions energy: -186.764
where: short stacking energy: -74.608
Base-Backbone interact. energy: -0.029
local terms energy: -81.767852
where:
bonds (distance) C4'-P energy: -14.978
bonds (distance) P-C4' energy: -14.740
flat angles C4'-P-C4' energy: -17.837
flat angles P-C4'-P energy: -10.975
tors. eta vs tors. theta energy: -23.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 435
Temperature: 1.150000
Total energy: -271.441851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.441851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.441851 (E_RNA)
where:
Base-Base interactions energy: -187.071
where: short stacking energy: -83.438
Base-Backbone interact. energy: 1.599
local terms energy: -85.969590
where:
bonds (distance) C4'-P energy: -14.088
bonds (distance) P-C4' energy: -18.371
flat angles C4'-P-C4' energy: -19.270
flat angles P-C4'-P energy: -9.343
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: 8
=====================================
Write number: 435
Temperature: 1.200000
Total energy: -171.669621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -171.669621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -171.669621 (E_RNA)
where:
Base-Base interactions energy: -106.683
where: short stacking energy: -43.948
Base-Backbone interact. energy: -0.631
local terms energy: -64.355644
where:
bonds (distance) C4'-P energy: -9.742
bonds (distance) P-C4' energy: -11.584
flat angles C4'-P-C4' energy: -18.360
flat angles P-C4'-P energy: -11.865
tors. eta vs tors. theta energy: -12.805
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: 435
Temperature: 1.250000
Total energy: -87.503390 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.503390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.503390 (E_RNA)
where:
Base-Base interactions energy: -31.621
where: short stacking energy: -25.894
Base-Backbone interact. energy: -0.086
local terms energy: -55.797246
where:
bonds (distance) C4'-P energy: -8.765
bonds (distance) P-C4' energy: -18.024
flat angles C4'-P-C4' energy: -15.459
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -3.688
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 435
Temperature: 1.300000
Total energy: -128.165621 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.165621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.165621 (E_RNA)
where:
Base-Base interactions energy: -61.696
where: short stacking energy: -36.672
Base-Backbone interact. energy: 1.917
local terms energy: -68.387108
where:
bonds (distance) C4'-P energy: -12.610
bonds (distance) P-C4' energy: -17.853
flat angles C4'-P-C4' energy: -18.650
flat angles P-C4'-P energy: -13.275
tors. eta vs tors. theta energy: -5.999
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: 1
=====================================
Write number: 435
Temperature: 1.350000
Total energy: -126.993521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -126.993521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -126.993521 (E_RNA)
where:
Base-Base interactions energy: -80.715
where: short stacking energy: -32.813
Base-Backbone interact. energy: -0.530
local terms energy: -45.749080
where:
bonds (distance) C4'-P energy: -12.964
bonds (distance) P-C4' energy: -10.811
flat angles C4'-P-C4' energy: -13.882
flat angles P-C4'-P energy: -0.223
tors. eta vs tors. theta energy: -7.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 436
Temperature: 0.900000
Total energy: -287.073186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.073186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.073186 (E_RNA)
where:
Base-Base interactions energy: -198.268
where: short stacking energy: -81.667
Base-Backbone interact. energy: -0.001
local terms energy: -88.804501
where:
bonds (distance) C4'-P energy: -15.695
bonds (distance) P-C4' energy: -17.325
flat angles C4'-P-C4' energy: -18.014
flat angles P-C4'-P energy: -11.940
tors. eta vs tors. theta energy: -25.831
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 436
Temperature: 0.950000
Total energy: -283.204351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.204351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.204351 (E_RNA)
where:
Base-Base interactions energy: -199.899
where: short stacking energy: -79.692
Base-Backbone interact. energy: -1.276
local terms energy: -82.029509
where:
bonds (distance) C4'-P energy: -14.267
bonds (distance) P-C4' energy: -13.536
flat angles C4'-P-C4' energy: -18.955
flat angles P-C4'-P energy: -11.761
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: 3, replica: 4
=====================================
Write number: 436
Temperature: 1.000000
Total energy: -283.412320 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.412320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.412320 (E_RNA)
where:
Base-Base interactions energy: -187.719
where: short stacking energy: -74.052
Base-Backbone interact. energy: -0.586
local terms energy: -95.106608
where:
bonds (distance) C4'-P energy: -19.073
bonds (distance) P-C4' energy: -20.602
flat angles C4'-P-C4' energy: -19.751
flat angles P-C4'-P energy: -13.748
tors. eta vs tors. theta energy: -21.932
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: 4, replica: 5
=====================================
Write number: 436
Temperature: 1.050000
Total energy: -268.839154 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.839154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.839154 (E_RNA)
where:
Base-Base interactions energy: -181.870
where: short stacking energy: -89.233
Base-Backbone interact. energy: -0.093
local terms energy: -86.876290
where:
bonds (distance) C4'-P energy: -13.794
bonds (distance) P-C4' energy: -19.495
flat angles C4'-P-C4' energy: -18.852
flat angles P-C4'-P energy: -9.844
tors. eta vs tors. theta energy: -24.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 436
Temperature: 1.100000
Total energy: -268.651104 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.651104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.651104 (E_RNA)
where:
Base-Base interactions energy: -184.984
where: short stacking energy: -74.994
Base-Backbone interact. energy: -1.230
local terms energy: -82.436755
where:
bonds (distance) C4'-P energy: -13.870
bonds (distance) P-C4' energy: -19.868
flat angles C4'-P-C4' energy: -17.359
flat angles P-C4'-P energy: -10.520
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: 7
=====================================
Write number: 436
Temperature: 1.150000
Total energy: -263.845386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.845386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.845386 (E_RNA)
where:
Base-Base interactions energy: -186.294
where: short stacking energy: -75.106
Base-Backbone interact. energy: -0.324
local terms energy: -77.227544
where:
bonds (distance) C4'-P energy: -18.776
bonds (distance) P-C4' energy: -11.304
flat angles C4'-P-C4' energy: -16.508
flat angles P-C4'-P energy: -11.407
tors. eta vs tors. theta energy: -19.233
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 436
Temperature: 1.200000
Total energy: -210.750656 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.750656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.750656 (E_RNA)
where:
Base-Base interactions energy: -137.069
where: short stacking energy: -52.269
Base-Backbone interact. energy: -1.296
local terms energy: -72.385482
where:
bonds (distance) C4'-P energy: -15.540
bonds (distance) P-C4' energy: -21.176
flat angles C4'-P-C4' energy: -15.957
flat angles P-C4'-P energy: -9.056
tors. eta vs tors. theta energy: -10.657
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: 2
=====================================
Write number: 436
Temperature: 1.250000
Total energy: -100.725082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.725082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.725082 (E_RNA)
where:
Base-Base interactions energy: -50.684
where: short stacking energy: -33.995
Base-Backbone interact. energy: 0.836
local terms energy: -50.877442
where:
bonds (distance) C4'-P energy: -13.593
bonds (distance) P-C4' energy: -15.989
flat angles C4'-P-C4' energy: -14.272
flat angles P-C4'-P energy: -7.522
tors. eta vs tors. theta energy: 0.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 1
=====================================
Write number: 436
Temperature: 1.300000
Total energy: -160.851995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -160.851995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -160.851995 (E_RNA)
where:
Base-Base interactions energy: -97.844
where: short stacking energy: -45.323
Base-Backbone interact. energy: -0.184
local terms energy: -62.823975
where:
bonds (distance) C4'-P energy: -13.257
bonds (distance) P-C4' energy: -12.477
flat angles C4'-P-C4' energy: -18.476
flat angles P-C4'-P energy: -9.421
tors. eta vs tors. theta energy: -9.193
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 436
Temperature: 1.350000
Total energy: -88.694230 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.694230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.694230 (E_RNA)
where:
Base-Base interactions energy: -26.220
where: short stacking energy: -20.852
Base-Backbone interact. energy: -0.079
local terms energy: -62.394745
where:
bonds (distance) C4'-P energy: -18.155
bonds (distance) P-C4' energy: -17.487
flat angles C4'-P-C4' energy: -10.711
flat angles P-C4'-P energy: -10.435
tors. eta vs tors. theta energy: -5.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 437
Temperature: 0.900000
Total energy: -286.149402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.149402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.149402 (E_RNA)
where:
Base-Base interactions energy: -197.121
where: short stacking energy: -81.385
Base-Backbone interact. energy: 0.270
local terms energy: -89.298241
where:
bonds (distance) C4'-P energy: -16.578
bonds (distance) P-C4' energy: -15.118
flat angles C4'-P-C4' energy: -19.279
flat angles P-C4'-P energy: -12.879
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: 2, replica: 4
=====================================
Write number: 437
Temperature: 0.950000
Total energy: -293.712737 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.712737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.712737 (E_RNA)
where:
Base-Base interactions energy: -197.859
where: short stacking energy: -79.991
Base-Backbone interact. energy: -2.126
local terms energy: -93.728540
where:
bonds (distance) C4'-P energy: -10.310
bonds (distance) P-C4' energy: -20.197
flat angles C4'-P-C4' energy: -19.458
flat angles P-C4'-P energy: -16.168
tors. eta vs tors. theta energy: -27.597
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 437
Temperature: 1.000000
Total energy: -279.101718 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.101718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.101718 (E_RNA)
where:
Base-Base interactions energy: -183.696
where: short stacking energy: -76.586
Base-Backbone interact. energy: -0.127
local terms energy: -95.278724
where:
bonds (distance) C4'-P energy: -18.859
bonds (distance) P-C4' energy: -19.929
flat angles C4'-P-C4' energy: -19.766
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -25.668
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 437
Temperature: 1.050000
Total energy: -275.603997 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.603997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.603997 (E_RNA)
where:
Base-Base interactions energy: -187.366
where: short stacking energy: -76.597
Base-Backbone interact. energy: -1.139
local terms energy: -87.099226
where:
bonds (distance) C4'-P energy: -14.216
bonds (distance) P-C4' energy: -17.284
flat angles C4'-P-C4' energy: -20.520
flat angles P-C4'-P energy: -13.793
tors. eta vs tors. theta energy: -21.286
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 437
Temperature: 1.100000
Total energy: -264.358162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.358162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.358162 (E_RNA)
where:
Base-Base interactions energy: -187.318
where: short stacking energy: -70.203
Base-Backbone interact. energy: -0.322
local terms energy: -76.718494
where:
bonds (distance) C4'-P energy: -11.106
bonds (distance) P-C4' energy: -15.869
flat angles C4'-P-C4' energy: -18.825
flat angles P-C4'-P energy: -13.340
tors. eta vs tors. theta energy: -17.578
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: 6, replica: 7
=====================================
Write number: 437
Temperature: 1.150000
Total energy: -243.994038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.994038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.994038 (E_RNA)
where:
Base-Base interactions energy: -168.652
where: short stacking energy: -66.400
Base-Backbone interact. energy: -0.038
local terms energy: -75.303766
where:
bonds (distance) C4'-P energy: -15.810
bonds (distance) P-C4' energy: -14.967
flat angles C4'-P-C4' energy: -16.612
flat angles P-C4'-P energy: -8.329
tors. eta vs tors. theta energy: -19.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 437
Temperature: 1.200000
Total energy: -204.909894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -204.909894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -204.909894 (E_RNA)
where:
Base-Base interactions energy: -137.010
where: short stacking energy: -53.944
Base-Backbone interact. energy: -0.049
local terms energy: -67.850802
where:
bonds (distance) C4'-P energy: -13.229
bonds (distance) P-C4' energy: -18.710
flat angles C4'-P-C4' energy: -15.299
flat angles P-C4'-P energy: -8.261
tors. eta vs tors. theta energy: -12.352
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 437
Temperature: 1.250000
Total energy: -166.226450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.226450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.226450 (E_RNA)
where:
Base-Base interactions energy: -101.111
where: short stacking energy: -44.910
Base-Backbone interact. energy: -0.782
local terms energy: -64.332819
where:
bonds (distance) C4'-P energy: -18.851
bonds (distance) P-C4' energy: -10.561
flat angles C4'-P-C4' energy: -11.754
flat angles P-C4'-P energy: -9.643
tors. eta vs tors. theta energy: -13.524
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 437
Temperature: 1.300000
Total energy: -91.518171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.518171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.518171 (E_RNA)
where:
Base-Base interactions energy: -34.702
where: short stacking energy: -29.140
Base-Backbone interact. energy: -0.615
local terms energy: -56.201219
where:
bonds (distance) C4'-P energy: -16.548
bonds (distance) P-C4' energy: -16.780
flat angles C4'-P-C4' energy: -11.693
flat angles P-C4'-P energy: -9.279
tors. eta vs tors. theta energy: -1.901
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 437
Temperature: 1.350000
Total energy: -86.525016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.525016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.525016 (E_RNA)
where:
Base-Base interactions energy: -32.727
where: short stacking energy: -24.214
Base-Backbone interact. energy: -0.388
local terms energy: -53.409835
where:
bonds (distance) C4'-P energy: -16.445
bonds (distance) P-C4' energy: -15.694
flat angles C4'-P-C4' energy: -15.182
flat angles P-C4'-P energy: -5.729
tors. eta vs tors. theta energy: -0.360
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 438
Temperature: 0.900000
Total energy: -292.693173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.693173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.693173 (E_RNA)
where:
Base-Base interactions energy: -197.890
where: short stacking energy: -86.578
Base-Backbone interact. energy: -0.001
local terms energy: -94.801972
where:
bonds (distance) C4'-P energy: -18.387
bonds (distance) P-C4' energy: -15.420
flat angles C4'-P-C4' energy: -18.844
flat angles P-C4'-P energy: -17.606
tors. eta vs tors. theta energy: -24.545
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: 6
=====================================
Write number: 438
Temperature: 0.950000
Total energy: -277.589202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.589202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.589202 (E_RNA)
where:
Base-Base interactions energy: -191.369
where: short stacking energy: -79.884
Base-Backbone interact. energy: -0.037
local terms energy: -86.183002
where:
bonds (distance) C4'-P energy: -13.742
bonds (distance) P-C4' energy: -18.270
flat angles C4'-P-C4' energy: -21.346
flat angles P-C4'-P energy: -7.236
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: 3, replica: 5
=====================================
Write number: 438
Temperature: 1.000000
Total energy: -270.621044 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.621044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.621044 (E_RNA)
where:
Base-Base interactions energy: -186.346
where: short stacking energy: -65.667
Base-Backbone interact. energy: -0.434
local terms energy: -83.840996
where:
bonds (distance) C4'-P energy: -12.585
bonds (distance) P-C4' energy: -17.101
flat angles C4'-P-C4' energy: -18.580
flat angles P-C4'-P energy: -13.436
tors. eta vs tors. theta energy: -22.139
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 438
Temperature: 1.050000
Total energy: -273.780533 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.780533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.780533 (E_RNA)
where:
Base-Base interactions energy: -177.182
where: short stacking energy: -70.255
Base-Backbone interact. energy: -0.101
local terms energy: -96.497744
where:
bonds (distance) C4'-P energy: -18.838
bonds (distance) P-C4' energy: -19.321
flat angles C4'-P-C4' energy: -20.584
flat angles P-C4'-P energy: -13.032
tors. eta vs tors. theta energy: -24.722
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 438
Temperature: 1.100000
Total energy: -211.907851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -211.907851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -211.907851 (E_RNA)
where:
Base-Base interactions energy: -135.824
where: short stacking energy: -45.018
Base-Backbone interact. energy: -0.283
local terms energy: -75.801243
where:
bonds (distance) C4'-P energy: -18.273
bonds (distance) P-C4' energy: -17.716
flat angles C4'-P-C4' energy: -16.132
flat angles P-C4'-P energy: -12.741
tors. eta vs tors. theta energy: -10.939
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 438
Temperature: 1.150000
Total energy: -259.474423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.474423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.474423 (E_RNA)
where:
Base-Base interactions energy: -170.074
where: short stacking energy: -71.075
Base-Backbone interact. energy: -0.730
local terms energy: -88.670192
where:
bonds (distance) C4'-P energy: -16.238
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -19.128
flat angles P-C4'-P energy: -14.815
tors. eta vs tors. theta energy: -20.938
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: 8
=====================================
Write number: 438
Temperature: 1.200000
Total energy: -203.925254 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -203.925254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -203.925254 (E_RNA)
where:
Base-Base interactions energy: -137.628
where: short stacking energy: -57.286
Base-Backbone interact. energy: -1.180
local terms energy: -65.116765
where:
bonds (distance) C4'-P energy: -12.446
bonds (distance) P-C4' energy: -17.604
flat angles C4'-P-C4' energy: -12.069
flat angles P-C4'-P energy: -8.268
tors. eta vs tors. theta energy: -14.731
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: 1
=====================================
Write number: 438
Temperature: 1.250000
Total energy: -159.352801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -159.352801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -159.352801 (E_RNA)
where:
Base-Base interactions energy: -98.684
where: short stacking energy: -41.866
Base-Backbone interact. energy: 0.131
local terms energy: -60.799373
where:
bonds (distance) C4'-P energy: -13.613
bonds (distance) P-C4' energy: -10.745
flat angles C4'-P-C4' energy: -11.521
flat angles P-C4'-P energy: -14.200
tors. eta vs tors. theta energy: -10.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 438
Temperature: 1.300000
Total energy: -80.409255 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.409255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.409255 (E_RNA)
where:
Base-Base interactions energy: -31.829
where: short stacking energy: -27.542
Base-Backbone interact. energy: 0.141
local terms energy: -48.721633
where:
bonds (distance) C4'-P energy: -14.974
bonds (distance) P-C4' energy: -19.242
flat angles C4'-P-C4' energy: -7.436
flat angles P-C4'-P energy: -8.013
tors. eta vs tors. theta energy: 0.943
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 438
Temperature: 1.350000
Total energy: -87.771427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.771427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.771427 (E_RNA)
where:
Base-Base interactions energy: -35.689
where: short stacking energy: -30.799
Base-Backbone interact. energy: -0.513
local terms energy: -51.569275
where:
bonds (distance) C4'-P energy: -9.179
bonds (distance) P-C4' energy: -16.367
flat angles C4'-P-C4' energy: -14.159
flat angles P-C4'-P energy: -6.546
tors. eta vs tors. theta energy: -5.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 439
Temperature: 0.900000
Total energy: -290.630857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.630857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.630857 (E_RNA)
where:
Base-Base interactions energy: -196.209
where: short stacking energy: -79.728
Base-Backbone interact. energy: -2.274
local terms energy: -92.147343
where:
bonds (distance) C4'-P energy: -15.173
bonds (distance) P-C4' energy: -21.053
flat angles C4'-P-C4' energy: -19.468
flat angles P-C4'-P energy: -11.318
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: 2, replica: 5
=====================================
Write number: 439
Temperature: 0.950000
Total energy: -284.498173 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.498173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.498173 (E_RNA)
where:
Base-Base interactions energy: -190.390
where: short stacking energy: -75.773
Base-Backbone interact. energy: -0.614
local terms energy: -93.493909
where:
bonds (distance) C4'-P energy: -17.605
bonds (distance) P-C4' energy: -18.591
flat angles C4'-P-C4' energy: -18.679
flat angles P-C4'-P energy: -13.685
tors. eta vs tors. theta energy: -24.933
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 439
Temperature: 1.000000
Total energy: -277.418482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.418482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.418482 (E_RNA)
where:
Base-Base interactions energy: -194.283
where: short stacking energy: -82.293
Base-Backbone interact. energy: -0.123
local terms energy: -83.012581
where:
bonds (distance) C4'-P energy: -14.808
bonds (distance) P-C4' energy: -19.456
flat angles C4'-P-C4' energy: -15.708
flat angles P-C4'-P energy: -12.366
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: 439
Temperature: 1.050000
Total energy: -266.699458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.699458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.699458 (E_RNA)
where:
Base-Base interactions energy: -188.960
where: short stacking energy: -76.160
Base-Backbone interact. energy: -1.363
local terms energy: -76.376533
where:
bonds (distance) C4'-P energy: -14.031
bonds (distance) P-C4' energy: -11.792
flat angles C4'-P-C4' energy: -18.965
flat angles P-C4'-P energy: -10.257
tors. eta vs tors. theta energy: -21.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 439
Temperature: 1.100000
Total energy: -253.822447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.822447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.822447 (E_RNA)
where:
Base-Base interactions energy: -170.793
where: short stacking energy: -72.124
Base-Backbone interact. energy: -0.094
local terms energy: -82.935335
where:
bonds (distance) C4'-P energy: -15.311
bonds (distance) P-C4' energy: -17.462
flat angles C4'-P-C4' energy: -17.250
flat angles P-C4'-P energy: -10.711
tors. eta vs tors. theta energy: -22.201
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 439
Temperature: 1.150000
Total energy: -251.871645 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.871645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.871645 (E_RNA)
where:
Base-Base interactions energy: -169.278
where: short stacking energy: -63.253
Base-Backbone interact. energy: 1.107
local terms energy: -83.700104
where:
bonds (distance) C4'-P energy: -18.370
bonds (distance) P-C4' energy: -16.175
flat angles C4'-P-C4' energy: -15.745
flat angles P-C4'-P energy: -11.727
tors. eta vs tors. theta energy: -21.683
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 439
Temperature: 1.200000
Total energy: -177.290551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -177.290551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -177.290551 (E_RNA)
where:
Base-Base interactions energy: -107.684
where: short stacking energy: -47.575
Base-Backbone interact. energy: -0.207
local terms energy: -69.399903
where:
bonds (distance) C4'-P energy: -12.028
bonds (distance) P-C4' energy: -18.460
flat angles C4'-P-C4' energy: -13.781
flat angles P-C4'-P energy: -11.008
tors. eta vs tors. theta energy: -14.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 439
Temperature: 1.250000
Total energy: -154.808708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -154.808708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -154.808708 (E_RNA)
where:
Base-Base interactions energy: -100.006
where: short stacking energy: -44.859
Base-Backbone interact. energy: 1.454
local terms energy: -56.256160
where:
bonds (distance) C4'-P energy: -13.691
bonds (distance) P-C4' energy: -17.419
flat angles C4'-P-C4' energy: -14.810
flat angles P-C4'-P energy: -3.763
tors. eta vs tors. theta energy: -6.573
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 439
Temperature: 1.300000
Total energy: -106.532076 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.532076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.532076 (E_RNA)
where:
Base-Base interactions energy: -43.701
where: short stacking energy: -40.394
Base-Backbone interact. energy: -0.230
local terms energy: -62.601285
where:
bonds (distance) C4'-P energy: -12.315
bonds (distance) P-C4' energy: -17.907
flat angles C4'-P-C4' energy: -14.774
flat angles P-C4'-P energy: -10.156
tors. eta vs tors. theta energy: -7.448
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 439
Temperature: 1.350000
Total energy: -88.023633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.023633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.023633 (E_RNA)
where:
Base-Base interactions energy: -38.717
where: short stacking energy: -38.717
Base-Backbone interact. energy: -0.094
local terms energy: -49.212544
where:
bonds (distance) C4'-P energy: -14.925
bonds (distance) P-C4' energy: -17.734
flat angles C4'-P-C4' energy: -7.049
flat angles P-C4'-P energy: -3.449
tors. eta vs tors. theta energy: -6.056
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 440
Temperature: 0.900000
Total energy: -290.488572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.488572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.488572 (E_RNA)
where:
Base-Base interactions energy: -203.494
where: short stacking energy: -83.098
Base-Backbone interact. energy: -1.810
local terms energy: -85.184254
where:
bonds (distance) C4'-P energy: -14.836
bonds (distance) P-C4' energy: -16.162
flat angles C4'-P-C4' energy: -17.229
flat angles P-C4'-P energy: -12.249
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: 2, replica: 4
=====================================
Write number: 440
Temperature: 0.950000
Total energy: -274.497092 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.497092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.497092 (E_RNA)
where:
Base-Base interactions energy: -179.565
where: short stacking energy: -71.183
Base-Backbone interact. energy: 0.763
local terms energy: -95.694554
where:
bonds (distance) C4'-P energy: -17.952
bonds (distance) P-C4' energy: -20.397
flat angles C4'-P-C4' energy: -19.711
flat angles P-C4'-P energy: -13.082
tors. eta vs tors. theta energy: -24.552
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: 3, replica: 3
=====================================
Write number: 440
Temperature: 1.000000
Total energy: -282.396364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.396364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.396364 (E_RNA)
where:
Base-Base interactions energy: -190.861
where: short stacking energy: -78.166
Base-Backbone interact. energy: -0.574
local terms energy: -90.961631
where:
bonds (distance) C4'-P energy: -20.030
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -17.334
flat angles P-C4'-P energy: -11.161
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: 6
=====================================
Write number: 440
Temperature: 1.050000
Total energy: -271.013279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.013279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.013279 (E_RNA)
where:
Base-Base interactions energy: -192.669
where: short stacking energy: -78.867
Base-Backbone interact. energy: 0.750
local terms energy: -79.093596
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -16.227
flat angles C4'-P-C4' energy: -15.491
flat angles P-C4'-P energy: -11.586
tors. eta vs tors. theta energy: -20.023
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: 10
=====================================
Write number: 440
Temperature: 1.100000
Total energy: -268.526002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.526002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.526002 (E_RNA)
where:
Base-Base interactions energy: -179.256
where: short stacking energy: -73.632
Base-Backbone interact. energy: -0.092
local terms energy: -89.178295
where:
bonds (distance) C4'-P energy: -16.508
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -19.893
flat angles P-C4'-P energy: -15.123
tors. eta vs tors. theta energy: -20.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 440
Temperature: 1.150000
Total energy: -266.910286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.910286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.910286 (E_RNA)
where:
Base-Base interactions energy: -178.424
where: short stacking energy: -72.504
Base-Backbone interact. energy: -0.711
local terms energy: -87.775111
where:
bonds (distance) C4'-P energy: -18.067
bonds (distance) P-C4' energy: -18.019
flat angles C4'-P-C4' energy: -16.612
flat angles P-C4'-P energy: -14.195
tors. eta vs tors. theta energy: -20.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 440
Temperature: 1.200000
Total energy: -168.415708 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -168.415708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -168.415708 (E_RNA)
where:
Base-Base interactions energy: -92.989
where: short stacking energy: -37.805
Base-Backbone interact. energy: -0.561
local terms energy: -74.866125
where:
bonds (distance) C4'-P energy: -15.488
bonds (distance) P-C4' energy: -20.341
flat angles C4'-P-C4' energy: -19.965
flat angles P-C4'-P energy: -14.111
tors. eta vs tors. theta energy: -4.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 440
Temperature: 1.250000
Total energy: -192.951636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.951636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.951636 (E_RNA)
where:
Base-Base interactions energy: -122.376
where: short stacking energy: -51.093
Base-Backbone interact. energy: -1.139
local terms energy: -69.436825
where:
bonds (distance) C4'-P energy: -12.176
bonds (distance) P-C4' energy: -17.667
flat angles C4'-P-C4' energy: -17.180
flat angles P-C4'-P energy: -12.965
tors. eta vs tors. theta energy: -9.449
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 440
Temperature: 1.300000
Total energy: -87.592920 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.592920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.592920 (E_RNA)
where:
Base-Base interactions energy: -38.070
where: short stacking energy: -33.181
Base-Backbone interact. energy: -0.300
local terms energy: -49.222794
where:
bonds (distance) C4'-P energy: -10.112
bonds (distance) P-C4' energy: -15.877
flat angles C4'-P-C4' energy: -5.814
flat angles P-C4'-P energy: -13.796
tors. eta vs tors. theta energy: -3.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 440
Temperature: 1.350000
Total energy: -88.445223 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.445223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.445223 (E_RNA)
where:
Base-Base interactions energy: -39.496
where: short stacking energy: -34.438
Base-Backbone interact. energy: -0.181
local terms energy: -48.768405
where:
bonds (distance) C4'-P energy: -12.346
bonds (distance) P-C4' energy: -17.955
flat angles C4'-P-C4' energy: -12.566
flat angles P-C4'-P energy: -5.988
tors. eta vs tors. theta energy: 0.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 441
Temperature: 0.900000
Total energy: -283.209305 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.209305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.209305 (E_RNA)
where:
Base-Base interactions energy: -190.611
where: short stacking energy: -76.361
Base-Backbone interact. energy: -0.012
local terms energy: -92.585960
where:
bonds (distance) C4'-P energy: -17.650
bonds (distance) P-C4' energy: -18.030
flat angles C4'-P-C4' energy: -21.248
flat angles P-C4'-P energy: -15.406
tors. eta vs tors. theta energy: -20.252
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 441
Temperature: 0.950000
Total energy: -286.993964 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.993964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.993964 (E_RNA)
where:
Base-Base interactions energy: -194.808
where: short stacking energy: -85.149
Base-Backbone interact. energy: -1.124
local terms energy: -91.061663
where:
bonds (distance) C4'-P energy: -17.469
bonds (distance) P-C4' energy: -17.866
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -15.537
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: 4
=====================================
Write number: 441
Temperature: 1.000000
Total energy: -281.065515 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.065515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.065515 (E_RNA)
where:
Base-Base interactions energy: -188.283
where: short stacking energy: -81.738
Base-Backbone interact. energy: -0.001
local terms energy: -92.780763
where:
bonds (distance) C4'-P energy: -19.628
bonds (distance) P-C4' energy: -18.138
flat angles C4'-P-C4' energy: -17.881
flat angles P-C4'-P energy: -13.596
tors. eta vs tors. theta energy: -23.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 441
Temperature: 1.050000
Total energy: -272.788359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.788359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.788359 (E_RNA)
where:
Base-Base interactions energy: -186.543
where: short stacking energy: -84.535
Base-Backbone interact. energy: -0.436
local terms energy: -85.809491
where:
bonds (distance) C4'-P energy: -10.616
bonds (distance) P-C4' energy: -18.393
flat angles C4'-P-C4' energy: -18.515
flat angles P-C4'-P energy: -13.482
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: 5, replica: 6
=====================================
Write number: 441
Temperature: 1.100000
Total energy: -270.363408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.363408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.363408 (E_RNA)
where:
Base-Base interactions energy: -187.605
where: short stacking energy: -73.421
Base-Backbone interact. energy: -0.070
local terms energy: -82.688852
where:
bonds (distance) C4'-P energy: -14.087
bonds (distance) P-C4' energy: -17.348
flat angles C4'-P-C4' energy: -19.191
flat angles P-C4'-P energy: -12.175
tors. eta vs tors. theta energy: -19.889
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 441
Temperature: 1.150000
Total energy: -263.233785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.233785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.233785 (E_RNA)
where:
Base-Base interactions energy: -177.188
where: short stacking energy: -69.249
Base-Backbone interact. energy: -0.741
local terms energy: -85.304962
where:
bonds (distance) C4'-P energy: -17.241
bonds (distance) P-C4' energy: -18.716
flat angles C4'-P-C4' energy: -17.858
flat angles P-C4'-P energy: -9.988
tors. eta vs tors. theta energy: -21.502
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 441
Temperature: 1.200000
Total energy: -189.414710 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.414710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.414710 (E_RNA)
where:
Base-Base interactions energy: -117.817
where: short stacking energy: -56.307
Base-Backbone interact. energy: 0.085
local terms energy: -71.682402
where:
bonds (distance) C4'-P energy: -15.704
bonds (distance) P-C4' energy: -17.312
flat angles C4'-P-C4' energy: -16.918
flat angles P-C4'-P energy: -13.024
tors. eta vs tors. theta energy: -8.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 441
Temperature: 1.250000
Total energy: -202.002507 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.002507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.002507 (E_RNA)
where:
Base-Base interactions energy: -136.381
where: short stacking energy: -63.146
Base-Backbone interact. energy: -0.477
local terms energy: -65.144569
where:
bonds (distance) C4'-P energy: -13.264
bonds (distance) P-C4' energy: -18.425
flat angles C4'-P-C4' energy: -16.196
flat angles P-C4'-P energy: -1.760
tors. eta vs tors. theta energy: -15.500
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 441
Temperature: 1.300000
Total energy: -94.637381 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.637381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.637381 (E_RNA)
where:
Base-Base interactions energy: -39.804
where: short stacking energy: -39.156
Base-Backbone interact. energy: -0.212
local terms energy: -54.621610
where:
bonds (distance) C4'-P energy: -9.133
bonds (distance) P-C4' energy: -17.030
flat angles C4'-P-C4' energy: -15.974
flat angles P-C4'-P energy: -2.404
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: 10, replica: 2
=====================================
Write number: 441
Temperature: 1.350000
Total energy: -94.522071 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.522071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.522071 (E_RNA)
where:
Base-Base interactions energy: -37.678
where: short stacking energy: -29.435
Base-Backbone interact. energy: 0.333
local terms energy: -57.177198
where:
bonds (distance) C4'-P energy: -14.829
bonds (distance) P-C4' energy: -20.345
flat angles C4'-P-C4' energy: -10.433
flat angles P-C4'-P energy: -6.969
tors. eta vs tors. theta energy: -4.601
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 442
Temperature: 0.900000
Total energy: -288.620038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.620038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.620038 (E_RNA)
where:
Base-Base interactions energy: -193.693
where: short stacking energy: -80.696
Base-Backbone interact. energy: -0.540
local terms energy: -94.387050
where:
bonds (distance) C4'-P energy: -18.886
bonds (distance) P-C4' energy: -17.277
flat angles C4'-P-C4' energy: -20.182
flat angles P-C4'-P energy: -11.954
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: 2, replica: 5
=====================================
Write number: 442
Temperature: 0.950000
Total energy: -278.524842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.524842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.524842 (E_RNA)
where:
Base-Base interactions energy: -201.478
where: short stacking energy: -71.271
Base-Backbone interact. energy: -0.590
local terms energy: -76.456317
where:
bonds (distance) C4'-P energy: -18.379
bonds (distance) P-C4' energy: -17.579
flat angles C4'-P-C4' energy: -12.281
flat angles P-C4'-P energy: -9.332
tors. eta vs tors. theta energy: -18.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 442
Temperature: 1.000000
Total energy: -276.314766 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.314766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.314766 (E_RNA)
where:
Base-Base interactions energy: -187.037
where: short stacking energy: -77.099
Base-Backbone interact. energy: -1.282
local terms energy: -87.996279
where:
bonds (distance) C4'-P energy: -14.694
bonds (distance) P-C4' energy: -20.265
flat angles C4'-P-C4' energy: -14.760
flat angles P-C4'-P energy: -12.096
tors. eta vs tors. theta energy: -26.182
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 442
Temperature: 1.050000
Total energy: -274.911295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.911295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.911295 (E_RNA)
where:
Base-Base interactions energy: -184.562
where: short stacking energy: -76.402
Base-Backbone interact. energy: -1.058
local terms energy: -89.291020
where:
bonds (distance) C4'-P energy: -17.115
bonds (distance) P-C4' energy: -13.015
flat angles C4'-P-C4' energy: -17.855
flat angles P-C4'-P energy: -15.517
tors. eta vs tors. theta energy: -25.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 442
Temperature: 1.100000
Total energy: -269.883208 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.883208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.883208 (E_RNA)
where:
Base-Base interactions energy: -186.058
where: short stacking energy: -72.039
Base-Backbone interact. energy: -0.023
local terms energy: -83.802122
where:
bonds (distance) C4'-P energy: -11.137
bonds (distance) P-C4' energy: -17.248
flat angles C4'-P-C4' energy: -20.008
flat angles P-C4'-P energy: -10.587
tors. eta vs tors. theta energy: -24.822
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: 6, replica: 6
=====================================
Write number: 442
Temperature: 1.150000
Total energy: -258.536110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.536110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.536110 (E_RNA)
where:
Base-Base interactions energy: -180.499
where: short stacking energy: -70.161
Base-Backbone interact. energy: -0.013
local terms energy: -78.024149
where:
bonds (distance) C4'-P energy: -17.187
bonds (distance) P-C4' energy: -14.033
flat angles C4'-P-C4' energy: -16.717
flat angles P-C4'-P energy: -10.810
tors. eta vs tors. theta energy: -19.276
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: 442
Temperature: 1.200000
Total energy: -225.432323 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -225.432323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -225.432323 (E_RNA)
where:
Base-Base interactions energy: -146.301
where: short stacking energy: -61.213
Base-Backbone interact. energy: -0.130
local terms energy: -79.000743
where:
bonds (distance) C4'-P energy: -15.360
bonds (distance) P-C4' energy: -17.633
flat angles C4'-P-C4' energy: -18.515
flat angles P-C4'-P energy: -9.385
tors. eta vs tors. theta energy: -18.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 442
Temperature: 1.250000
Total energy: -172.420326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.420326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.420326 (E_RNA)
where:
Base-Base interactions energy: -107.888
where: short stacking energy: -36.237
Base-Backbone interact. energy: -0.432
local terms energy: -64.100635
where:
bonds (distance) C4'-P energy: -15.591
bonds (distance) P-C4' energy: -11.701
flat angles C4'-P-C4' energy: -17.152
flat angles P-C4'-P energy: -14.972
tors. eta vs tors. theta energy: -4.685
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 442
Temperature: 1.300000
Total energy: -100.552198 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.552198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.552198 (E_RNA)
where:
Base-Base interactions energy: -38.566
where: short stacking energy: -37.866
Base-Backbone interact. energy: 0.096
local terms energy: -62.081799
where:
bonds (distance) C4'-P energy: -16.933
bonds (distance) P-C4' energy: -12.782
flat angles C4'-P-C4' energy: -15.964
flat angles P-C4'-P energy: -8.972
tors. eta vs tors. theta energy: -7.431
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 442
Temperature: 1.350000
Total energy: -88.373266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.373266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.373266 (E_RNA)
where:
Base-Base interactions energy: -29.434
where: short stacking energy: -29.399
Base-Backbone interact. energy: -0.235
local terms energy: -58.703726
where:
bonds (distance) C4'-P energy: -11.574
bonds (distance) P-C4' energy: -13.504
flat angles C4'-P-C4' energy: -16.163
flat angles P-C4'-P energy: -12.988
tors. eta vs tors. theta energy: -4.475
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 443
Temperature: 0.900000
Total energy: -289.164263 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.164263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.164263 (E_RNA)
where:
Base-Base interactions energy: -191.272
where: short stacking energy: -83.205
Base-Backbone interact. energy: -0.016
local terms energy: -97.876567
where:
bonds (distance) C4'-P energy: -20.916
bonds (distance) P-C4' energy: -18.611
flat angles C4'-P-C4' energy: -21.097
flat angles P-C4'-P energy: -12.236
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: 2, replica: 10
=====================================
Write number: 443
Temperature: 0.950000
Total energy: -284.574015 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.574015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.574015 (E_RNA)
where:
Base-Base interactions energy: -189.803
where: short stacking energy: -71.759
Base-Backbone interact. energy: -0.776
local terms energy: -93.995570
where:
bonds (distance) C4'-P energy: -17.818
bonds (distance) P-C4' energy: -20.035
flat angles C4'-P-C4' energy: -21.326
flat angles P-C4'-P energy: -12.970
tors. eta vs tors. theta energy: -21.846
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: 5
=====================================
Write number: 443
Temperature: 1.000000
Total energy: -282.197425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.197425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.197425 (E_RNA)
where:
Base-Base interactions energy: -193.088
where: short stacking energy: -74.150
Base-Backbone interact. energy: -2.252
local terms energy: -86.857309
where:
bonds (distance) C4'-P energy: -19.542
bonds (distance) P-C4' energy: -19.701
flat angles C4'-P-C4' energy: -15.204
flat angles P-C4'-P energy: -12.152
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: 4, replica: 4
=====================================
Write number: 443
Temperature: 1.050000
Total energy: -273.820566 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.820566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.820566 (E_RNA)
where:
Base-Base interactions energy: -183.947
where: short stacking energy: -74.995
Base-Backbone interact. energy: -0.019
local terms energy: -89.855056
where:
bonds (distance) C4'-P energy: -12.577
bonds (distance) P-C4' energy: -19.371
flat angles C4'-P-C4' energy: -18.584
flat angles P-C4'-P energy: -13.728
tors. eta vs tors. theta energy: -25.596
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 443
Temperature: 1.100000
Total energy: -265.106110 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.106110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.106110 (E_RNA)
where:
Base-Base interactions energy: -180.681
where: short stacking energy: -69.922
Base-Backbone interact. energy: -0.208
local terms energy: -84.217520
where:
bonds (distance) C4'-P energy: -18.565
bonds (distance) P-C4' energy: -20.130
flat angles C4'-P-C4' energy: -18.201
flat angles P-C4'-P energy: -13.630
tors. eta vs tors. theta energy: -13.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 443
Temperature: 1.150000
Total energy: -191.460615 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.460615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.460615 (E_RNA)
where:
Base-Base interactions energy: -127.952
where: short stacking energy: -60.664
Base-Backbone interact. energy: -0.006
local terms energy: -63.502070
where:
bonds (distance) C4'-P energy: -14.428
bonds (distance) P-C4' energy: -14.486
flat angles C4'-P-C4' energy: -16.935
flat angles P-C4'-P energy: -8.770
tors. eta vs tors. theta energy: -8.884
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 6
=====================================
Write number: 443
Temperature: 1.200000
Total energy: -258.178112 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.178112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.178112 (E_RNA)
where:
Base-Base interactions energy: -183.932
where: short stacking energy: -67.682
Base-Backbone interact. energy: -0.056
local terms energy: -74.190440
where:
bonds (distance) C4'-P energy: -14.595
bonds (distance) P-C4' energy: -16.015
flat angles C4'-P-C4' energy: -11.960
flat angles P-C4'-P energy: -12.495
tors. eta vs tors. theta energy: -19.126
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: 443
Temperature: 1.250000
Total energy: -205.166493 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.166493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.166493 (E_RNA)
where:
Base-Base interactions energy: -125.620
where: short stacking energy: -46.246
Base-Backbone interact. energy: -0.692
local terms energy: -78.854445
where:
bonds (distance) C4'-P energy: -17.827
bonds (distance) P-C4' energy: -20.771
flat angles C4'-P-C4' energy: -14.530
flat angles P-C4'-P energy: -11.681
tors. eta vs tors. theta energy: -14.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 443
Temperature: 1.300000
Total energy: -91.115171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.115171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.115171 (E_RNA)
where:
Base-Base interactions energy: -29.929
where: short stacking energy: -23.357
Base-Backbone interact. energy: 1.141
local terms energy: -62.327748
where:
bonds (distance) C4'-P energy: -17.483
bonds (distance) P-C4' energy: -18.908
flat angles C4'-P-C4' energy: -13.814
flat angles P-C4'-P energy: -4.333
tors. eta vs tors. theta energy: -7.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 443
Temperature: 1.350000
Total energy: -85.300617 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.300617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.300617 (E_RNA)
where:
Base-Base interactions energy: -24.177
where: short stacking energy: -19.588
Base-Backbone interact. energy: -0.086
local terms energy: -61.037388
where:
bonds (distance) C4'-P energy: -15.422
bonds (distance) P-C4' energy: -16.599
flat angles C4'-P-C4' energy: -13.030
flat angles P-C4'-P energy: -12.652
tors. eta vs tors. theta energy: -3.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 444
Temperature: 0.900000
Total energy: -291.708773 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.708773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.708773 (E_RNA)
where:
Base-Base interactions energy: -195.776
where: short stacking energy: -88.336
Base-Backbone interact. energy: -0.003
local terms energy: -95.929881
where:
bonds (distance) C4'-P energy: -19.054
bonds (distance) P-C4' energy: -16.275
flat angles C4'-P-C4' energy: -18.074
flat angles P-C4'-P energy: -16.052
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: 2, replica: 10
=====================================
Write number: 444
Temperature: 0.950000
Total energy: -282.608334 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.608334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.608334 (E_RNA)
where:
Base-Base interactions energy: -190.741
where: short stacking energy: -77.688
Base-Backbone interact. energy: -0.278
local terms energy: -91.589541
where:
bonds (distance) C4'-P energy: -15.912
bonds (distance) P-C4' energy: -18.952
flat angles C4'-P-C4' energy: -16.578
flat angles P-C4'-P energy: -16.557
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: 3, replica: 5
=====================================
Write number: 444
Temperature: 1.000000
Total energy: -269.858041 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.858041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.858041 (E_RNA)
where:
Base-Base interactions energy: -176.293
where: short stacking energy: -74.867
Base-Backbone interact. energy: -0.791
local terms energy: -92.774508
where:
bonds (distance) C4'-P energy: -18.432
bonds (distance) P-C4' energy: -17.557
flat angles C4'-P-C4' energy: -17.968
flat angles P-C4'-P energy: -14.833
tors. eta vs tors. theta energy: -23.985
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: 4
=====================================
Write number: 444
Temperature: 1.050000
Total energy: -271.692706 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.692706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.692706 (E_RNA)
where:
Base-Base interactions energy: -189.955
where: short stacking energy: -75.527
Base-Backbone interact. energy: -0.572
local terms energy: -81.165132
where:
bonds (distance) C4'-P energy: -15.767
bonds (distance) P-C4' energy: -18.017
flat angles C4'-P-C4' energy: -15.715
flat angles P-C4'-P energy: -9.853
tors. eta vs tors. theta energy: -21.813
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: 5, replica: 1
=====================================
Write number: 444
Temperature: 1.100000
Total energy: -185.616609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.616609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.616609 (E_RNA)
where:
Base-Base interactions energy: -108.464
where: short stacking energy: -59.429
Base-Backbone interact. energy: -0.061
local terms energy: -77.092126
where:
bonds (distance) C4'-P energy: -15.100
bonds (distance) P-C4' energy: -16.907
flat angles C4'-P-C4' energy: -15.877
flat angles P-C4'-P energy: -12.616
tors. eta vs tors. theta energy: -16.593
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 444
Temperature: 1.150000
Total energy: -260.773984 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.773984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.773984 (E_RNA)
where:
Base-Base interactions energy: -173.934
where: short stacking energy: -73.244
Base-Backbone interact. energy: -0.055
local terms energy: -86.785278
where:
bonds (distance) C4'-P energy: -17.082
bonds (distance) P-C4' energy: -18.282
flat angles C4'-P-C4' energy: -17.156
flat angles P-C4'-P energy: -10.075
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: 7, replica: 6
=====================================
Write number: 444
Temperature: 1.200000
Total energy: -256.513156 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.513156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.513156 (E_RNA)
where:
Base-Base interactions energy: -177.808
where: short stacking energy: -63.092
Base-Backbone interact. energy: -0.040
local terms energy: -78.664794
where:
bonds (distance) C4'-P energy: -16.231
bonds (distance) P-C4' energy: -15.177
flat angles C4'-P-C4' energy: -18.594
flat angles P-C4'-P energy: -8.403
tors. eta vs tors. theta energy: -20.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 444
Temperature: 1.250000
Total energy: -210.334863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.334863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.334863 (E_RNA)
where:
Base-Base interactions energy: -139.009
where: short stacking energy: -49.989
Base-Backbone interact. energy: -0.501
local terms energy: -70.825380
where:
bonds (distance) C4'-P energy: -10.044
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -15.967
flat angles P-C4'-P energy: -11.384
tors. eta vs tors. theta energy: -15.256
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: 9, replica: 2
=====================================
Write number: 444
Temperature: 1.300000
Total energy: -96.620933 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.620933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.620933 (E_RNA)
where:
Base-Base interactions energy: -43.848
where: short stacking energy: -43.848
Base-Backbone interact. energy: 2.103
local terms energy: -54.876401
where:
bonds (distance) C4'-P energy: -15.476
bonds (distance) P-C4' energy: -12.184
flat angles C4'-P-C4' energy: -14.390
flat angles P-C4'-P energy: -5.371
tors. eta vs tors. theta energy: -7.455
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: 9
=====================================
Write number: 444
Temperature: 1.350000
Total energy: -81.666927 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.666927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.666927 (E_RNA)
where:
Base-Base interactions energy: -17.152
where: short stacking energy: -15.435
Base-Backbone interact. energy: -0.155
local terms energy: -64.359607
where:
bonds (distance) C4'-P energy: -14.929
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -13.652
flat angles P-C4'-P energy: -13.666
tors. eta vs tors. theta energy: -4.883
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 445
Temperature: 0.900000
Total energy: -288.422379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.422379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.422379 (E_RNA)
where:
Base-Base interactions energy: -199.506
where: short stacking energy: -77.276
Base-Backbone interact. energy: -2.017
local terms energy: -86.898776
where:
bonds (distance) C4'-P energy: -13.128
bonds (distance) P-C4' energy: -17.639
flat angles C4'-P-C4' energy: -18.674
flat angles P-C4'-P energy: -13.565
tors. eta vs tors. theta energy: -23.892
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 445
Temperature: 0.950000
Total energy: -275.587993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.587993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.587993 (E_RNA)
where:
Base-Base interactions energy: -186.549
where: short stacking energy: -79.481
Base-Backbone interact. energy: -0.234
local terms energy: -88.804547
where:
bonds (distance) C4'-P energy: -15.861
bonds (distance) P-C4' energy: -20.231
flat angles C4'-P-C4' energy: -19.301
flat angles P-C4'-P energy: -9.817
tors. eta vs tors. theta energy: -23.593
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: 10
=====================================
Write number: 445
Temperature: 1.000000
Total energy: -283.304995 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.304995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.304995 (E_RNA)
where:
Base-Base interactions energy: -191.821
where: short stacking energy: -77.929
Base-Backbone interact. energy: -0.038
local terms energy: -91.446134
where:
bonds (distance) C4'-P energy: -21.064
bonds (distance) P-C4' energy: -14.748
flat angles C4'-P-C4' energy: -16.871
flat angles P-C4'-P energy: -14.630
tors. eta vs tors. theta energy: -24.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 445
Temperature: 1.050000
Total energy: -271.645633 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.645633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.645633 (E_RNA)
where:
Base-Base interactions energy: -190.632
where: short stacking energy: -76.579
Base-Backbone interact. energy: -0.083
local terms energy: -80.930709
where:
bonds (distance) C4'-P energy: -14.649
bonds (distance) P-C4' energy: -17.670
flat angles C4'-P-C4' energy: -17.282
flat angles P-C4'-P energy: -9.252
tors. eta vs tors. theta energy: -22.078
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 445
Temperature: 1.100000
Total energy: -223.621518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -223.621518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -223.621518 (E_RNA)
where:
Base-Base interactions energy: -147.318
where: short stacking energy: -55.608
Base-Backbone interact. energy: -0.349
local terms energy: -75.954218
where:
bonds (distance) C4'-P energy: -17.997
bonds (distance) P-C4' energy: -15.766
flat angles C4'-P-C4' energy: -16.990
flat angles P-C4'-P energy: -8.965
tors. eta vs tors. theta energy: -16.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 445
Temperature: 1.150000
Total energy: -260.369876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.369876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.369876 (E_RNA)
where:
Base-Base interactions energy: -169.868
where: short stacking energy: -68.189
Base-Backbone interact. energy: -0.708
local terms energy: -89.793247
where:
bonds (distance) C4'-P energy: -14.652
bonds (distance) P-C4' energy: -20.265
flat angles C4'-P-C4' energy: -19.028
flat angles P-C4'-P energy: -11.238
tors. eta vs tors. theta energy: -24.609
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 445
Temperature: 1.200000
Total energy: -242.530798 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.530798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.530798 (E_RNA)
where:
Base-Base interactions energy: -170.409
where: short stacking energy: -67.291
Base-Backbone interact. energy: -1.060
local terms energy: -71.061699
where:
bonds (distance) C4'-P energy: -9.471
bonds (distance) P-C4' energy: -12.499
flat angles C4'-P-C4' energy: -11.958
flat angles P-C4'-P energy: -12.595
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: 8, replica: 8
=====================================
Write number: 445
Temperature: 1.250000
Total energy: -189.829572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.829572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.829572 (E_RNA)
where:
Base-Base interactions energy: -122.570
where: short stacking energy: -49.030
Base-Backbone interact. energy: -0.942
local terms energy: -66.316923
where:
bonds (distance) C4'-P energy: -19.248
bonds (distance) P-C4' energy: -14.203
flat angles C4'-P-C4' energy: -16.830
flat angles P-C4'-P energy: -10.297
tors. eta vs tors. theta energy: -5.738
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 445
Temperature: 1.300000
Total energy: -98.815124 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.815124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.815124 (E_RNA)
where:
Base-Base interactions energy: -34.796
where: short stacking energy: -34.432
Base-Backbone interact. energy: -0.101
local terms energy: -63.918228
where:
bonds (distance) C4'-P energy: -17.918
bonds (distance) P-C4' energy: -17.072
flat angles C4'-P-C4' energy: -15.882
flat angles P-C4'-P energy: -9.028
tors. eta vs tors. theta energy: -4.018
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: 9
=====================================
Write number: 445
Temperature: 1.350000
Total energy: -83.769840 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.769840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.769840 (E_RNA)
where:
Base-Base interactions energy: -32.214
where: short stacking energy: -25.192
Base-Backbone interact. energy: -0.056
local terms energy: -51.500143
where:
bonds (distance) C4'-P energy: -11.207
bonds (distance) P-C4' energy: -15.267
flat angles C4'-P-C4' energy: -12.327
flat angles P-C4'-P energy: -11.986
tors. eta vs tors. theta energy: -0.713
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 446
Temperature: 0.900000
Total energy: -289.565480 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.565480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.565480 (E_RNA)
where:
Base-Base interactions energy: -202.527
where: short stacking energy: -77.960
Base-Backbone interact. energy: -0.550
local terms energy: -86.488735
where:
bonds (distance) C4'-P energy: -15.083
bonds (distance) P-C4' energy: -17.128
flat angles C4'-P-C4' energy: -16.854
flat angles P-C4'-P energy: -16.278
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: 2, replica: 3
=====================================
Write number: 446
Temperature: 0.950000
Total energy: -282.512733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.512733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.512733 (E_RNA)
where:
Base-Base interactions energy: -197.929
where: short stacking energy: -74.373
Base-Backbone interact. energy: -1.352
local terms energy: -83.231817
where:
bonds (distance) C4'-P energy: -13.413
bonds (distance) P-C4' energy: -12.555
flat angles C4'-P-C4' energy: -19.509
flat angles P-C4'-P energy: -11.668
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: 3, replica: 4
=====================================
Write number: 446
Temperature: 1.000000
Total energy: -287.114162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.114162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.114162 (E_RNA)
where:
Base-Base interactions energy: -196.895
where: short stacking energy: -69.011
Base-Backbone interact. energy: -0.735
local terms energy: -89.484050
where:
bonds (distance) C4'-P energy: -15.360
bonds (distance) P-C4' energy: -16.532
flat angles C4'-P-C4' energy: -21.151
flat angles P-C4'-P energy: -15.455
tors. eta vs tors. theta energy: -20.986
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: 10
=====================================
Write number: 446
Temperature: 1.050000
Total energy: -275.547664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.547664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.547664 (E_RNA)
where:
Base-Base interactions energy: -179.078
where: short stacking energy: -80.234
Base-Backbone interact. energy: -0.003
local terms energy: -96.467400
where:
bonds (distance) C4'-P energy: -18.009
bonds (distance) P-C4' energy: -18.325
flat angles C4'-P-C4' energy: -21.195
flat angles P-C4'-P energy: -15.058
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: 5, replica: 6
=====================================
Write number: 446
Temperature: 1.100000
Total energy: -266.635803 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.635803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.635803 (E_RNA)
where:
Base-Base interactions energy: -177.704
where: short stacking energy: -80.666
Base-Backbone interact. energy: -1.018
local terms energy: -87.913907
where:
bonds (distance) C4'-P energy: -17.874
bonds (distance) P-C4' energy: -11.402
flat angles C4'-P-C4' energy: -18.864
flat angles P-C4'-P energy: -12.424
tors. eta vs tors. theta energy: -27.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 446
Temperature: 1.150000
Total energy: -243.682466 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.682466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.682466 (E_RNA)
where:
Base-Base interactions energy: -162.109
where: short stacking energy: -69.202
Base-Backbone interact. energy: -1.587
local terms energy: -79.986940
where:
bonds (distance) C4'-P energy: -19.178
bonds (distance) P-C4' energy: -18.086
flat angles C4'-P-C4' energy: -17.834
flat angles P-C4'-P energy: -5.928
tors. eta vs tors. theta energy: -18.961
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 7
=====================================
Write number: 446
Temperature: 1.200000
Total energy: -255.654637 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.654637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.654637 (E_RNA)
where:
Base-Base interactions energy: -177.176
where: short stacking energy: -76.505
Base-Backbone interact. energy: -0.330
local terms energy: -78.149016
where:
bonds (distance) C4'-P energy: -13.285
bonds (distance) P-C4' energy: -17.505
flat angles C4'-P-C4' energy: -15.121
flat angles P-C4'-P energy: -9.903
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: 8, replica: 8
=====================================
Write number: 446
Temperature: 1.250000
Total energy: -199.910296 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.910296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.910296 (E_RNA)
where:
Base-Base interactions energy: -128.397
where: short stacking energy: -57.842
Base-Backbone interact. energy: -1.207
local terms energy: -70.305531
where:
bonds (distance) C4'-P energy: -9.755
bonds (distance) P-C4' energy: -18.261
flat angles C4'-P-C4' energy: -15.653
flat angles P-C4'-P energy: -11.766
tors. eta vs tors. theta energy: -14.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 446
Temperature: 1.300000
Total energy: -92.165089 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.165089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.165089 (E_RNA)
where:
Base-Base interactions energy: -31.134
where: short stacking energy: -26.386
Base-Backbone interact. energy: -1.202
local terms energy: -59.829492
where:
bonds (distance) C4'-P energy: -12.429
bonds (distance) P-C4' energy: -19.239
flat angles C4'-P-C4' energy: -18.280
flat angles P-C4'-P energy: -10.146
tors. eta vs tors. theta energy: 0.264
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: 2
=====================================
Write number: 446
Temperature: 1.350000
Total energy: -85.553094 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.553094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.553094 (E_RNA)
where:
Base-Base interactions energy: -32.541
where: short stacking energy: -31.501
Base-Backbone interact. energy: 2.066
local terms energy: -55.078203
where:
bonds (distance) C4'-P energy: -12.889
bonds (distance) P-C4' energy: -14.343
flat angles C4'-P-C4' energy: -9.518
flat angles P-C4'-P energy: -11.821
tors. eta vs tors. theta energy: -6.508
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 447
Temperature: 0.900000
Total energy: -285.476451 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.476451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.476451 (E_RNA)
where:
Base-Base interactions energy: -198.009
where: short stacking energy: -77.889
Base-Backbone interact. energy: -0.894
local terms energy: -86.572910
where:
bonds (distance) C4'-P energy: -17.344
bonds (distance) P-C4' energy: -16.645
flat angles C4'-P-C4' energy: -18.114
flat angles P-C4'-P energy: -13.305
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: 2, replica: 4
=====================================
Write number: 447
Temperature: 0.950000
Total energy: -288.764080 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.764080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.764080 (E_RNA)
where:
Base-Base interactions energy: -205.075
where: short stacking energy: -77.599
Base-Backbone interact. energy: -0.039
local terms energy: -83.649764
where:
bonds (distance) C4'-P energy: -14.238
bonds (distance) P-C4' energy: -18.033
flat angles C4'-P-C4' energy: -15.870
flat angles P-C4'-P energy: -15.770
tors. eta vs tors. theta energy: -19.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 447
Temperature: 1.000000
Total energy: -277.866683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.866683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.866683 (E_RNA)
where:
Base-Base interactions energy: -192.570
where: short stacking energy: -80.065
Base-Backbone interact. energy: -0.294
local terms energy: -85.002750
where:
bonds (distance) C4'-P energy: -11.559
bonds (distance) P-C4' energy: -21.336
flat angles C4'-P-C4' energy: -18.908
flat angles P-C4'-P energy: -8.230
tors. eta vs tors. theta energy: -24.970
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: 6
=====================================
Write number: 447
Temperature: 1.050000
Total energy: -274.967827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.967827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.967827 (E_RNA)
where:
Base-Base interactions energy: -186.960
where: short stacking energy: -77.465
Base-Backbone interact. energy: -0.162
local terms energy: -87.846670
where:
bonds (distance) C4'-P energy: -13.793
bonds (distance) P-C4' energy: -21.557
flat angles C4'-P-C4' energy: -18.914
flat angles P-C4'-P energy: -8.375
tors. eta vs tors. theta energy: -25.207
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 447
Temperature: 1.100000
Total energy: -277.307004 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.307004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.307004 (E_RNA)
where:
Base-Base interactions energy: -176.806
where: short stacking energy: -71.775
Base-Backbone interact. energy: -0.633
local terms energy: -99.868256
where:
bonds (distance) C4'-P energy: -19.889
bonds (distance) P-C4' energy: -20.115
flat angles C4'-P-C4' energy: -17.538
flat angles P-C4'-P energy: -13.922
tors. eta vs tors. theta energy: -28.403
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 7
=====================================
Write number: 447
Temperature: 1.150000
Total energy: -243.452174 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.452174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.452174 (E_RNA)
where:
Base-Base interactions energy: -173.064
where: short stacking energy: -68.572
Base-Backbone interact. energy: -0.438
local terms energy: -69.950154
where:
bonds (distance) C4'-P energy: -11.994
bonds (distance) P-C4' energy: -18.363
flat angles C4'-P-C4' energy: -11.008
flat angles P-C4'-P energy: -7.859
tors. eta vs tors. theta energy: -20.725
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 447
Temperature: 1.200000
Total energy: -210.817799 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.817799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.817799 (E_RNA)
where:
Base-Base interactions energy: -141.055
where: short stacking energy: -64.412
Base-Backbone interact. energy: -0.193
local terms energy: -69.570384
where:
bonds (distance) C4'-P energy: -10.157
bonds (distance) P-C4' energy: -13.691
flat angles C4'-P-C4' energy: -17.507
flat angles P-C4'-P energy: -9.049
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: 8, replica: 8
=====================================
Write number: 447
Temperature: 1.250000
Total energy: -186.141467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.141467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.141467 (E_RNA)
where:
Base-Base interactions energy: -127.487
where: short stacking energy: -47.626
Base-Backbone interact. energy: -0.940
local terms energy: -57.714469
where:
bonds (distance) C4'-P energy: -15.306
bonds (distance) P-C4' energy: -14.347
flat angles C4'-P-C4' energy: -5.943
flat angles P-C4'-P energy: -15.170
tors. eta vs tors. theta energy: -6.949
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: 9, replica: 9
=====================================
Write number: 447
Temperature: 1.300000
Total energy: -99.483452 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.483452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.483452 (E_RNA)
where:
Base-Base interactions energy: -35.561
where: short stacking energy: -35.561
Base-Backbone interact. energy: 0.134
local terms energy: -64.056433
where:
bonds (distance) C4'-P energy: -14.872
bonds (distance) P-C4' energy: -12.803
flat angles C4'-P-C4' energy: -15.506
flat angles P-C4'-P energy: -11.476
tors. eta vs tors. theta energy: -9.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 447
Temperature: 1.350000
Total energy: -83.537947 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.537947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.537947 (E_RNA)
where:
Base-Base interactions energy: -33.314
where: short stacking energy: -21.019
Base-Backbone interact. energy: -0.137
local terms energy: -50.086892
where:
bonds (distance) C4'-P energy: -9.281
bonds (distance) P-C4' energy: -19.436
flat angles C4'-P-C4' energy: -14.034
flat angles P-C4'-P energy: -8.502
tors. eta vs tors. theta energy: 1.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 448
Temperature: 0.900000
Total energy: -293.540347 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.540347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.540347 (E_RNA)
where:
Base-Base interactions energy: -202.004
where: short stacking energy: -77.938
Base-Backbone interact. energy: -0.218
local terms energy: -91.318317
where:
bonds (distance) C4'-P energy: -19.582
bonds (distance) P-C4' energy: -21.076
flat angles C4'-P-C4' energy: -16.954
flat angles P-C4'-P energy: -12.278
tors. eta vs tors. theta energy: -21.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 448
Temperature: 0.950000
Total energy: -285.525628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.525628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.525628 (E_RNA)
where:
Base-Base interactions energy: -201.882
where: short stacking energy: -82.597
Base-Backbone interact. energy: -0.236
local terms energy: -83.407270
where:
bonds (distance) C4'-P energy: -15.467
bonds (distance) P-C4' energy: -15.964
flat angles C4'-P-C4' energy: -20.546
flat angles P-C4'-P energy: -10.767
tors. eta vs tors. theta energy: -20.663
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 448
Temperature: 1.000000
Total energy: -279.941563 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.941563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.941563 (E_RNA)
where:
Base-Base interactions energy: -194.156
where: short stacking energy: -75.303
Base-Backbone interact. energy: 0.578
local terms energy: -86.363599
where:
bonds (distance) C4'-P energy: -18.672
bonds (distance) P-C4' energy: -15.477
flat angles C4'-P-C4' energy: -14.069
flat angles P-C4'-P energy: -15.433
tors. eta vs tors. theta energy: -22.711
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 448
Temperature: 1.050000
Total energy: -262.396841 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.396841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.396841 (E_RNA)
where:
Base-Base interactions energy: -172.888
where: short stacking energy: -78.313
Base-Backbone interact. energy: -0.837
local terms energy: -88.672157
where:
bonds (distance) C4'-P energy: -18.682
bonds (distance) P-C4' energy: -18.551
flat angles C4'-P-C4' energy: -18.635
flat angles P-C4'-P energy: -10.479
tors. eta vs tors. theta energy: -22.325
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 7
=====================================
Write number: 448
Temperature: 1.100000
Total energy: -262.594085 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.594085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.594085 (E_RNA)
where:
Base-Base interactions energy: -174.212
where: short stacking energy: -73.438
Base-Backbone interact. energy: -0.530
local terms energy: -87.851761
where:
bonds (distance) C4'-P energy: -20.063
bonds (distance) P-C4' energy: -12.282
flat angles C4'-P-C4' energy: -16.126
flat angles P-C4'-P energy: -15.149
tors. eta vs tors. theta energy: -24.233
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: 10
=====================================
Write number: 448
Temperature: 1.150000
Total energy: -267.836295 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.836295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.836295 (E_RNA)
where:
Base-Base interactions energy: -188.970
where: short stacking energy: -73.158
Base-Backbone interact. energy: -0.064
local terms energy: -78.802332
where:
bonds (distance) C4'-P energy: -18.886
bonds (distance) P-C4' energy: -11.676
flat angles C4'-P-C4' energy: -19.567
flat angles P-C4'-P energy: -6.613
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: 7, replica: 1
=====================================
Write number: 448
Temperature: 1.200000
Total energy: -188.323130 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -188.323130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -188.323130 (E_RNA)
where:
Base-Base interactions energy: -116.897
where: short stacking energy: -52.601
Base-Backbone interact. energy: -0.016
local terms energy: -71.410154
where:
bonds (distance) C4'-P energy: -19.355
bonds (distance) P-C4' energy: -15.432
flat angles C4'-P-C4' energy: -18.437
flat angles P-C4'-P energy: -6.351
tors. eta vs tors. theta energy: -11.835
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 448
Temperature: 1.250000
Total energy: -210.990987 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.990987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.990987 (E_RNA)
where:
Base-Base interactions energy: -133.893
where: short stacking energy: -51.017
Base-Backbone interact. energy: -1.885
local terms energy: -75.212681
where:
bonds (distance) C4'-P energy: -17.560
bonds (distance) P-C4' energy: -16.587
flat angles C4'-P-C4' energy: -15.893
flat angles P-C4'-P energy: -8.336
tors. eta vs tors. theta energy: -16.836
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 448
Temperature: 1.300000
Total energy: -92.814415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.814415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.814415 (E_RNA)
where:
Base-Base interactions energy: -26.896
where: short stacking energy: -26.896
Base-Backbone interact. energy: -0.303
local terms energy: -65.616325
where:
bonds (distance) C4'-P energy: -19.361
bonds (distance) P-C4' energy: -14.896
flat angles C4'-P-C4' energy: -15.540
flat angles P-C4'-P energy: -11.603
tors. eta vs tors. theta energy: -4.216
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 448
Temperature: 1.350000
Total energy: -84.127511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.127511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.127511 (E_RNA)
where:
Base-Base interactions energy: -17.547
where: short stacking energy: -17.547
Base-Backbone interact. energy: -0.126
local terms energy: -66.454846
where:
bonds (distance) C4'-P energy: -17.771
bonds (distance) P-C4' energy: -21.284
flat angles C4'-P-C4' energy: -16.828
flat angles P-C4'-P energy: -11.768
tors. eta vs tors. theta energy: 1.197
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 449
Temperature: 0.900000
Total energy: -295.503999 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -295.503999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -295.503999 (E_RNA)
where:
Base-Base interactions energy: -202.329
where: short stacking energy: -75.907
Base-Backbone interact. energy: -0.100
local terms energy: -93.074927
where:
bonds (distance) C4'-P energy: -19.669
bonds (distance) P-C4' energy: -17.834
flat angles C4'-P-C4' energy: -19.598
flat angles P-C4'-P energy: -15.038
tors. eta vs tors. theta energy: -20.936
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 449
Temperature: 0.950000
Total energy: -293.797414 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.797414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.797414 (E_RNA)
where:
Base-Base interactions energy: -191.603
where: short stacking energy: -82.759
Base-Backbone interact. energy: -0.092
local terms energy: -102.101794
where:
bonds (distance) C4'-P energy: -18.699
bonds (distance) P-C4' energy: -17.872
flat angles C4'-P-C4' energy: -22.071
flat angles P-C4'-P energy: -15.146
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: 3, replica: 3
=====================================
Write number: 449
Temperature: 1.000000
Total energy: -280.049419 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.049419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.049419 (E_RNA)
where:
Base-Base interactions energy: -183.497
where: short stacking energy: -77.874
Base-Backbone interact. energy: -1.649
local terms energy: -94.903652
where:
bonds (distance) C4'-P energy: -18.288
bonds (distance) P-C4' energy: -17.558
flat angles C4'-P-C4' energy: -19.117
flat angles P-C4'-P energy: -13.927
tors. eta vs tors. theta energy: -26.014
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 449
Temperature: 1.050000
Total energy: -275.618165 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.618165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.618165 (E_RNA)
where:
Base-Base interactions energy: -190.644
where: short stacking energy: -75.236
Base-Backbone interact. energy: -1.179
local terms energy: -83.795352
where:
bonds (distance) C4'-P energy: -17.877
bonds (distance) P-C4' energy: -15.759
flat angles C4'-P-C4' energy: -17.363
flat angles P-C4'-P energy: -11.984
tors. eta vs tors. theta energy: -20.812
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 449
Temperature: 1.100000
Total energy: -277.438525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.438525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.438525 (E_RNA)
where:
Base-Base interactions energy: -191.288
where: short stacking energy: -82.083
Base-Backbone interact. energy: -0.623
local terms energy: -85.528277
where:
bonds (distance) C4'-P energy: -14.384
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -19.172
flat angles P-C4'-P energy: -11.468
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: 6, replica: 10
=====================================
Write number: 449
Temperature: 1.150000
Total energy: -251.959118 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.959118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.959118 (E_RNA)
where:
Base-Base interactions energy: -172.624
where: short stacking energy: -79.229
Base-Backbone interact. energy: -0.676
local terms energy: -78.659158
where:
bonds (distance) C4'-P energy: -12.322
bonds (distance) P-C4' energy: -14.180
flat angles C4'-P-C4' energy: -18.291
flat angles P-C4'-P energy: -12.355
tors. eta vs tors. theta energy: -21.511
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 449
Temperature: 1.200000
Total energy: -186.492222 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.492222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.492222 (E_RNA)
where:
Base-Base interactions energy: -115.264
where: short stacking energy: -55.150
Base-Backbone interact. energy: -0.084
local terms energy: -71.144199
where:
bonds (distance) C4'-P energy: -14.611
bonds (distance) P-C4' energy: -15.806
flat angles C4'-P-C4' energy: -17.559
flat angles P-C4'-P energy: -9.341
tors. eta vs tors. theta energy: -13.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 449
Temperature: 1.250000
Total energy: -207.035070 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -207.035070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -207.035070 (E_RNA)
where:
Base-Base interactions energy: -134.975
where: short stacking energy: -64.527
Base-Backbone interact. energy: 0.158
local terms energy: -72.218155
where:
bonds (distance) C4'-P energy: -5.948
bonds (distance) P-C4' energy: -16.803
flat angles C4'-P-C4' energy: -19.918
flat angles P-C4'-P energy: -13.568
tors. eta vs tors. theta energy: -15.982
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: 2
=====================================
Write number: 449
Temperature: 1.300000
Total energy: -93.038797 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.038797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.038797 (E_RNA)
where:
Base-Base interactions energy: -40.828
where: short stacking energy: -33.065
Base-Backbone interact. energy: -0.551
local terms energy: -51.659836
where:
bonds (distance) C4'-P energy: -11.117
bonds (distance) P-C4' energy: -18.862
flat angles C4'-P-C4' energy: -17.404
flat angles P-C4'-P energy: -6.124
tors. eta vs tors. theta energy: 1.846
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 449
Temperature: 1.350000
Total energy: -82.628199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.628199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.628199 (E_RNA)
where:
Base-Base interactions energy: -30.821
where: short stacking energy: -20.482
Base-Backbone interact. energy: -0.179
local terms energy: -51.628829
where:
bonds (distance) C4'-P energy: -10.868
bonds (distance) P-C4' energy: -19.703
flat angles C4'-P-C4' energy: -14.018
flat angles P-C4'-P energy: -9.980
tors. eta vs tors. theta energy: 2.941
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 450
Temperature: 0.900000
Total energy: -290.185575 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.185575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.185575 (E_RNA)
where:
Base-Base interactions energy: -192.266
where: short stacking energy: -88.302
Base-Backbone interact. energy: -0.464
local terms energy: -97.456140
where:
bonds (distance) C4'-P energy: -16.651
bonds (distance) P-C4' energy: -19.967
flat angles C4'-P-C4' energy: -20.458
flat angles P-C4'-P energy: -12.250
tors. eta vs tors. theta energy: -28.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 450
Temperature: 0.950000
Total energy: -291.950058 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.950058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.950058 (E_RNA)
where:
Base-Base interactions energy: -205.749
where: short stacking energy: -76.426
Base-Backbone interact. energy: -0.027
local terms energy: -86.174631
where:
bonds (distance) C4'-P energy: -16.801
bonds (distance) P-C4' energy: -16.014
flat angles C4'-P-C4' energy: -19.248
flat angles P-C4'-P energy: -12.400
tors. eta vs tors. theta energy: -21.711
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: 7
=====================================
Write number: 450
Temperature: 1.000000
Total energy: -294.130399 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.130399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.130399 (E_RNA)
where:
Base-Base interactions energy: -204.049
where: short stacking energy: -84.208
Base-Backbone interact. energy: -0.410
local terms energy: -89.671221
where:
bonds (distance) C4'-P energy: -15.887
bonds (distance) P-C4' energy: -12.456
flat angles C4'-P-C4' energy: -18.798
flat angles P-C4'-P energy: -15.753
tors. eta vs tors. theta energy: -26.776
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 450
Temperature: 1.050000
Total energy: -272.769901 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.769901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.769901 (E_RNA)
where:
Base-Base interactions energy: -185.554
where: short stacking energy: -73.977
Base-Backbone interact. energy: -0.171
local terms energy: -87.045089
where:
bonds (distance) C4'-P energy: -19.157
bonds (distance) P-C4' energy: -19.738
flat angles C4'-P-C4' energy: -15.739
flat angles P-C4'-P energy: -13.350
tors. eta vs tors. theta energy: -19.062
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 450
Temperature: 1.100000
Total energy: -266.954151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.954151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.954151 (E_RNA)
where:
Base-Base interactions energy: -177.700
where: short stacking energy: -74.909
Base-Backbone interact. energy: -0.020
local terms energy: -89.234107
where:
bonds (distance) C4'-P energy: -14.483
bonds (distance) P-C4' energy: -18.363
flat angles C4'-P-C4' energy: -15.427
flat angles P-C4'-P energy: -16.565
tors. eta vs tors. theta energy: -24.396
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 450
Temperature: 1.150000
Total energy: -262.050853 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.050853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.050853 (E_RNA)
where:
Base-Base interactions energy: -181.423
where: short stacking energy: -72.362
Base-Backbone interact. energy: -0.253
local terms energy: -80.375343
where:
bonds (distance) C4'-P energy: -14.599
bonds (distance) P-C4' energy: -16.226
flat angles C4'-P-C4' energy: -18.820
flat angles P-C4'-P energy: -10.283
tors. eta vs tors. theta energy: -20.447
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 450
Temperature: 1.200000
Total energy: -181.347420 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.347420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.347420 (E_RNA)
where:
Base-Base interactions energy: -110.717
where: short stacking energy: -47.073
Base-Backbone interact. energy: -0.135
local terms energy: -70.495453
where:
bonds (distance) C4'-P energy: -16.800
bonds (distance) P-C4' energy: -14.683
flat angles C4'-P-C4' energy: -13.246
flat angles P-C4'-P energy: -13.216
tors. eta vs tors. theta energy: -12.550
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 450
Temperature: 1.250000
Total energy: -175.278266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.278266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.278266 (E_RNA)
where:
Base-Base interactions energy: -109.999
where: short stacking energy: -59.092
Base-Backbone interact. energy: -0.364
local terms energy: -64.915247
where:
bonds (distance) C4'-P energy: -9.912
bonds (distance) P-C4' energy: -14.791
flat angles C4'-P-C4' energy: -14.276
flat angles P-C4'-P energy: -9.697
tors. eta vs tors. theta energy: -16.240
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 450
Temperature: 1.300000
Total energy: -84.526277 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.526277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.526277 (E_RNA)
where:
Base-Base interactions energy: -27.735
where: short stacking energy: -21.478
Base-Backbone interact. energy: 0.189
local terms energy: -56.980600
where:
bonds (distance) C4'-P energy: -15.746
bonds (distance) P-C4' energy: -18.175
flat angles C4'-P-C4' energy: -15.081
flat angles P-C4'-P energy: -8.351
tors. eta vs tors. theta energy: 0.372
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 450
Temperature: 1.350000
Total energy: -85.628396 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.628396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.628396 (E_RNA)
where:
Base-Base interactions energy: -32.121
where: short stacking energy: -21.734
Base-Backbone interact. energy: -0.312
local terms energy: -53.195091
where:
bonds (distance) C4'-P energy: -17.748
bonds (distance) P-C4' energy: -15.815
flat angles C4'-P-C4' energy: -15.420
flat angles P-C4'-P energy: -8.163
tors. eta vs tors. theta energy: 3.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 451
Temperature: 0.900000
Total energy: -287.896026 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.896026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.896026 (E_RNA)
where:
Base-Base interactions energy: -194.839
where: short stacking energy: -81.822
Base-Backbone interact. energy: -1.671
local terms energy: -91.386102
where:
bonds (distance) C4'-P energy: -17.388
bonds (distance) P-C4' energy: -19.868
flat angles C4'-P-C4' energy: -17.341
flat angles P-C4'-P energy: -11.700
tors. eta vs tors. theta energy: -25.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 451
Temperature: 0.950000
Total energy: -281.862178 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.862178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.862178 (E_RNA)
where:
Base-Base interactions energy: -194.375
where: short stacking energy: -80.505
Base-Backbone interact. energy: -0.112
local terms energy: -87.374867
where:
bonds (distance) C4'-P energy: -15.286
bonds (distance) P-C4' energy: -17.677
flat angles C4'-P-C4' energy: -17.237
flat angles P-C4'-P energy: -14.899
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: 3, replica: 7
=====================================
Write number: 451
Temperature: 1.000000
Total energy: -280.319229 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.319229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.319229 (E_RNA)
where:
Base-Base interactions energy: -188.596
where: short stacking energy: -79.753
Base-Backbone interact. energy: -0.025
local terms energy: -91.698803
where:
bonds (distance) C4'-P energy: -16.487
bonds (distance) P-C4' energy: -15.543
flat angles C4'-P-C4' energy: -20.681
flat angles P-C4'-P energy: -12.433
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: 4, replica: 6
=====================================
Write number: 451
Temperature: 1.050000
Total energy: -281.375025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.375025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.375025 (E_RNA)
where:
Base-Base interactions energy: -193.076
where: short stacking energy: -72.539
Base-Backbone interact. energy: -0.477
local terms energy: -87.821342
where:
bonds (distance) C4'-P energy: -16.818
bonds (distance) P-C4' energy: -20.228
flat angles C4'-P-C4' energy: -13.310
flat angles P-C4'-P energy: -12.706
tors. eta vs tors. theta energy: -24.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 451
Temperature: 1.100000
Total energy: -273.469458 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.469458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.469458 (E_RNA)
where:
Base-Base interactions energy: -187.338
where: short stacking energy: -65.322
Base-Backbone interact. energy: -1.013
local terms energy: -85.118001
where:
bonds (distance) C4'-P energy: -15.600
bonds (distance) P-C4' energy: -14.902
flat angles C4'-P-C4' energy: -19.315
flat angles P-C4'-P energy: -14.735
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: 10
=====================================
Write number: 451
Temperature: 1.150000
Total energy: -266.352192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.352192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.352192 (E_RNA)
where:
Base-Base interactions energy: -183.574
where: short stacking energy: -80.608
Base-Backbone interact. energy: -0.217
local terms energy: -82.560824
where:
bonds (distance) C4'-P energy: -14.278
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -16.932
flat angles P-C4'-P energy: -10.663
tors. eta vs tors. theta energy: -23.505
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: 8
=====================================
Write number: 451
Temperature: 1.200000
Total energy: -184.325498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -184.325498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -184.325498 (E_RNA)
where:
Base-Base interactions energy: -114.677
where: short stacking energy: -64.547
Base-Backbone interact. energy: -0.142
local terms energy: -69.506301
where:
bonds (distance) C4'-P energy: -11.261
bonds (distance) P-C4' energy: -16.734
flat angles C4'-P-C4' energy: -18.425
flat angles P-C4'-P energy: -11.127
tors. eta vs tors. theta energy: -11.958
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: 1
=====================================
Write number: 451
Temperature: 1.250000
Total energy: -226.907121 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -226.907121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -226.907121 (E_RNA)
where:
Base-Base interactions energy: -151.142
where: short stacking energy: -58.121
Base-Backbone interact. energy: -1.153
local terms energy: -74.611783
where:
bonds (distance) C4'-P energy: -16.086
bonds (distance) P-C4' energy: -13.278
flat angles C4'-P-C4' energy: -15.757
flat angles P-C4'-P energy: -11.620
tors. eta vs tors. theta energy: -17.870
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 451
Temperature: 1.300000
Total energy: -100.336149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.336149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.336149 (E_RNA)
where:
Base-Base interactions energy: -44.735
where: short stacking energy: -42.195
Base-Backbone interact. energy: -0.135
local terms energy: -55.465470
where:
bonds (distance) C4'-P energy: -6.937
bonds (distance) P-C4' energy: -15.135
flat angles C4'-P-C4' energy: -18.515
flat angles P-C4'-P energy: -10.130
tors. eta vs tors. theta energy: -4.749
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 451
Temperature: 1.350000
Total energy: -100.523705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.523705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.523705 (E_RNA)
where:
Base-Base interactions energy: -45.465
where: short stacking energy: -29.487
Base-Backbone interact. energy: -0.194
local terms energy: -54.864362
where:
bonds (distance) C4'-P energy: -11.465
bonds (distance) P-C4' energy: -14.453
flat angles C4'-P-C4' energy: -13.067
flat angles P-C4'-P energy: -9.907
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: 5
=====================================
Write number: 452
Temperature: 0.900000
Total energy: -288.973827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.973827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.973827 (E_RNA)
where:
Base-Base interactions energy: -194.540
where: short stacking energy: -79.522
Base-Backbone interact. energy: -0.008
local terms energy: -94.425641
where:
bonds (distance) C4'-P energy: -19.616
bonds (distance) P-C4' energy: -17.050
flat angles C4'-P-C4' energy: -20.745
flat angles P-C4'-P energy: -13.358
tors. eta vs tors. theta energy: -23.656
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: 4
=====================================
Write number: 452
Temperature: 0.950000
Total energy: -293.742671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.742671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.742671 (E_RNA)
where:
Base-Base interactions energy: -208.375
where: short stacking energy: -77.311
Base-Backbone interact. energy: -0.178
local terms energy: -85.189907
where:
bonds (distance) C4'-P energy: -18.068
bonds (distance) P-C4' energy: -15.310
flat angles C4'-P-C4' energy: -19.647
flat angles P-C4'-P energy: -10.219
tors. eta vs tors. theta energy: -21.945
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 452
Temperature: 1.000000
Total energy: -284.866511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.866511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.866511 (E_RNA)
where:
Base-Base interactions energy: -191.152
where: short stacking energy: -77.663
Base-Backbone interact. energy: -1.100
local terms energy: -92.614815
where:
bonds (distance) C4'-P energy: -17.504
bonds (distance) P-C4' energy: -18.527
flat angles C4'-P-C4' energy: -20.473
flat angles P-C4'-P energy: -9.285
tors. eta vs tors. theta energy: -26.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 452
Temperature: 1.050000
Total energy: -273.596213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.596213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.596213 (E_RNA)
where:
Base-Base interactions energy: -184.426
where: short stacking energy: -79.471
Base-Backbone interact. energy: -0.590
local terms energy: -88.580283
where:
bonds (distance) C4'-P energy: -13.969
bonds (distance) P-C4' energy: -17.353
flat angles C4'-P-C4' energy: -22.008
flat angles P-C4'-P energy: -13.150
tors. eta vs tors. theta energy: -22.100
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 452
Temperature: 1.100000
Total energy: -265.488463 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.488463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.488463 (E_RNA)
where:
Base-Base interactions energy: -182.981
where: short stacking energy: -68.043
Base-Backbone interact. energy: -1.451
local terms energy: -81.055686
where:
bonds (distance) C4'-P energy: -16.491
bonds (distance) P-C4' energy: -15.422
flat angles C4'-P-C4' energy: -16.360
flat angles P-C4'-P energy: -9.292
tors. eta vs tors. theta energy: -23.491
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: 452
Temperature: 1.150000
Total energy: -259.966448 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.966448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.966448 (E_RNA)
where:
Base-Base interactions energy: -170.149
where: short stacking energy: -78.656
Base-Backbone interact. energy: -0.001
local terms energy: -89.816255
where:
bonds (distance) C4'-P energy: -18.009
bonds (distance) P-C4' energy: -17.230
flat angles C4'-P-C4' energy: -18.340
flat angles P-C4'-P energy: -15.339
tors. eta vs tors. theta energy: -20.897
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 452
Temperature: 1.200000
Total energy: -232.922667 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -232.922667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -232.922667 (E_RNA)
where:
Base-Base interactions energy: -157.341
where: short stacking energy: -64.702
Base-Backbone interact. energy: -0.069
local terms energy: -75.512246
where:
bonds (distance) C4'-P energy: -11.254
bonds (distance) P-C4' energy: -13.329
flat angles C4'-P-C4' energy: -21.684
flat angles P-C4'-P energy: -9.388
tors. eta vs tors. theta energy: -19.857
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 452
Temperature: 1.250000
Total energy: -196.245816 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.245816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.245816 (E_RNA)
where:
Base-Base interactions energy: -122.045
where: short stacking energy: -59.331
Base-Backbone interact. energy: 0.341
local terms energy: -74.542257
where:
bonds (distance) C4'-P energy: -12.283
bonds (distance) P-C4' energy: -20.631
flat angles C4'-P-C4' energy: -17.906
flat angles P-C4'-P energy: -8.707
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: 9, replica: 2
=====================================
Write number: 452
Temperature: 1.300000
Total energy: -100.222021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.222021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.222021 (E_RNA)
where:
Base-Base interactions energy: -37.512
where: short stacking energy: -33.647
Base-Backbone interact. energy: 0.452
local terms energy: -63.162359
where:
bonds (distance) C4'-P energy: -21.284
bonds (distance) P-C4' energy: -9.092
flat angles C4'-P-C4' energy: -16.890
flat angles P-C4'-P energy: -10.930
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: 10, replica: 9
=====================================
Write number: 452
Temperature: 1.350000
Total energy: -77.794393 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -77.794393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -77.794393 (E_RNA)
where:
Base-Base interactions energy: -26.451
where: short stacking energy: -19.938
Base-Backbone interact. energy: 0.392
local terms energy: -51.735243
where:
bonds (distance) C4'-P energy: -16.275
bonds (distance) P-C4' energy: -18.319
flat angles C4'-P-C4' energy: -8.101
flat angles P-C4'-P energy: -11.353
tors. eta vs tors. theta energy: 2.312
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 453
Temperature: 0.900000
Total energy: -285.450063 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.450063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.450063 (E_RNA)
where:
Base-Base interactions energy: -186.339
where: short stacking energy: -67.389
Base-Backbone interact. energy: 0.205
local terms energy: -99.316137
where:
bonds (distance) C4'-P energy: -20.360
bonds (distance) P-C4' energy: -19.999
flat angles C4'-P-C4' energy: -19.306
flat angles P-C4'-P energy: -13.887
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: 2, replica: 4
=====================================
Write number: 453
Temperature: 0.950000
Total energy: -281.901555 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.901555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.901555 (E_RNA)
where:
Base-Base interactions energy: -190.758
where: short stacking energy: -76.258
Base-Backbone interact. energy: -0.095
local terms energy: -91.048029
where:
bonds (distance) C4'-P energy: -16.289
bonds (distance) P-C4' energy: -21.262
flat angles C4'-P-C4' energy: -14.162
flat angles P-C4'-P energy: -14.807
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: 3, replica: 7
=====================================
Write number: 453
Temperature: 1.000000
Total energy: -276.380839 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.380839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.380839 (E_RNA)
where:
Base-Base interactions energy: -184.884
where: short stacking energy: -76.324
Base-Backbone interact. energy: -0.102
local terms energy: -91.395112
where:
bonds (distance) C4'-P energy: -17.319
bonds (distance) P-C4' energy: -18.214
flat angles C4'-P-C4' energy: -19.528
flat angles P-C4'-P energy: -11.344
tors. eta vs tors. theta energy: -24.990
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: 453
Temperature: 1.050000
Total energy: -268.727270 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.727270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.727270 (E_RNA)
where:
Base-Base interactions energy: -184.763
where: short stacking energy: -69.891
Base-Backbone interact. energy: -0.611
local terms energy: -83.352307
where:
bonds (distance) C4'-P energy: -14.784
bonds (distance) P-C4' energy: -17.047
flat angles C4'-P-C4' energy: -19.659
flat angles P-C4'-P energy: -8.905
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: 6
=====================================
Write number: 453
Temperature: 1.100000
Total energy: -270.169761 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.169761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.169761 (E_RNA)
where:
Base-Base interactions energy: -178.849
where: short stacking energy: -69.889
Base-Backbone interact. energy: -0.128
local terms energy: -91.192231
where:
bonds (distance) C4'-P energy: -18.537
bonds (distance) P-C4' energy: -21.042
flat angles C4'-P-C4' energy: -18.142
flat angles P-C4'-P energy: -13.935
tors. eta vs tors. theta energy: -19.536
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 453
Temperature: 1.150000
Total energy: -263.801301 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.801301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.801301 (E_RNA)
where:
Base-Base interactions energy: -182.793
where: short stacking energy: -81.672
Base-Backbone interact. energy: -0.010
local terms energy: -80.998550
where:
bonds (distance) C4'-P energy: -15.753
bonds (distance) P-C4' energy: -10.682
flat angles C4'-P-C4' energy: -18.378
flat angles P-C4'-P energy: -8.849
tors. eta vs tors. theta energy: -27.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 453
Temperature: 1.200000
Total energy: -174.970247 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -174.970247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -174.970247 (E_RNA)
where:
Base-Base interactions energy: -100.924
where: short stacking energy: -52.793
Base-Backbone interact. energy: -0.778
local terms energy: -73.268618
where:
bonds (distance) C4'-P energy: -16.317
bonds (distance) P-C4' energy: -14.392
flat angles C4'-P-C4' energy: -19.062
flat angles P-C4'-P energy: -12.178
tors. eta vs tors. theta energy: -11.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 453
Temperature: 1.250000
Total energy: -191.130253 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.130253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.130253 (E_RNA)
where:
Base-Base interactions energy: -111.223
where: short stacking energy: -41.036
Base-Backbone interact. energy: -0.198
local terms energy: -79.709527
where:
bonds (distance) C4'-P energy: -13.903
bonds (distance) P-C4' energy: -18.939
flat angles C4'-P-C4' energy: -16.786
flat angles P-C4'-P energy: -12.518
tors. eta vs tors. theta energy: -17.564
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 453
Temperature: 1.300000
Total energy: -90.511455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.511455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.511455 (E_RNA)
where:
Base-Base interactions energy: -24.406
where: short stacking energy: -20.045
Base-Backbone interact. energy: -0.311
local terms energy: -65.794712
where:
bonds (distance) C4'-P energy: -19.513
bonds (distance) P-C4' energy: -17.649
flat angles C4'-P-C4' energy: -15.797
flat angles P-C4'-P energy: -12.972
tors. eta vs tors. theta energy: 0.137
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 453
Temperature: 1.350000
Total energy: -78.817266 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.817266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.817266 (E_RNA)
where:
Base-Base interactions energy: -27.895
where: short stacking energy: -26.937
Base-Backbone interact. energy: -0.265
local terms energy: -50.657187
where:
bonds (distance) C4'-P energy: -9.180
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -14.481
flat angles P-C4'-P energy: -9.788
tors. eta vs tors. theta energy: -0.686
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 454
Temperature: 0.900000
Total energy: -285.224990 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.224990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.224990 (E_RNA)
where:
Base-Base interactions energy: -192.988
where: short stacking energy: -75.747
Base-Backbone interact. energy: -1.130
local terms energy: -91.106916
where:
bonds (distance) C4'-P energy: -17.973
bonds (distance) P-C4' energy: -19.246
flat angles C4'-P-C4' energy: -19.390
flat angles P-C4'-P energy: -9.804
tors. eta vs tors. theta energy: -24.693
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 454
Temperature: 0.950000
Total energy: -280.675892 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.675892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.675892 (E_RNA)
where:
Base-Base interactions energy: -201.249
where: short stacking energy: -80.021
Base-Backbone interact. energy: -0.296
local terms energy: -79.130585
where:
bonds (distance) C4'-P energy: -13.902
bonds (distance) P-C4' energy: -18.407
flat angles C4'-P-C4' energy: -17.136
flat angles P-C4'-P energy: -9.435
tors. eta vs tors. theta energy: -20.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 454
Temperature: 1.000000
Total energy: -275.793363 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.793363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.793363 (E_RNA)
where:
Base-Base interactions energy: -187.148
where: short stacking energy: -83.613
Base-Backbone interact. energy: -0.725
local terms energy: -87.920874
where:
bonds (distance) C4'-P energy: -17.563
bonds (distance) P-C4' energy: -15.617
flat angles C4'-P-C4' energy: -17.806
flat angles P-C4'-P energy: -12.672
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: 4, replica: 7
=====================================
Write number: 454
Temperature: 1.050000
Total energy: -271.513369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.513369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.513369 (E_RNA)
where:
Base-Base interactions energy: -186.503
where: short stacking energy: -76.085
Base-Backbone interact. energy: -0.643
local terms energy: -84.367251
where:
bonds (distance) C4'-P energy: -13.393
bonds (distance) P-C4' energy: -14.228
flat angles C4'-P-C4' energy: -19.627
flat angles P-C4'-P energy: -14.810
tors. eta vs tors. theta energy: -22.309
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 454
Temperature: 1.100000
Total energy: -260.684586 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.684586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.684586 (E_RNA)
where:
Base-Base interactions energy: -182.233
where: short stacking energy: -63.069
Base-Backbone interact. energy: -0.072
local terms energy: -78.379607
where:
bonds (distance) C4'-P energy: -16.723
bonds (distance) P-C4' energy: -15.071
flat angles C4'-P-C4' energy: -17.257
flat angles P-C4'-P energy: -11.657
tors. eta vs tors. theta energy: -17.671
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 454
Temperature: 1.150000
Total energy: -251.729832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.729832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.729832 (E_RNA)
where:
Base-Base interactions energy: -174.394
where: short stacking energy: -68.484
Base-Backbone interact. energy: -0.133
local terms energy: -77.203331
where:
bonds (distance) C4'-P energy: -12.639
bonds (distance) P-C4' energy: -17.635
flat angles C4'-P-C4' energy: -15.067
flat angles P-C4'-P energy: -9.223
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: 7, replica: 8
=====================================
Write number: 454
Temperature: 1.200000
Total energy: -173.317267 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -173.317267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -173.317267 (E_RNA)
where:
Base-Base interactions energy: -109.899
where: short stacking energy: -48.852
Base-Backbone interact. energy: -0.282
local terms energy: -63.135501
where:
bonds (distance) C4'-P energy: -9.800
bonds (distance) P-C4' energy: -16.428
flat angles C4'-P-C4' energy: -15.979
flat angles P-C4'-P energy: -10.118
tors. eta vs tors. theta energy: -10.810
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 454
Temperature: 1.250000
Total energy: -172.182016 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.182016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.182016 (E_RNA)
where:
Base-Base interactions energy: -103.271
where: short stacking energy: -51.150
Base-Backbone interact. energy: 1.185
local terms energy: -70.095267
where:
bonds (distance) C4'-P energy: -15.960
bonds (distance) P-C4' energy: -16.821
flat angles C4'-P-C4' energy: -16.497
flat angles P-C4'-P energy: -9.359
tors. eta vs tors. theta energy: -11.458
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 454
Temperature: 1.300000
Total energy: -88.279553 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.279553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.279553 (E_RNA)
where:
Base-Base interactions energy: -31.046
where: short stacking energy: -28.145
Base-Backbone interact. energy: 0.010
local terms energy: -57.243041
where:
bonds (distance) C4'-P energy: -16.001
bonds (distance) P-C4' energy: -18.514
flat angles C4'-P-C4' energy: -17.908
flat angles P-C4'-P energy: -0.580
tors. eta vs tors. theta energy: -4.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 454
Temperature: 1.350000
Total energy: -92.241459 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.241459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.241459 (E_RNA)
where:
Base-Base interactions energy: -39.269
where: short stacking energy: -39.269
Base-Backbone interact. energy: -0.157
local terms energy: -52.815235
where:
bonds (distance) C4'-P energy: -12.358
bonds (distance) P-C4' energy: -11.070
flat angles C4'-P-C4' energy: -16.243
flat angles P-C4'-P energy: -9.978
tors. eta vs tors. theta energy: -3.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 455
Temperature: 0.900000
Total energy: -288.091327 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.091327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.091327 (E_RNA)
where:
Base-Base interactions energy: -196.132
where: short stacking energy: -80.300
Base-Backbone interact. energy: -0.015
local terms energy: -91.944303
where:
bonds (distance) C4'-P energy: -18.829
bonds (distance) P-C4' energy: -17.576
flat angles C4'-P-C4' energy: -17.099
flat angles P-C4'-P energy: -10.838
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: 10
=====================================
Write number: 455
Temperature: 0.950000
Total energy: -284.352188 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.352188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.352188 (E_RNA)
where:
Base-Base interactions energy: -189.346
where: short stacking energy: -80.371
Base-Backbone interact. energy: -0.464
local terms energy: -94.542094
where:
bonds (distance) C4'-P energy: -17.405
bonds (distance) P-C4' energy: -15.786
flat angles C4'-P-C4' energy: -19.717
flat angles P-C4'-P energy: -13.470
tors. eta vs tors. theta energy: -28.164
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 455
Temperature: 1.000000
Total energy: -283.630351 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.630351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.630351 (E_RNA)
where:
Base-Base interactions energy: -203.702
where: short stacking energy: -81.108
Base-Backbone interact. energy: -0.170
local terms energy: -79.758761
where:
bonds (distance) C4'-P energy: -15.816
bonds (distance) P-C4' energy: -13.749
flat angles C4'-P-C4' energy: -17.235
flat angles P-C4'-P energy: -12.417
tors. eta vs tors. theta energy: -20.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 455
Temperature: 1.050000
Total energy: -265.938551 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.938551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.938551 (E_RNA)
where:
Base-Base interactions energy: -178.274
where: short stacking energy: -77.288
Base-Backbone interact. energy: -0.504
local terms energy: -87.160935
where:
bonds (distance) C4'-P energy: -15.555
bonds (distance) P-C4' energy: -17.417
flat angles C4'-P-C4' energy: -17.350
flat angles P-C4'-P energy: -12.134
tors. eta vs tors. theta energy: -24.705
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: 7
=====================================
Write number: 455
Temperature: 1.100000
Total energy: -268.450978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.450978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.450978 (E_RNA)
where:
Base-Base interactions energy: -184.588
where: short stacking energy: -70.986
Base-Backbone interact. energy: -0.356
local terms energy: -83.507008
where:
bonds (distance) C4'-P energy: -17.707
bonds (distance) P-C4' energy: -17.511
flat angles C4'-P-C4' energy: -19.422
flat angles P-C4'-P energy: -6.201
tors. eta vs tors. theta energy: -22.666
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: 6
=====================================
Write number: 455
Temperature: 1.150000
Total energy: -263.306423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.306423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.306423 (E_RNA)
where:
Base-Base interactions energy: -187.527
where: short stacking energy: -75.755
Base-Backbone interact. energy: -0.257
local terms energy: -75.521953
where:
bonds (distance) C4'-P energy: -14.587
bonds (distance) P-C4' energy: -11.352
flat angles C4'-P-C4' energy: -16.362
flat angles P-C4'-P energy: -14.948
tors. eta vs tors. theta energy: -18.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 8
=====================================
Write number: 455
Temperature: 1.200000
Total energy: -202.999369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -202.999369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -202.999369 (E_RNA)
where:
Base-Base interactions energy: -132.461
where: short stacking energy: -54.754
Base-Backbone interact. energy: -0.598
local terms energy: -69.940062
where:
bonds (distance) C4'-P energy: -9.837
bonds (distance) P-C4' energy: -17.351
flat angles C4'-P-C4' energy: -16.222
flat angles P-C4'-P energy: -10.385
tors. eta vs tors. theta energy: -16.144
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 455
Temperature: 1.250000
Total energy: -175.042636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -175.042636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -175.042636 (E_RNA)
where:
Base-Base interactions energy: -117.352
where: short stacking energy: -47.280
Base-Backbone interact. energy: -0.979
local terms energy: -56.711901
where:
bonds (distance) C4'-P energy: -8.300
bonds (distance) P-C4' energy: -17.595
flat angles C4'-P-C4' energy: -15.823
flat angles P-C4'-P energy: -6.827
tors. eta vs tors. theta energy: -8.168
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: 9
=====================================
Write number: 455
Temperature: 1.300000
Total energy: -85.189825 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.189825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.189825 (E_RNA)
where:
Base-Base interactions energy: -30.748
where: short stacking energy: -16.972
Base-Backbone interact. energy: -0.322
local terms energy: -54.119729
where:
bonds (distance) C4'-P energy: -13.974
bonds (distance) P-C4' energy: -11.961
flat angles C4'-P-C4' energy: -13.512
flat angles P-C4'-P energy: -8.237
tors. eta vs tors. theta energy: -6.436
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: 2
=====================================
Write number: 455
Temperature: 1.350000
Total energy: -83.191601 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.191601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.191601 (E_RNA)
where:
Base-Base interactions energy: -30.782
where: short stacking energy: -27.294
Base-Backbone interact. energy: 0.851
local terms energy: -53.260696
where:
bonds (distance) C4'-P energy: -13.419
bonds (distance) P-C4' energy: -13.770
flat angles C4'-P-C4' energy: -11.771
flat angles P-C4'-P energy: -10.475
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: 456
Temperature: 0.900000
Total energy: -287.675359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.675359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.675359 (E_RNA)
where:
Base-Base interactions energy: -195.816
where: short stacking energy: -87.497
Base-Backbone interact. energy: -0.615
local terms energy: -91.244640
where:
bonds (distance) C4'-P energy: -17.182
bonds (distance) P-C4' energy: -17.459
flat angles C4'-P-C4' energy: -18.784
flat angles P-C4'-P energy: -14.208
tors. eta vs tors. theta energy: -23.612
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: 10
=====================================
Write number: 456
Temperature: 0.950000
Total energy: -283.181851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.181851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.181851 (E_RNA)
where:
Base-Base interactions energy: -194.773
where: short stacking energy: -80.087
Base-Backbone interact. energy: 1.473
local terms energy: -89.881910
where:
bonds (distance) C4'-P energy: -16.246
bonds (distance) P-C4' energy: -14.406
flat angles C4'-P-C4' energy: -19.697
flat angles P-C4'-P energy: -15.023
tors. eta vs tors. theta energy: -24.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 456
Temperature: 1.000000
Total energy: -280.890467 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.890467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.890467 (E_RNA)
where:
Base-Base interactions energy: -185.173
where: short stacking energy: -79.431
Base-Backbone interact. energy: -1.559
local terms energy: -94.157876
where:
bonds (distance) C4'-P energy: -18.929
bonds (distance) P-C4' energy: -14.447
flat angles C4'-P-C4' energy: -19.858
flat angles P-C4'-P energy: -13.207
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: 4, replica: 4
=====================================
Write number: 456
Temperature: 1.050000
Total energy: -270.404850 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.404850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.404850 (E_RNA)
where:
Base-Base interactions energy: -191.478
where: short stacking energy: -73.596
Base-Backbone interact. energy: -0.373
local terms energy: -78.554043
where:
bonds (distance) C4'-P energy: -13.190
bonds (distance) P-C4' energy: -15.060
flat angles C4'-P-C4' energy: -17.020
flat angles P-C4'-P energy: -14.593
tors. eta vs tors. theta energy: -18.691
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: 7
=====================================
Write number: 456
Temperature: 1.100000
Total energy: -273.926882 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.926882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.926882 (E_RNA)
where:
Base-Base interactions energy: -189.428
where: short stacking energy: -80.040
Base-Backbone interact. energy: -0.001
local terms energy: -84.497917
where:
bonds (distance) C4'-P energy: -14.247
bonds (distance) P-C4' energy: -14.944
flat angles C4'-P-C4' energy: -16.670
flat angles P-C4'-P energy: -13.151
tors. eta vs tors. theta energy: -25.486
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 6
=====================================
Write number: 456
Temperature: 1.150000
Total energy: -260.577993 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -260.577993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -260.577993 (E_RNA)
where:
Base-Base interactions energy: -178.132
where: short stacking energy: -78.443
Base-Backbone interact. energy: -0.015
local terms energy: -82.430616
where:
bonds (distance) C4'-P energy: -16.608
bonds (distance) P-C4' energy: -13.246
flat angles C4'-P-C4' energy: -18.380
flat angles P-C4'-P energy: -12.941
tors. eta vs tors. theta energy: -21.256
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 456
Temperature: 1.200000
Total energy: -185.720887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -185.720887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -185.720887 (E_RNA)
where:
Base-Base interactions energy: -118.393
where: short stacking energy: -43.695
Base-Backbone interact. energy: -0.140
local terms energy: -67.187317
where:
bonds (distance) C4'-P energy: -15.484
bonds (distance) P-C4' energy: -17.097
flat angles C4'-P-C4' energy: -17.425
flat angles P-C4'-P energy: -9.619
tors. eta vs tors. theta energy: -7.562
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: 8
=====================================
Write number: 456
Temperature: 1.250000
Total energy: -166.499439 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.499439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.499439 (E_RNA)
where:
Base-Base interactions energy: -100.615
where: short stacking energy: -48.916
Base-Backbone interact. energy: 0.165
local terms energy: -66.049493
where:
bonds (distance) C4'-P energy: -19.538
bonds (distance) P-C4' energy: -10.806
flat angles C4'-P-C4' energy: -16.248
flat angles P-C4'-P energy: -11.668
tors. eta vs tors. theta energy: -7.790
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 456
Temperature: 1.300000
Total energy: -90.177470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.177470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.177470 (E_RNA)
where:
Base-Base interactions energy: -37.868
where: short stacking energy: -31.133
Base-Backbone interact. energy: -0.114
local terms energy: -52.196128
where:
bonds (distance) C4'-P energy: -11.353
bonds (distance) P-C4' energy: -13.222
flat angles C4'-P-C4' energy: -12.082
flat angles P-C4'-P energy: -10.467
tors. eta vs tors. theta energy: -5.071
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: 9
=====================================
Write number: 456
Temperature: 1.350000
Total energy: -89.114917 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.114917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.114917 (E_RNA)
where:
Base-Base interactions energy: -34.731
where: short stacking energy: -34.731
Base-Backbone interact. energy: -0.107
local terms energy: -54.276245
where:
bonds (distance) C4'-P energy: -13.320
bonds (distance) P-C4' energy: -12.610
flat angles C4'-P-C4' energy: -16.383
flat angles P-C4'-P energy: -10.092
tors. eta vs tors. theta energy: -1.871
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 457
Temperature: 0.900000
Total energy: -286.838151 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.838151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.838151 (E_RNA)
where:
Base-Base interactions energy: -194.058
where: short stacking energy: -80.474
Base-Backbone interact. energy: -0.043
local terms energy: -92.737567
where:
bonds (distance) C4'-P energy: -17.069
bonds (distance) P-C4' energy: -20.484
flat angles C4'-P-C4' energy: -18.935
flat angles P-C4'-P energy: -13.697
tors. eta vs tors. theta energy: -22.552
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 457
Temperature: 0.950000
Total energy: -274.199424 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.199424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.199424 (E_RNA)
where:
Base-Base interactions energy: -187.360
where: short stacking energy: -75.068
Base-Backbone interact. energy: -0.006
local terms energy: -86.834162
where:
bonds (distance) C4'-P energy: -16.034
bonds (distance) P-C4' energy: -17.981
flat angles C4'-P-C4' energy: -14.438
flat angles P-C4'-P energy: -15.175
tors. eta vs tors. theta energy: -23.205
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 457
Temperature: 1.000000
Total energy: -283.828716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.828716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.828716 (E_RNA)
where:
Base-Base interactions energy: -189.708
where: short stacking energy: -82.990
Base-Backbone interact. energy: 0.297
local terms energy: -94.418257
where:
bonds (distance) C4'-P energy: -15.813
bonds (distance) P-C4' energy: -20.364
flat angles C4'-P-C4' energy: -20.156
flat angles P-C4'-P energy: -13.066
tors. eta vs tors. theta energy: -25.019
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 457
Temperature: 1.050000
Total energy: -271.256780 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.256780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.256780 (E_RNA)
where:
Base-Base interactions energy: -183.989
where: short stacking energy: -75.519
Base-Backbone interact. energy: -0.136
local terms energy: -87.131961
where:
bonds (distance) C4'-P energy: -18.059
bonds (distance) P-C4' energy: -15.908
flat angles C4'-P-C4' energy: -20.007
flat angles P-C4'-P energy: -12.441
tors. eta vs tors. theta energy: -20.717
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: 4
=====================================
Write number: 457
Temperature: 1.100000
Total energy: -275.350185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.350185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.350185 (E_RNA)
where:
Base-Base interactions energy: -188.779
where: short stacking energy: -76.204
Base-Backbone interact. energy: -0.031
local terms energy: -86.540095
where:
bonds (distance) C4'-P energy: -16.995
bonds (distance) P-C4' energy: -18.425
flat angles C4'-P-C4' energy: -16.033
flat angles P-C4'-P energy: -13.469
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: 6, replica: 6
=====================================
Write number: 457
Temperature: 1.150000
Total energy: -259.799469 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.799469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.799469 (E_RNA)
where:
Base-Base interactions energy: -177.908
where: short stacking energy: -72.385
Base-Backbone interact. energy: -0.007
local terms energy: -81.884431
where:
bonds (distance) C4'-P energy: -15.587
bonds (distance) P-C4' energy: -14.215
flat angles C4'-P-C4' energy: -19.990
flat angles P-C4'-P energy: -8.024
tors. eta vs tors. theta energy: -24.069
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: 1
=====================================
Write number: 457
Temperature: 1.200000
Total energy: -165.531511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -165.531511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -165.531511 (E_RNA)
where:
Base-Base interactions energy: -104.313
where: short stacking energy: -42.120
Base-Backbone interact. energy: -0.383
local terms energy: -60.835273
where:
bonds (distance) C4'-P energy: -15.510
bonds (distance) P-C4' energy: -14.824
flat angles C4'-P-C4' energy: -14.299
flat angles P-C4'-P energy: -10.361
tors. eta vs tors. theta energy: -5.842
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 457
Temperature: 1.250000
Total energy: -103.352433 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.352433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.352433 (E_RNA)
where:
Base-Base interactions energy: -42.952
where: short stacking energy: -42.952
Base-Backbone interact. energy: -0.349
local terms energy: -60.051483
where:
bonds (distance) C4'-P energy: -11.558
bonds (distance) P-C4' energy: -15.032
flat angles C4'-P-C4' energy: -14.672
flat angles P-C4'-P energy: -11.031
tors. eta vs tors. theta energy: -7.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 457
Temperature: 1.300000
Total energy: -132.316716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -132.316716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -132.316716 (E_RNA)
where:
Base-Base interactions energy: -71.202
where: short stacking energy: -31.744
Base-Backbone interact. energy: -0.195
local terms energy: -60.919026
where:
bonds (distance) C4'-P energy: -14.664
bonds (distance) P-C4' energy: -15.176
flat angles C4'-P-C4' energy: -16.169
flat angles P-C4'-P energy: -10.086
tors. eta vs tors. theta energy: -4.824
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: 10, replica: 9
=====================================
Write number: 457
Temperature: 1.350000
Total energy: -84.836344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.836344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.836344 (E_RNA)
where:
Base-Base interactions energy: -26.080
where: short stacking energy: -26.027
Base-Backbone interact. energy: -0.213
local terms energy: -58.543661
where:
bonds (distance) C4'-P energy: -13.947
bonds (distance) P-C4' energy: -12.508
flat angles C4'-P-C4' energy: -19.384
flat angles P-C4'-P energy: -8.939
tors. eta vs tors. theta energy: -3.764
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 458
Temperature: 0.900000
Total energy: -297.959084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -297.959084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -297.959084 (E_RNA)
where:
Base-Base interactions energy: -206.284
where: short stacking energy: -80.928
Base-Backbone interact. energy: -1.218
local terms energy: -90.457496
where:
bonds (distance) C4'-P energy: -16.658
bonds (distance) P-C4' energy: -19.735
flat angles C4'-P-C4' energy: -19.681
flat angles P-C4'-P energy: -11.624
tors. eta vs tors. theta energy: -22.760
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 458
Temperature: 0.950000
Total energy: -279.925887 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.925887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.925887 (E_RNA)
where:
Base-Base interactions energy: -192.016
where: short stacking energy: -82.814
Base-Backbone interact. energy: -0.105
local terms energy: -87.804625
where:
bonds (distance) C4'-P energy: -16.349
bonds (distance) P-C4' energy: -16.236
flat angles C4'-P-C4' energy: -18.748
flat angles P-C4'-P energy: -11.648
tors. eta vs tors. theta energy: -24.824
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 458
Temperature: 1.000000
Total energy: -273.227087 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.227087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.227087 (E_RNA)
where:
Base-Base interactions energy: -189.796
where: short stacking energy: -77.354
Base-Backbone interact. energy: -0.007
local terms energy: -83.424428
where:
bonds (distance) C4'-P energy: -12.357
bonds (distance) P-C4' energy: -17.200
flat angles C4'-P-C4' energy: -18.087
flat angles P-C4'-P energy: -12.263
tors. eta vs tors. theta energy: -23.517
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 458
Temperature: 1.050000
Total energy: -275.268055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.268055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.268055 (E_RNA)
where:
Base-Base interactions energy: -181.061
where: short stacking energy: -78.571
Base-Backbone interact. energy: -0.417
local terms energy: -93.789446
where:
bonds (distance) C4'-P energy: -18.473
bonds (distance) P-C4' energy: -16.874
flat angles C4'-P-C4' energy: -19.388
flat angles P-C4'-P energy: -14.278
tors. eta vs tors. theta energy: -24.777
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 458
Temperature: 1.100000
Total energy: -278.002423 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.002423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.002423 (E_RNA)
where:
Base-Base interactions energy: -190.702
where: short stacking energy: -69.945
Base-Backbone interact. energy: -0.155
local terms energy: -87.144591
where:
bonds (distance) C4'-P energy: -18.124
bonds (distance) P-C4' energy: -17.917
flat angles C4'-P-C4' energy: -19.013
flat angles P-C4'-P energy: -11.759
tors. eta vs tors. theta energy: -20.330
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: 6, replica: 4
=====================================
Write number: 458
Temperature: 1.150000
Total energy: -251.110349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.110349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.110349 (E_RNA)
where:
Base-Base interactions energy: -175.904
where: short stacking energy: -73.454
Base-Backbone interact. energy: -0.111
local terms energy: -75.096058
where:
bonds (distance) C4'-P energy: -13.712
bonds (distance) P-C4' energy: -15.439
flat angles C4'-P-C4' energy: -13.387
flat angles P-C4'-P energy: -11.608
tors. eta vs tors. theta energy: -20.950
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 458
Temperature: 1.200000
Total energy: -161.499181 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -161.499181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -161.499181 (E_RNA)
where:
Base-Base interactions energy: -105.048
where: short stacking energy: -47.057
Base-Backbone interact. energy: -0.268
local terms energy: -56.183677
where:
bonds (distance) C4'-P energy: -17.976
bonds (distance) P-C4' energy: -15.095
flat angles C4'-P-C4' energy: -11.719
flat angles P-C4'-P energy: -3.643
tors. eta vs tors. theta energy: -7.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 458
Temperature: 1.250000
Total energy: -104.365348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.365348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.365348 (E_RNA)
where:
Base-Base interactions energy: -43.478
where: short stacking energy: -34.242
Base-Backbone interact. energy: -0.409
local terms energy: -60.477942
where:
bonds (distance) C4'-P energy: -14.806
bonds (distance) P-C4' energy: -20.275
flat angles C4'-P-C4' energy: -10.519
flat angles P-C4'-P energy: -12.180
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: 9, replica: 9
=====================================
Write number: 458
Temperature: 1.300000
Total energy: -103.562805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.562805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.562805 (E_RNA)
where:
Base-Base interactions energy: -48.397
where: short stacking energy: -31.989
Base-Backbone interact. energy: -0.223
local terms energy: -54.942857
where:
bonds (distance) C4'-P energy: -18.420
bonds (distance) P-C4' energy: -16.763
flat angles C4'-P-C4' energy: -11.027
flat angles P-C4'-P energy: -7.588
tors. eta vs tors. theta energy: -1.145
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 458
Temperature: 1.350000
Total energy: -143.082035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -143.082035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -143.082035 (E_RNA)
where:
Base-Base interactions energy: -88.172
where: short stacking energy: -38.345
Base-Backbone interact. energy: -0.171
local terms energy: -54.739632
where:
bonds (distance) C4'-P energy: -15.017
bonds (distance) P-C4' energy: -11.235
flat angles C4'-P-C4' energy: -12.270
flat angles P-C4'-P energy: -7.623
tors. eta vs tors. theta energy: -8.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 3
=====================================
Write number: 459
Temperature: 0.900000
Total energy: -283.798664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.798664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.798664 (E_RNA)
where:
Base-Base interactions energy: -194.400
where: short stacking energy: -76.881
Base-Backbone interact. energy: -0.607
local terms energy: -88.791727
where:
bonds (distance) C4'-P energy: -17.654
bonds (distance) P-C4' energy: -19.430
flat angles C4'-P-C4' energy: -13.529
flat angles P-C4'-P energy: -13.901
tors. eta vs tors. theta energy: -24.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 459
Temperature: 0.950000
Total energy: -293.164538 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.164538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.164538 (E_RNA)
where:
Base-Base interactions energy: -202.040
where: short stacking energy: -80.592
Base-Backbone interact. energy: -0.522
local terms energy: -90.602936
where:
bonds (distance) C4'-P energy: -19.087
bonds (distance) P-C4' energy: -17.530
flat angles C4'-P-C4' energy: -16.490
flat angles P-C4'-P energy: -12.776
tors. eta vs tors. theta energy: -24.720
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 459
Temperature: 1.000000
Total energy: -278.648348 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.648348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.648348 (E_RNA)
where:
Base-Base interactions energy: -191.290
where: short stacking energy: -84.459
Base-Backbone interact. energy: -0.299
local terms energy: -87.059501
where:
bonds (distance) C4'-P energy: -14.527
bonds (distance) P-C4' energy: -17.368
flat angles C4'-P-C4' energy: -16.941
flat angles P-C4'-P energy: -10.813
tors. eta vs tors. theta energy: -27.410
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 459
Temperature: 1.050000
Total energy: -273.585375 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.585375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.585375 (E_RNA)
where:
Base-Base interactions energy: -188.973
where: short stacking energy: -75.975
Base-Backbone interact. energy: -0.554
local terms energy: -84.058503
where:
bonds (distance) C4'-P energy: -18.233
bonds (distance) P-C4' energy: -18.859
flat angles C4'-P-C4' energy: -14.185
flat angles P-C4'-P energy: -9.432
tors. eta vs tors. theta energy: -23.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 459
Temperature: 1.100000
Total energy: -270.019482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.019482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.019482 (E_RNA)
where:
Base-Base interactions energy: -179.763
where: short stacking energy: -63.515
Base-Backbone interact. energy: -0.395
local terms energy: -89.861019
where:
bonds (distance) C4'-P energy: -17.484
bonds (distance) P-C4' energy: -20.812
flat angles C4'-P-C4' energy: -17.416
flat angles P-C4'-P energy: -9.794
tors. eta vs tors. theta energy: -24.356
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 459
Temperature: 1.150000
Total energy: -245.875486 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.875486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.875486 (E_RNA)
where:
Base-Base interactions energy: -167.221
where: short stacking energy: -65.115
Base-Backbone interact. energy: -0.888
local terms energy: -77.766578
where:
bonds (distance) C4'-P energy: -12.960
bonds (distance) P-C4' energy: -18.284
flat angles C4'-P-C4' energy: -20.485
flat angles P-C4'-P energy: -8.930
tors. eta vs tors. theta energy: -17.107
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: 459
Temperature: 1.200000
Total energy: -180.130876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.130876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.130876 (E_RNA)
where:
Base-Base interactions energy: -115.789
where: short stacking energy: -58.582
Base-Backbone interact. energy: -0.831
local terms energy: -63.510250
where:
bonds (distance) C4'-P energy: -6.248
bonds (distance) P-C4' energy: -14.788
flat angles C4'-P-C4' energy: -20.427
flat angles P-C4'-P energy: -8.201
tors. eta vs tors. theta energy: -13.847
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 459
Temperature: 1.250000
Total energy: -109.926938 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.926938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.926938 (E_RNA)
where:
Base-Base interactions energy: -46.261
where: short stacking energy: -38.200
Base-Backbone interact. energy: -0.083
local terms energy: -63.582949
where:
bonds (distance) C4'-P energy: -16.830
bonds (distance) P-C4' energy: -15.100
flat angles C4'-P-C4' energy: -13.348
flat angles P-C4'-P energy: -14.543
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: 9, replica: 2
=====================================
Write number: 459
Temperature: 1.300000
Total energy: -99.088822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.088822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.088822 (E_RNA)
where:
Base-Base interactions energy: -38.029
where: short stacking energy: -32.413
Base-Backbone interact. energy: -0.263
local terms energy: -60.797027
where:
bonds (distance) C4'-P energy: -14.314
bonds (distance) P-C4' energy: -17.315
flat angles C4'-P-C4' energy: -13.305
flat angles P-C4'-P energy: -10.776
tors. eta vs tors. theta energy: -5.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 459
Temperature: 1.350000
Total energy: -162.037690 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -162.037690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -162.037690 (E_RNA)
where:
Base-Base interactions energy: -104.297
where: short stacking energy: -42.016
Base-Backbone interact. energy: -0.966
local terms energy: -56.774189
where:
bonds (distance) C4'-P energy: -9.759
bonds (distance) P-C4' energy: -15.820
flat angles C4'-P-C4' energy: -14.517
flat angles P-C4'-P energy: -11.513
tors. eta vs tors. theta energy: -5.165
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 460
Temperature: 0.900000
Total energy: -285.646911 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.646911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.646911 (E_RNA)
where:
Base-Base interactions energy: -195.197
where: short stacking energy: -82.358
Base-Backbone interact. energy: -1.538
local terms energy: -88.911766
where:
bonds (distance) C4'-P energy: -17.206
bonds (distance) P-C4' energy: -15.880
flat angles C4'-P-C4' energy: -17.756
flat angles P-C4'-P energy: -12.478
tors. eta vs tors. theta energy: -25.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 3
=====================================
Write number: 460
Temperature: 0.950000
Total energy: -290.797129 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.797129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.797129 (E_RNA)
where:
Base-Base interactions energy: -196.029
where: short stacking energy: -85.135
Base-Backbone interact. energy: 1.157
local terms energy: -95.924864
where:
bonds (distance) C4'-P energy: -18.900
bonds (distance) P-C4' energy: -18.266
flat angles C4'-P-C4' energy: -19.907
flat angles P-C4'-P energy: -11.890
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: 5
=====================================
Write number: 460
Temperature: 1.000000
Total energy: -279.940425 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.940425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.940425 (E_RNA)
where:
Base-Base interactions energy: -191.929
where: short stacking energy: -87.344
Base-Backbone interact. energy: -1.623
local terms energy: -86.388796
where:
bonds (distance) C4'-P energy: -15.447
bonds (distance) P-C4' energy: -17.710
flat angles C4'-P-C4' energy: -18.447
flat angles P-C4'-P energy: -8.550
tors. eta vs tors. theta energy: -26.236
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: 4, replica: 6
=====================================
Write number: 460
Temperature: 1.050000
Total energy: -271.021115 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.021115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.021115 (E_RNA)
where:
Base-Base interactions energy: -185.177
where: short stacking energy: -79.903
Base-Backbone interact. energy: -0.018
local terms energy: -85.826017
where:
bonds (distance) C4'-P energy: -17.016
bonds (distance) P-C4' energy: -17.220
flat angles C4'-P-C4' energy: -17.386
flat angles P-C4'-P energy: -10.917
tors. eta vs tors. theta energy: -23.288
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: 460
Temperature: 1.100000
Total energy: -267.352002 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.352002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.352002 (E_RNA)
where:
Base-Base interactions energy: -179.227
where: short stacking energy: -66.050
Base-Backbone interact. energy: -0.178
local terms energy: -87.946351
where:
bonds (distance) C4'-P energy: -17.918
bonds (distance) P-C4' energy: -21.271
flat angles C4'-P-C4' energy: -17.332
flat angles P-C4'-P energy: -11.463
tors. eta vs tors. theta energy: -19.962
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 460
Temperature: 1.150000
Total energy: -264.414830 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.414830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.414830 (E_RNA)
where:
Base-Base interactions energy: -181.508
where: short stacking energy: -66.138
Base-Backbone interact. energy: -1.599
local terms energy: -81.307633
where:
bonds (distance) C4'-P energy: -15.721
bonds (distance) P-C4' energy: -17.509
flat angles C4'-P-C4' energy: -12.374
flat angles P-C4'-P energy: -13.377
tors. eta vs tors. theta energy: -22.326
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 460
Temperature: 1.200000
Total energy: -155.773932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -155.773932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -155.773932 (E_RNA)
where:
Base-Base interactions energy: -99.207
where: short stacking energy: -48.283
Base-Backbone interact. energy: -0.180
local terms energy: -56.386954
where:
bonds (distance) C4'-P energy: -13.950
bonds (distance) P-C4' energy: -10.801
flat angles C4'-P-C4' energy: -16.870
flat angles P-C4'-P energy: -7.496
tors. eta vs tors. theta energy: -7.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 460
Temperature: 1.250000
Total energy: -97.855426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.855426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.855426 (E_RNA)
where:
Base-Base interactions energy: -36.382
where: short stacking energy: -27.867
Base-Backbone interact. energy: -0.009
local terms energy: -61.464495
where:
bonds (distance) C4'-P energy: -14.785
bonds (distance) P-C4' energy: -16.535
flat angles C4'-P-C4' energy: -16.367
flat angles P-C4'-P energy: -11.336
tors. eta vs tors. theta energy: -2.442
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 460
Temperature: 1.300000
Total energy: -107.126815 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.126815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.126815 (E_RNA)
where:
Base-Base interactions energy: -50.357
where: short stacking energy: -30.691
Base-Backbone interact. energy: -0.301
local terms energy: -56.468727
where:
bonds (distance) C4'-P energy: -11.173
bonds (distance) P-C4' energy: -17.498
flat angles C4'-P-C4' energy: -17.237
flat angles P-C4'-P energy: -10.475
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: 10, replica: 2
=====================================
Write number: 460
Temperature: 1.350000
Total energy: -83.096059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.096059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.096059 (E_RNA)
where:
Base-Base interactions energy: -18.739
where: short stacking energy: -13.495
Base-Backbone interact. energy: -0.172
local terms energy: -64.185460
where:
bonds (distance) C4'-P energy: -16.271
bonds (distance) P-C4' energy: -18.647
flat angles C4'-P-C4' energy: -16.967
flat angles P-C4'-P energy: -6.576
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: 1, replica: 7
=====================================
Write number: 461
Temperature: 0.900000
Total energy: -293.303427 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.303427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.303427 (E_RNA)
where:
Base-Base interactions energy: -195.066
where: short stacking energy: -79.574
Base-Backbone interact. energy: 0.365
local terms energy: -98.602387
where:
bonds (distance) C4'-P energy: -20.071
bonds (distance) P-C4' energy: -19.640
flat angles C4'-P-C4' energy: -18.239
flat angles P-C4'-P energy: -14.572
tors. eta vs tors. theta energy: -26.082
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 461
Temperature: 0.950000
Total energy: -283.892001 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.892001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.892001 (E_RNA)
where:
Base-Base interactions energy: -193.272
where: short stacking energy: -76.626
Base-Backbone interact. energy: -0.339
local terms energy: -90.281492
where:
bonds (distance) C4'-P energy: -14.964
bonds (distance) P-C4' energy: -17.836
flat angles C4'-P-C4' energy: -18.782
flat angles P-C4'-P energy: -14.123
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: 3, replica: 3
=====================================
Write number: 461
Temperature: 1.000000
Total energy: -278.443102 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.443102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.443102 (E_RNA)
where:
Base-Base interactions energy: -189.710
where: short stacking energy: -83.555
Base-Backbone interact. energy: -0.004
local terms energy: -88.729352
where:
bonds (distance) C4'-P energy: -10.243
bonds (distance) P-C4' energy: -20.639
flat angles C4'-P-C4' energy: -17.756
flat angles P-C4'-P energy: -15.341
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: 4, replica: 4
=====================================
Write number: 461
Temperature: 1.050000
Total energy: -263.172038 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.172038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.172038 (E_RNA)
where:
Base-Base interactions energy: -173.262
where: short stacking energy: -72.122
Base-Backbone interact. energy: -0.037
local terms energy: -89.873424
where:
bonds (distance) C4'-P energy: -17.195
bonds (distance) P-C4' energy: -17.180
flat angles C4'-P-C4' energy: -19.839
flat angles P-C4'-P energy: -11.579
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: 5, replica: 6
=====================================
Write number: 461
Temperature: 1.100000
Total energy: -266.383513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.383513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.383513 (E_RNA)
where:
Base-Base interactions energy: -180.400
where: short stacking energy: -75.048
Base-Backbone interact. energy: -1.673
local terms energy: -84.310489
where:
bonds (distance) C4'-P energy: -17.881
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -16.856
flat angles P-C4'-P energy: -12.182
tors. eta vs tors. theta energy: -20.279
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 461
Temperature: 1.150000
Total energy: -257.365996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.365996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.365996 (E_RNA)
where:
Base-Base interactions energy: -172.184
where: short stacking energy: -70.116
Base-Backbone interact. energy: -0.000
local terms energy: -85.181602
where:
bonds (distance) C4'-P energy: -16.011
bonds (distance) P-C4' energy: -15.894
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -12.042
tors. eta vs tors. theta energy: -25.858
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 461
Temperature: 1.200000
Total energy: -166.944093 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.944093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.944093 (E_RNA)
where:
Base-Base interactions energy: -101.317
where: short stacking energy: -50.081
Base-Backbone interact. energy: -1.004
local terms energy: -64.623011
where:
bonds (distance) C4'-P energy: -14.858
bonds (distance) P-C4' energy: -12.798
flat angles C4'-P-C4' energy: -15.101
flat angles P-C4'-P energy: -11.115
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: 8, replica: 8
=====================================
Write number: 461
Temperature: 1.250000
Total energy: -91.069123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.069123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.069123 (E_RNA)
where:
Base-Base interactions energy: -37.800
where: short stacking energy: -31.989
Base-Backbone interact. energy: -0.834
local terms energy: -52.434549
where:
bonds (distance) C4'-P energy: -15.998
bonds (distance) P-C4' energy: -13.387
flat angles C4'-P-C4' energy: -12.069
flat angles P-C4'-P energy: -6.316
tors. eta vs tors. theta energy: -4.665
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 461
Temperature: 1.300000
Total energy: -91.274796 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.274796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.274796 (E_RNA)
where:
Base-Base interactions energy: -47.732
where: short stacking energy: -37.733
Base-Backbone interact. energy: 0.875
local terms energy: -44.417320
where:
bonds (distance) C4'-P energy: -7.014
bonds (distance) P-C4' energy: -13.735
flat angles C4'-P-C4' energy: -10.773
flat angles P-C4'-P energy: -8.465
tors. eta vs tors. theta energy: -4.430
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 461
Temperature: 1.350000
Total energy: -88.964367 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.964367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.964367 (E_RNA)
where:
Base-Base interactions energy: -32.051
where: short stacking energy: -17.968
Base-Backbone interact. energy: -0.780
local terms energy: -56.132799
where:
bonds (distance) C4'-P energy: -13.687
bonds (distance) P-C4' energy: -16.526
flat angles C4'-P-C4' energy: -13.738
flat angles P-C4'-P energy: -9.133
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: 1, replica: 5
=====================================
Write number: 462
Temperature: 0.900000
Total energy: -287.922942 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.922942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.922942 (E_RNA)
where:
Base-Base interactions energy: -194.299
where: short stacking energy: -78.785
Base-Backbone interact. energy: -1.049
local terms energy: -92.575096
where:
bonds (distance) C4'-P energy: -15.042
bonds (distance) P-C4' energy: -19.044
flat angles C4'-P-C4' energy: -21.562
flat angles P-C4'-P energy: -14.687
tors. eta vs tors. theta energy: -22.239
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 462
Temperature: 0.950000
Total energy: -282.823696 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.823696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.823696 (E_RNA)
where:
Base-Base interactions energy: -190.407
where: short stacking energy: -79.181
Base-Backbone interact. energy: -0.281
local terms energy: -92.135829
where:
bonds (distance) C4'-P energy: -19.040
bonds (distance) P-C4' energy: -15.281
flat angles C4'-P-C4' energy: -17.780
flat angles P-C4'-P energy: -14.953
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: 3, replica: 4
=====================================
Write number: 462
Temperature: 1.000000
Total energy: -267.890449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.890449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.890449 (E_RNA)
where:
Base-Base interactions energy: -181.264
where: short stacking energy: -74.924
Base-Backbone interact. energy: 0.219
local terms energy: -86.844879
where:
bonds (distance) C4'-P energy: -15.894
bonds (distance) P-C4' energy: -20.395
flat angles C4'-P-C4' energy: -19.555
flat angles P-C4'-P energy: -8.730
tors. eta vs tors. theta energy: -22.271
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 462
Temperature: 1.050000
Total energy: -271.017822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.017822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.017822 (E_RNA)
where:
Base-Base interactions energy: -185.108
where: short stacking energy: -72.818
Base-Backbone interact. energy: -0.771
local terms energy: -85.138788
where:
bonds (distance) C4'-P energy: -16.780
bonds (distance) P-C4' energy: -13.654
flat angles C4'-P-C4' energy: -17.377
flat angles P-C4'-P energy: -13.291
tors. eta vs tors. theta energy: -24.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 462
Temperature: 1.100000
Total energy: -265.141379 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.141379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.141379 (E_RNA)
where:
Base-Base interactions energy: -177.956
where: short stacking energy: -66.777
Base-Backbone interact. energy: -0.885
local terms energy: -86.300256
where:
bonds (distance) C4'-P energy: -17.054
bonds (distance) P-C4' energy: -19.249
flat angles C4'-P-C4' energy: -16.175
flat angles P-C4'-P energy: -11.063
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: 6, replica: 10
=====================================
Write number: 462
Temperature: 1.150000
Total energy: -250.166082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -250.166082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -250.166082 (E_RNA)
where:
Base-Base interactions energy: -170.927
where: short stacking energy: -74.299
Base-Backbone interact. energy: -0.607
local terms energy: -78.631343
where:
bonds (distance) C4'-P energy: -12.615
bonds (distance) P-C4' energy: -14.094
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -13.072
tors. eta vs tors. theta energy: -23.317
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 462
Temperature: 1.200000
Total energy: -167.819308 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -167.819308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -167.819308 (E_RNA)
where:
Base-Base interactions energy: -100.718
where: short stacking energy: -47.569
Base-Backbone interact. energy: -0.653
local terms energy: -66.448341
where:
bonds (distance) C4'-P energy: -13.916
bonds (distance) P-C4' energy: -20.032
flat angles C4'-P-C4' energy: -17.237
flat angles P-C4'-P energy: -11.862
tors. eta vs tors. theta energy: -3.401
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 462
Temperature: 1.250000
Total energy: -104.466249 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -104.466249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -104.466249 (E_RNA)
where:
Base-Base interactions energy: -38.495
where: short stacking energy: -28.430
Base-Backbone interact. energy: 0.709
local terms energy: -66.679710
where:
bonds (distance) C4'-P energy: -17.663
bonds (distance) P-C4' energy: -18.150
flat angles C4'-P-C4' energy: -15.838
flat angles P-C4'-P energy: -12.916
tors. eta vs tors. theta energy: -2.113
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 462
Temperature: 1.300000
Total energy: -100.338859 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.338859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.338859 (E_RNA)
where:
Base-Base interactions energy: -53.092
where: short stacking energy: -37.992
Base-Backbone interact. energy: 2.389
local terms energy: -49.636116
where:
bonds (distance) C4'-P energy: -13.331
bonds (distance) P-C4' energy: -13.309
flat angles C4'-P-C4' energy: -17.346
flat angles P-C4'-P energy: -7.736
tors. eta vs tors. theta energy: 2.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 462
Temperature: 1.350000
Total energy: -82.370869 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.370869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.370869 (E_RNA)
where:
Base-Base interactions energy: -30.071
where: short stacking energy: -30.171
Base-Backbone interact. energy: -0.207
local terms energy: -52.092421
where:
bonds (distance) C4'-P energy: -19.915
bonds (distance) P-C4' energy: -14.308
flat angles C4'-P-C4' energy: -10.156
flat angles P-C4'-P energy: -7.723
tors. eta vs tors. theta energy: 0.009
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 463
Temperature: 0.900000
Total energy: -292.118107 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.118107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.118107 (E_RNA)
where:
Base-Base interactions energy: -193.552
where: short stacking energy: -82.727
Base-Backbone interact. energy: -0.409
local terms energy: -98.157200
where:
bonds (distance) C4'-P energy: -18.175
bonds (distance) P-C4' energy: -18.629
flat angles C4'-P-C4' energy: -20.592
flat angles P-C4'-P energy: -13.635
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: 2, replica: 7
=====================================
Write number: 463
Temperature: 0.950000
Total energy: -289.195919 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.195919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.195919 (E_RNA)
where:
Base-Base interactions energy: -197.244
where: short stacking energy: -78.565
Base-Backbone interact. energy: -1.431
local terms energy: -90.521240
where:
bonds (distance) C4'-P energy: -15.459
bonds (distance) P-C4' energy: -21.712
flat angles C4'-P-C4' energy: -17.785
flat angles P-C4'-P energy: -11.737
tors. eta vs tors. theta energy: -23.828
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 463
Temperature: 1.000000
Total energy: -271.464716 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.464716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.464716 (E_RNA)
where:
Base-Base interactions energy: -183.028
where: short stacking energy: -80.190
Base-Backbone interact. energy: -0.172
local terms energy: -88.263933
where:
bonds (distance) C4'-P energy: -20.076
bonds (distance) P-C4' energy: -13.870
flat angles C4'-P-C4' energy: -17.274
flat angles P-C4'-P energy: -12.748
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: 6
=====================================
Write number: 463
Temperature: 1.050000
Total energy: -277.026610 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.026610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.026610 (E_RNA)
where:
Base-Base interactions energy: -192.346
where: short stacking energy: -74.104
Base-Backbone interact. energy: -1.867
local terms energy: -82.813683
where:
bonds (distance) C4'-P energy: -16.213
bonds (distance) P-C4' energy: -15.024
flat angles C4'-P-C4' energy: -20.062
flat angles P-C4'-P energy: -12.633
tors. eta vs tors. theta energy: -18.882
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 463
Temperature: 1.100000
Total energy: -265.846822 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.846822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.846822 (E_RNA)
where:
Base-Base interactions energy: -183.837
where: short stacking energy: -83.968
Base-Backbone interact. energy: -0.003
local terms energy: -82.007232
where:
bonds (distance) C4'-P energy: -14.553
bonds (distance) P-C4' energy: -15.407
flat angles C4'-P-C4' energy: -18.342
flat angles P-C4'-P energy: -10.628
tors. eta vs tors. theta energy: -23.077
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 463
Temperature: 1.150000
Total energy: -263.285117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.285117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.285117 (E_RNA)
where:
Base-Base interactions energy: -181.816
where: short stacking energy: -69.982
Base-Backbone interact. energy: -0.400
local terms energy: -81.068307
where:
bonds (distance) C4'-P energy: -17.474
bonds (distance) P-C4' energy: -13.670
flat angles C4'-P-C4' energy: -18.012
flat angles P-C4'-P energy: -15.319
tors. eta vs tors. theta energy: -16.594
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 463
Temperature: 1.200000
Total energy: -181.418384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -181.418384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -181.418384 (E_RNA)
where:
Base-Base interactions energy: -113.887
where: short stacking energy: -48.365
Base-Backbone interact. energy: 1.963
local terms energy: -69.494637
where:
bonds (distance) C4'-P energy: -11.742
bonds (distance) P-C4' energy: -13.469
flat angles C4'-P-C4' energy: -18.152
flat angles P-C4'-P energy: -12.225
tors. eta vs tors. theta energy: -13.906
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 463
Temperature: 1.250000
Total energy: -130.835963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -130.835963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -130.835963 (E_RNA)
where:
Base-Base interactions energy: -82.641
where: short stacking energy: -41.431
Base-Backbone interact. energy: 0.412
local terms energy: -48.606968
where:
bonds (distance) C4'-P energy: -9.887
bonds (distance) P-C4' energy: -11.130
flat angles C4'-P-C4' energy: -13.260
flat angles P-C4'-P energy: -11.440
tors. eta vs tors. theta energy: -2.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 463
Temperature: 1.300000
Total energy: -103.111580 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -103.111580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -103.111580 (E_RNA)
where:
Base-Base interactions energy: -47.672
where: short stacking energy: -25.544
Base-Backbone interact. energy: 1.774
local terms energy: -57.213381
where:
bonds (distance) C4'-P energy: -13.001
bonds (distance) P-C4' energy: -15.619
flat angles C4'-P-C4' energy: -14.423
flat angles P-C4'-P energy: -10.048
tors. eta vs tors. theta energy: -4.123
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 463
Temperature: 1.350000
Total energy: -78.867647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -78.867647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -78.867647 (E_RNA)
where:
Base-Base interactions energy: -30.449
where: short stacking energy: -20.882
Base-Backbone interact. energy: 3.242
local terms energy: -51.660368
where:
bonds (distance) C4'-P energy: -12.741
bonds (distance) P-C4' energy: -17.560
flat angles C4'-P-C4' energy: -11.357
flat angles P-C4'-P energy: -6.594
tors. eta vs tors. theta energy: -3.408
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 464
Temperature: 0.900000
Total energy: -291.381843 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.381843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.381843 (E_RNA)
where:
Base-Base interactions energy: -193.998
where: short stacking energy: -84.199
Base-Backbone interact. energy: -0.185
local terms energy: -97.199238
where:
bonds (distance) C4'-P energy: -19.268
bonds (distance) P-C4' energy: -20.437
flat angles C4'-P-C4' energy: -21.382
flat angles P-C4'-P energy: -9.590
tors. eta vs tors. theta energy: -26.522
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: 464
Temperature: 0.950000
Total energy: -283.331989 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.331989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.331989 (E_RNA)
where:
Base-Base interactions energy: -194.917
where: short stacking energy: -79.907
Base-Backbone interact. energy: -0.538
local terms energy: -87.877367
where:
bonds (distance) C4'-P energy: -16.460
bonds (distance) P-C4' energy: -11.791
flat angles C4'-P-C4' energy: -21.274
flat angles P-C4'-P energy: -11.753
tors. eta vs tors. theta energy: -26.600
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 464
Temperature: 1.000000
Total energy: -277.077350 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.077350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.077350 (E_RNA)
where:
Base-Base interactions energy: -192.809
where: short stacking energy: -75.483
Base-Backbone interact. energy: -0.144
local terms energy: -84.124566
where:
bonds (distance) C4'-P energy: -18.356
bonds (distance) P-C4' energy: -18.122
flat angles C4'-P-C4' energy: -16.311
flat angles P-C4'-P energy: -12.726
tors. eta vs tors. theta energy: -18.610
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 464
Temperature: 1.050000
Total energy: -268.106819 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.106819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.106819 (E_RNA)
where:
Base-Base interactions energy: -184.113
where: short stacking energy: -73.210
Base-Backbone interact. energy: -0.061
local terms energy: -83.933047
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -14.236
flat angles C4'-P-C4' energy: -19.124
flat angles P-C4'-P energy: -12.697
tors. eta vs tors. theta energy: -21.759
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 464
Temperature: 1.100000
Total energy: -273.476613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.476613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.476613 (E_RNA)
where:
Base-Base interactions energy: -186.209
where: short stacking energy: -75.156
Base-Backbone interact. energy: -0.014
local terms energy: -87.253179
where:
bonds (distance) C4'-P energy: -16.118
bonds (distance) P-C4' energy: -17.407
flat angles C4'-P-C4' energy: -15.370
flat angles P-C4'-P energy: -14.091
tors. eta vs tors. theta energy: -24.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 464
Temperature: 1.150000
Total energy: -262.915415 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.915415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.915415 (E_RNA)
where:
Base-Base interactions energy: -175.692
where: short stacking energy: -77.360
Base-Backbone interact. energy: -0.077
local terms energy: -87.146616
where:
bonds (distance) C4'-P energy: -14.443
bonds (distance) P-C4' energy: -19.088
flat angles C4'-P-C4' energy: -18.603
flat angles P-C4'-P energy: -13.870
tors. eta vs tors. theta energy: -21.143
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 464
Temperature: 1.200000
Total energy: -189.062487 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -189.062487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -189.062487 (E_RNA)
where:
Base-Base interactions energy: -112.865
where: short stacking energy: -49.666
Base-Backbone interact. energy: -0.091
local terms energy: -76.106348
where:
bonds (distance) C4'-P energy: -16.441
bonds (distance) P-C4' energy: -17.932
flat angles C4'-P-C4' energy: -15.662
flat angles P-C4'-P energy: -11.732
tors. eta vs tors. theta energy: -14.340
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 464
Temperature: 1.250000
Total energy: -107.239988 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.239988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.239988 (E_RNA)
where:
Base-Base interactions energy: -53.841
where: short stacking energy: -30.547
Base-Backbone interact. energy: -0.413
local terms energy: -52.985768
where:
bonds (distance) C4'-P energy: -17.521
bonds (distance) P-C4' energy: -17.144
flat angles C4'-P-C4' energy: -16.105
flat angles P-C4'-P energy: -3.253
tors. eta vs tors. theta energy: 1.037
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 464
Temperature: 1.300000
Total energy: -113.297923 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -113.297923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -113.297923 (E_RNA)
where:
Base-Base interactions energy: -50.293
where: short stacking energy: -38.742
Base-Backbone interact. energy: -0.101
local terms energy: -62.903682
where:
bonds (distance) C4'-P energy: -14.786
bonds (distance) P-C4' energy: -13.971
flat angles C4'-P-C4' energy: -14.049
flat angles P-C4'-P energy: -10.626
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: 10, replica: 9
=====================================
Write number: 464
Temperature: 1.350000
Total energy: -84.775870 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.775870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.775870 (E_RNA)
where:
Base-Base interactions energy: -26.339
where: short stacking energy: -18.820
Base-Backbone interact. energy: -0.309
local terms energy: -58.127018
where:
bonds (distance) C4'-P energy: -16.030
bonds (distance) P-C4' energy: -17.548
flat angles C4'-P-C4' energy: -11.690
flat angles P-C4'-P energy: -12.038
tors. eta vs tors. theta energy: -0.821
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 465
Temperature: 0.900000
Total energy: -291.449430 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -291.449430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -291.449430 (E_RNA)
where:
Base-Base interactions energy: -198.533
where: short stacking energy: -88.534
Base-Backbone interact. energy: -0.011
local terms energy: -92.906296
where:
bonds (distance) C4'-P energy: -16.233
bonds (distance) P-C4' energy: -18.692
flat angles C4'-P-C4' energy: -18.080
flat angles P-C4'-P energy: -10.863
tors. eta vs tors. theta energy: -29.038
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 465
Temperature: 0.950000
Total energy: -282.466385 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.466385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.466385 (E_RNA)
where:
Base-Base interactions energy: -192.274
where: short stacking energy: -77.715
Base-Backbone interact. energy: -1.021
local terms energy: -89.172033
where:
bonds (distance) C4'-P energy: -19.045
bonds (distance) P-C4' energy: -16.930
flat angles C4'-P-C4' energy: -19.796
flat angles P-C4'-P energy: -8.845
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: 3, replica: 6
=====================================
Write number: 465
Temperature: 1.000000
Total energy: -280.103275 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.103275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.103275 (E_RNA)
where:
Base-Base interactions energy: -191.549
where: short stacking energy: -73.913
Base-Backbone interact. energy: -1.089
local terms energy: -87.465227
where:
bonds (distance) C4'-P energy: -16.134
bonds (distance) P-C4' energy: -18.039
flat angles C4'-P-C4' energy: -18.345
flat angles P-C4'-P energy: -13.000
tors. eta vs tors. theta energy: -21.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 465
Temperature: 1.050000
Total energy: -262.924078 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.924078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.924078 (E_RNA)
where:
Base-Base interactions energy: -181.486
where: short stacking energy: -69.611
Base-Backbone interact. energy: -0.040
local terms energy: -81.398134
where:
bonds (distance) C4'-P energy: -17.893
bonds (distance) P-C4' energy: -21.172
flat angles C4'-P-C4' energy: -16.623
flat angles P-C4'-P energy: -6.309
tors. eta vs tors. theta energy: -19.400
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 465
Temperature: 1.100000
Total energy: -267.544248 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.544248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.544248 (E_RNA)
where:
Base-Base interactions energy: -189.804
where: short stacking energy: -70.655
Base-Backbone interact. energy: -0.296
local terms energy: -77.444042
where:
bonds (distance) C4'-P energy: -14.639
bonds (distance) P-C4' energy: -15.007
flat angles C4'-P-C4' energy: -15.648
flat angles P-C4'-P energy: -11.793
tors. eta vs tors. theta energy: -20.357
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 465
Temperature: 1.150000
Total energy: -200.284512 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -200.284512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -200.284512 (E_RNA)
where:
Base-Base interactions energy: -130.616
where: short stacking energy: -53.660
Base-Backbone interact. energy: -0.976
local terms energy: -68.692464
where:
bonds (distance) C4'-P energy: -12.602
bonds (distance) P-C4' energy: -13.902
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -10.449
tors. eta vs tors. theta energy: -16.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 465
Temperature: 1.200000
Total energy: -263.342623 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.342623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.342623 (E_RNA)
where:
Base-Base interactions energy: -183.674
where: short stacking energy: -75.215
Base-Backbone interact. energy: 1.223
local terms energy: -80.892110
where:
bonds (distance) C4'-P energy: -16.028
bonds (distance) P-C4' energy: -10.165
flat angles C4'-P-C4' energy: -19.512
flat angles P-C4'-P energy: -10.714
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: 8, replica: 2
=====================================
Write number: 465
Temperature: 1.250000
Total energy: -97.238091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.238091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.238091 (E_RNA)
where:
Base-Base interactions energy: -35.843
where: short stacking energy: -35.843
Base-Backbone interact. energy: -0.076
local terms energy: -61.319011
where:
bonds (distance) C4'-P energy: -12.029
bonds (distance) P-C4' energy: -16.350
flat angles C4'-P-C4' energy: -12.970
flat angles P-C4'-P energy: -11.430
tors. eta vs tors. theta energy: -8.541
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: 8
=====================================
Write number: 465
Temperature: 1.300000
Total energy: -92.904221 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.904221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.904221 (E_RNA)
where:
Base-Base interactions energy: -35.421
where: short stacking energy: -19.264
Base-Backbone interact. energy: -0.269
local terms energy: -57.214069
where:
bonds (distance) C4'-P energy: -15.453
bonds (distance) P-C4' energy: -16.805
flat angles C4'-P-C4' energy: -14.501
flat angles P-C4'-P energy: -13.270
tors. eta vs tors. theta energy: 2.815
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 465
Temperature: 1.350000
Total energy: -117.983897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -117.983897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -117.983897 (E_RNA)
where:
Base-Base interactions energy: -61.363
where: short stacking energy: -34.833
Base-Backbone interact. energy: -2.047
local terms energy: -54.573790
where:
bonds (distance) C4'-P energy: -14.943
bonds (distance) P-C4' energy: -15.846
flat angles C4'-P-C4' energy: -16.029
flat angles P-C4'-P energy: -8.450
tors. eta vs tors. theta energy: 0.694
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 466
Temperature: 0.900000
Total energy: -284.177297 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.177297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.177297 (E_RNA)
where:
Base-Base interactions energy: -189.695
where: short stacking energy: -78.816
Base-Backbone interact. energy: -0.068
local terms energy: -94.413876
where:
bonds (distance) C4'-P energy: -16.797
bonds (distance) P-C4' energy: -19.001
flat angles C4'-P-C4' energy: -17.745
flat angles P-C4'-P energy: -15.348
tors. eta vs tors. theta energy: -25.523
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 466
Temperature: 0.950000
Total energy: -286.258635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.258635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.258635 (E_RNA)
where:
Base-Base interactions energy: -203.340
where: short stacking energy: -83.013
Base-Backbone interact. energy: -0.262
local terms energy: -82.657311
where:
bonds (distance) C4'-P energy: -17.422
bonds (distance) P-C4' energy: -14.665
flat angles C4'-P-C4' energy: -17.304
flat angles P-C4'-P energy: -14.202
tors. eta vs tors. theta energy: -19.064
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: 10
=====================================
Write number: 466
Temperature: 1.000000
Total energy: -277.783164 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.783164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.783164 (E_RNA)
where:
Base-Base interactions energy: -197.361
where: short stacking energy: -78.230
Base-Backbone interact. energy: -0.651
local terms energy: -79.771467
where:
bonds (distance) C4'-P energy: -12.954
bonds (distance) P-C4' energy: -15.200
flat angles C4'-P-C4' energy: -18.648
flat angles P-C4'-P energy: -11.414
tors. eta vs tors. theta energy: -21.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 466
Temperature: 1.050000
Total energy: -273.579664 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.579664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.579664 (E_RNA)
where:
Base-Base interactions energy: -182.121
where: short stacking energy: -77.305
Base-Backbone interact. energy: -1.322
local terms energy: -90.135945
where:
bonds (distance) C4'-P energy: -17.043
bonds (distance) P-C4' energy: -18.006
flat angles C4'-P-C4' energy: -20.426
flat angles P-C4'-P energy: -11.544
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: 5, replica: 4
=====================================
Write number: 466
Temperature: 1.100000
Total energy: -266.038876 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.038876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.038876 (E_RNA)
where:
Base-Base interactions energy: -182.459
where: short stacking energy: -73.318
Base-Backbone interact. energy: -0.633
local terms energy: -82.947533
where:
bonds (distance) C4'-P energy: -17.116
bonds (distance) P-C4' energy: -16.270
flat angles C4'-P-C4' energy: -17.471
flat angles P-C4'-P energy: -11.364
tors. eta vs tors. theta energy: -20.727
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 466
Temperature: 1.150000
Total energy: -199.202447 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -199.202447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -199.202447 (E_RNA)
where:
Base-Base interactions energy: -132.089
where: short stacking energy: -46.644
Base-Backbone interact. energy: -0.302
local terms energy: -66.811223
where:
bonds (distance) C4'-P energy: -17.090
bonds (distance) P-C4' energy: -9.620
flat angles C4'-P-C4' energy: -21.470
flat angles P-C4'-P energy: -8.788
tors. eta vs tors. theta energy: -9.843
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 3
=====================================
Write number: 466
Temperature: 1.200000
Total energy: -256.314862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.314862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.314862 (E_RNA)
where:
Base-Base interactions energy: -171.737
where: short stacking energy: -76.393
Base-Backbone interact. energy: -0.088
local terms energy: -84.489903
where:
bonds (distance) C4'-P energy: -16.486
bonds (distance) P-C4' energy: -17.140
flat angles C4'-P-C4' energy: -12.321
flat angles P-C4'-P energy: -13.256
tors. eta vs tors. theta energy: -25.288
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 466
Temperature: 1.250000
Total energy: -98.658943 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.658943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.658943 (E_RNA)
where:
Base-Base interactions energy: -40.539
where: short stacking energy: -33.490
Base-Backbone interact. energy: -0.132
local terms energy: -57.987459
where:
bonds (distance) C4'-P energy: -16.623
bonds (distance) P-C4' energy: -17.520
flat angles C4'-P-C4' energy: -6.796
flat angles P-C4'-P energy: -13.515
tors. eta vs tors. theta energy: -3.534
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 466
Temperature: 1.300000
Total energy: -128.539978 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -128.539978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -128.539978 (E_RNA)
where:
Base-Base interactions energy: -66.492
where: short stacking energy: -34.810
Base-Backbone interact. energy: -0.227
local terms energy: -61.821397
where:
bonds (distance) C4'-P energy: -18.949
bonds (distance) P-C4' energy: -16.238
flat angles C4'-P-C4' energy: -13.908
flat angles P-C4'-P energy: -6.262
tors. eta vs tors. theta energy: -6.465
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 466
Temperature: 1.350000
Total energy: -89.253625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.253625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.253625 (E_RNA)
where:
Base-Base interactions energy: -44.194
where: short stacking energy: -35.422
Base-Backbone interact. energy: 1.155
local terms energy: -46.214250
where:
bonds (distance) C4'-P energy: -9.725
bonds (distance) P-C4' energy: -18.079
flat angles C4'-P-C4' energy: -14.106
flat angles P-C4'-P energy: -2.215
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: 1, replica: 7
=====================================
Write number: 467
Temperature: 0.900000
Total energy: -294.591479 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -294.591479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -294.591479 (E_RNA)
where:
Base-Base interactions energy: -197.197
where: short stacking energy: -74.903
Base-Backbone interact. energy: -0.305
local terms energy: -97.090180
where:
bonds (distance) C4'-P energy: -20.536
bonds (distance) P-C4' energy: -15.936
flat angles C4'-P-C4' energy: -18.200
flat angles P-C4'-P energy: -15.178
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: 10
=====================================
Write number: 467
Temperature: 0.950000
Total energy: -281.761233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.761233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.761233 (E_RNA)
where:
Base-Base interactions energy: -181.167
where: short stacking energy: -79.801
Base-Backbone interact. energy: 0.210
local terms energy: -100.804595
where:
bonds (distance) C4'-P energy: -19.508
bonds (distance) P-C4' energy: -19.698
flat angles C4'-P-C4' energy: -21.188
flat angles P-C4'-P energy: -13.334
tors. eta vs tors. theta energy: -27.076
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: 3, replica: 5
=====================================
Write number: 467
Temperature: 1.000000
Total energy: -287.451251 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.451251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.451251 (E_RNA)
where:
Base-Base interactions energy: -201.617
where: short stacking energy: -82.812
Base-Backbone interact. energy: -0.262
local terms energy: -85.572730
where:
bonds (distance) C4'-P energy: -17.476
bonds (distance) P-C4' energy: -17.832
flat angles C4'-P-C4' energy: -17.324
flat angles P-C4'-P energy: -13.976
tors. eta vs tors. theta energy: -18.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 467
Temperature: 1.050000
Total energy: -280.362510 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.362510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.362510 (E_RNA)
where:
Base-Base interactions energy: -195.138
where: short stacking energy: -79.569
Base-Backbone interact. energy: -1.034
local terms energy: -84.191040
where:
bonds (distance) C4'-P energy: -14.186
bonds (distance) P-C4' energy: -17.484
flat angles C4'-P-C4' energy: -15.194
flat angles P-C4'-P energy: -13.272
tors. eta vs tors. theta energy: -24.055
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 467
Temperature: 1.100000
Total energy: -261.170779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.170779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.170779 (E_RNA)
where:
Base-Base interactions energy: -178.211
where: short stacking energy: -72.549
Base-Backbone interact. energy: -0.504
local terms energy: -82.456573
where:
bonds (distance) C4'-P energy: -12.340
bonds (distance) P-C4' energy: -19.013
flat angles C4'-P-C4' energy: -17.484
flat angles P-C4'-P energy: -10.432
tors. eta vs tors. theta energy: -23.188
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 467
Temperature: 1.150000
Total energy: -254.030695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.030695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.030695 (E_RNA)
where:
Base-Base interactions energy: -167.541
where: short stacking energy: -70.143
Base-Backbone interact. energy: -0.047
local terms energy: -86.442382
where:
bonds (distance) C4'-P energy: -20.340
bonds (distance) P-C4' energy: -16.904
flat angles C4'-P-C4' energy: -16.625
flat angles P-C4'-P energy: -13.380
tors. eta vs tors. theta energy: -19.193
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: 1
=====================================
Write number: 467
Temperature: 1.200000
Total energy: -191.797162 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -191.797162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -191.797162 (E_RNA)
where:
Base-Base interactions energy: -130.964
where: short stacking energy: -58.987
Base-Backbone interact. energy: -0.207
local terms energy: -60.626652
where:
bonds (distance) C4'-P energy: -9.883
bonds (distance) P-C4' energy: -18.689
flat angles C4'-P-C4' energy: -16.249
flat angles P-C4'-P energy: -6.562
tors. eta vs tors. theta energy: -9.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 467
Temperature: 1.250000
Total energy: -95.920019 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.920019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.920019 (E_RNA)
where:
Base-Base interactions energy: -42.827
where: short stacking energy: -38.551
Base-Backbone interact. energy: -0.868
local terms energy: -52.224609
where:
bonds (distance) C4'-P energy: -11.357
bonds (distance) P-C4' energy: -16.836
flat angles C4'-P-C4' energy: -14.082
flat angles P-C4'-P energy: -5.790
tors. eta vs tors. theta energy: -4.160
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 467
Temperature: 1.300000
Total energy: -107.155926 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.155926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.155926 (E_RNA)
where:
Base-Base interactions energy: -35.722
where: short stacking energy: -31.540
Base-Backbone interact. energy: -0.182
local terms energy: -71.252005
where:
bonds (distance) C4'-P energy: -16.169
bonds (distance) P-C4' energy: -20.250
flat angles C4'-P-C4' energy: -19.373
flat angles P-C4'-P energy: -13.669
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: 10, replica: 8
=====================================
Write number: 467
Temperature: 1.350000
Total energy: -106.095862 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -106.095862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -106.095862 (E_RNA)
where:
Base-Base interactions energy: -54.747
where: short stacking energy: -33.529
Base-Backbone interact. energy: -0.535
local terms energy: -50.813694
where:
bonds (distance) C4'-P energy: -17.711
bonds (distance) P-C4' energy: -17.336
flat angles C4'-P-C4' energy: -7.529
flat angles P-C4'-P energy: -4.241
tors. eta vs tors. theta energy: -3.997
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 468
Temperature: 0.900000
Total energy: -284.118017 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.118017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.118017 (E_RNA)
where:
Base-Base interactions energy: -189.411
where: short stacking energy: -77.385
Base-Backbone interact. energy: -1.377
local terms energy: -93.329529
where:
bonds (distance) C4'-P energy: -19.045
bonds (distance) P-C4' energy: -18.604
flat angles C4'-P-C4' energy: -19.702
flat angles P-C4'-P energy: -13.056
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: 2, replica: 10
=====================================
Write number: 468
Temperature: 0.950000
Total energy: -292.327219 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -292.327219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -292.327219 (E_RNA)
where:
Base-Base interactions energy: -193.407
where: short stacking energy: -83.535
Base-Backbone interact. energy: -0.782
local terms energy: -98.138562
where:
bonds (distance) C4'-P energy: -19.782
bonds (distance) P-C4' energy: -18.372
flat angles C4'-P-C4' energy: -19.677
flat angles P-C4'-P energy: -14.930
tors. eta vs tors. theta energy: -25.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 468
Temperature: 1.000000
Total energy: -283.082671 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.082671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.082671 (E_RNA)
where:
Base-Base interactions energy: -197.841
where: short stacking energy: -80.829
Base-Backbone interact. energy: -0.042
local terms energy: -85.199672
where:
bonds (distance) C4'-P energy: -13.613
bonds (distance) P-C4' energy: -14.436
flat angles C4'-P-C4' energy: -18.428
flat angles P-C4'-P energy: -14.205
tors. eta vs tors. theta energy: -24.519
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: 5
=====================================
Write number: 468
Temperature: 1.050000
Total energy: -273.795784 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.795784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.795784 (E_RNA)
where:
Base-Base interactions energy: -187.815
where: short stacking energy: -76.158
Base-Backbone interact. energy: -0.006
local terms energy: -85.974356
where:
bonds (distance) C4'-P energy: -14.395
bonds (distance) P-C4' energy: -15.058
flat angles C4'-P-C4' energy: -21.308
flat angles P-C4'-P energy: -13.949
tors. eta vs tors. theta energy: -21.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 468
Temperature: 1.100000
Total energy: -278.364852 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.364852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.364852 (E_RNA)
where:
Base-Base interactions energy: -185.023
where: short stacking energy: -70.216
Base-Backbone interact. energy: -0.001
local terms energy: -93.341165
where:
bonds (distance) C4'-P energy: -17.521
bonds (distance) P-C4' energy: -19.312
flat angles C4'-P-C4' energy: -18.287
flat angles P-C4'-P energy: -15.531
tors. eta vs tors. theta energy: -22.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 468
Temperature: 1.150000
Total energy: -248.995503 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -248.995503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -248.995503 (E_RNA)
where:
Base-Base interactions energy: -169.357
where: short stacking energy: -69.890
Base-Backbone interact. energy: -0.176
local terms energy: -79.462725
where:
bonds (distance) C4'-P energy: -14.637
bonds (distance) P-C4' energy: -19.392
flat angles C4'-P-C4' energy: -10.402
flat angles P-C4'-P energy: -13.420
tors. eta vs tors. theta energy: -21.612
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 468
Temperature: 1.200000
Total energy: -192.558745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -192.558745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -192.558745 (E_RNA)
where:
Base-Base interactions energy: -119.078
where: short stacking energy: -56.886
Base-Backbone interact. energy: -0.175
local terms energy: -73.305819
where:
bonds (distance) C4'-P energy: -15.621
bonds (distance) P-C4' energy: -17.321
flat angles C4'-P-C4' energy: -12.448
flat angles P-C4'-P energy: -13.292
tors. eta vs tors. theta energy: -14.624
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 468
Temperature: 1.250000
Total energy: -97.296386 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.296386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.296386 (E_RNA)
where:
Base-Base interactions energy: -36.644
where: short stacking energy: -35.735
Base-Backbone interact. energy: 0.411
local terms energy: -61.063146
where:
bonds (distance) C4'-P energy: -19.106
bonds (distance) P-C4' energy: -16.142
flat angles C4'-P-C4' energy: -10.905
flat angles P-C4'-P energy: -10.164
tors. eta vs tors. theta energy: -4.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 468
Temperature: 1.300000
Total energy: -88.797809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.797809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.797809 (E_RNA)
where:
Base-Base interactions energy: -40.597
where: short stacking energy: -33.938
Base-Backbone interact. energy: -0.396
local terms energy: -47.804836
where:
bonds (distance) C4'-P energy: -14.740
bonds (distance) P-C4' energy: -12.361
flat angles C4'-P-C4' energy: -12.295
flat angles P-C4'-P energy: -9.693
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: 2
=====================================
Write number: 468
Temperature: 1.350000
Total energy: -86.193286 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.193286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.193286 (E_RNA)
where:
Base-Base interactions energy: -29.637
where: short stacking energy: -29.637
Base-Backbone interact. energy: 0.468
local terms energy: -57.024736
where:
bonds (distance) C4'-P energy: -15.920
bonds (distance) P-C4' energy: -14.520
flat angles C4'-P-C4' energy: -13.057
flat angles P-C4'-P energy: -14.068
tors. eta vs tors. theta energy: 0.540
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 469
Temperature: 0.900000
Total energy: -296.220405 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -296.220405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -296.220405 (E_RNA)
where:
Base-Base interactions energy: -201.899
where: short stacking energy: -77.936
Base-Backbone interact. energy: -0.308
local terms energy: -94.012886
where:
bonds (distance) C4'-P energy: -20.156
bonds (distance) P-C4' energy: -17.583
flat angles C4'-P-C4' energy: -17.312
flat angles P-C4'-P energy: -10.537
tors. eta vs tors. theta energy: -28.426
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 469
Temperature: 0.950000
Total energy: -285.810946 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.810946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.810946 (E_RNA)
where:
Base-Base interactions energy: -197.313
where: short stacking energy: -75.149
Base-Backbone interact. energy: -0.583
local terms energy: -87.914176
where:
bonds (distance) C4'-P energy: -16.647
bonds (distance) P-C4' energy: -16.618
flat angles C4'-P-C4' energy: -16.768
flat angles P-C4'-P energy: -15.663
tors. eta vs tors. theta energy: -22.218
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 469
Temperature: 1.000000
Total energy: -282.478059 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.478059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.478059 (E_RNA)
where:
Base-Base interactions energy: -192.494
where: short stacking energy: -82.800
Base-Backbone interact. energy: -0.607
local terms energy: -89.377208
where:
bonds (distance) C4'-P energy: -15.750
bonds (distance) P-C4' energy: -13.653
flat angles C4'-P-C4' energy: -19.562
flat angles P-C4'-P energy: -15.258
tors. eta vs tors. theta energy: -25.154
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 469
Temperature: 1.050000
Total energy: -270.543108 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.543108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.543108 (E_RNA)
where:
Base-Base interactions energy: -185.460
where: short stacking energy: -72.972
Base-Backbone interact. energy: -0.111
local terms energy: -84.972395
where:
bonds (distance) C4'-P energy: -15.910
bonds (distance) P-C4' energy: -15.021
flat angles C4'-P-C4' energy: -19.031
flat angles P-C4'-P energy: -14.253
tors. eta vs tors. theta energy: -20.758
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 469
Temperature: 1.100000
Total energy: -256.714809 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.714809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.714809 (E_RNA)
where:
Base-Base interactions energy: -165.704
where: short stacking energy: -74.120
Base-Backbone interact. energy: 0.142
local terms energy: -91.152301
where:
bonds (distance) C4'-P energy: -16.611
bonds (distance) P-C4' energy: -19.058
flat angles C4'-P-C4' energy: -18.261
flat angles P-C4'-P energy: -13.752
tors. eta vs tors. theta energy: -23.471
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 469
Temperature: 1.150000
Total energy: -249.874147 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -249.874147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -249.874147 (E_RNA)
where:
Base-Base interactions energy: -171.724
where: short stacking energy: -75.798
Base-Backbone interact. energy: -0.038
local terms energy: -78.112541
where:
bonds (distance) C4'-P energy: -10.809
bonds (distance) P-C4' energy: -12.990
flat angles C4'-P-C4' energy: -17.557
flat angles P-C4'-P energy: -14.958
tors. eta vs tors. theta energy: -21.798
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 469
Temperature: 1.200000
Total energy: -210.880906 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.880906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.880906 (E_RNA)
where:
Base-Base interactions energy: -138.584
where: short stacking energy: -59.912
Base-Backbone interact. energy: 0.243
local terms energy: -72.539600
where:
bonds (distance) C4'-P energy: -16.478
bonds (distance) P-C4' energy: -11.358
flat angles C4'-P-C4' energy: -17.396
flat angles P-C4'-P energy: -12.956
tors. eta vs tors. theta energy: -14.353
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 469
Temperature: 1.250000
Total energy: -98.950782 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.950782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.950782 (E_RNA)
where:
Base-Base interactions energy: -42.912
where: short stacking energy: -28.352
Base-Backbone interact. energy: -0.026
local terms energy: -56.012969
where:
bonds (distance) C4'-P energy: -16.002
bonds (distance) P-C4' energy: -19.263
flat angles C4'-P-C4' energy: -11.355
flat angles P-C4'-P energy: -10.163
tors. eta vs tors. theta energy: 0.770
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 469
Temperature: 1.300000
Total energy: -98.502206 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -98.502206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -98.502206 (E_RNA)
where:
Base-Base interactions energy: -48.419
where: short stacking energy: -31.854
Base-Backbone interact. energy: -0.944
local terms energy: -49.139607
where:
bonds (distance) C4'-P energy: -15.588
bonds (distance) P-C4' energy: -8.440
flat angles C4'-P-C4' energy: -15.377
flat angles P-C4'-P energy: -8.345
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: 2
=====================================
Write number: 469
Temperature: 1.350000
Total energy: -86.032683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.032683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.032683 (E_RNA)
where:
Base-Base interactions energy: -34.198
where: short stacking energy: -30.466
Base-Backbone interact. energy: 3.530
local terms energy: -55.365122
where:
bonds (distance) C4'-P energy: -13.336
bonds (distance) P-C4' energy: -13.071
flat angles C4'-P-C4' energy: -12.252
flat angles P-C4'-P energy: -10.397
tors. eta vs tors. theta energy: -6.310
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 470
Temperature: 0.900000
Total energy: -287.890079 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.890079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.890079 (E_RNA)
where:
Base-Base interactions energy: -196.300
where: short stacking energy: -74.839
Base-Backbone interact. energy: -0.430
local terms energy: -91.159421
where:
bonds (distance) C4'-P energy: -17.571
bonds (distance) P-C4' energy: -16.117
flat angles C4'-P-C4' energy: -20.797
flat angles P-C4'-P energy: -12.600
tors. eta vs tors. theta energy: -24.074
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 470
Temperature: 0.950000
Total energy: -278.693777 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.693777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.693777 (E_RNA)
where:
Base-Base interactions energy: -200.922
where: short stacking energy: -74.247
Base-Backbone interact. energy: -0.271
local terms energy: -77.500702
where:
bonds (distance) C4'-P energy: -18.001
bonds (distance) P-C4' energy: -6.157
flat angles C4'-P-C4' energy: -17.939
flat angles P-C4'-P energy: -13.054
tors. eta vs tors. theta energy: -22.350
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 470
Temperature: 1.000000
Total energy: -280.541025 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.541025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.541025 (E_RNA)
where:
Base-Base interactions energy: -186.361
where: short stacking energy: -75.998
Base-Backbone interact. energy: -0.601
local terms energy: -93.578987
where:
bonds (distance) C4'-P energy: -16.986
bonds (distance) P-C4' energy: -15.888
flat angles C4'-P-C4' energy: -20.419
flat angles P-C4'-P energy: -15.468
tors. eta vs tors. theta energy: -24.817
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 470
Temperature: 1.050000
Total energy: -273.578464 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.578464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.578464 (E_RNA)
where:
Base-Base interactions energy: -184.840
where: short stacking energy: -77.515
Base-Backbone interact. energy: -0.048
local terms energy: -88.691105
where:
bonds (distance) C4'-P energy: -15.306
bonds (distance) P-C4' energy: -19.582
flat angles C4'-P-C4' energy: -16.407
flat angles P-C4'-P energy: -10.077
tors. eta vs tors. theta energy: -27.320
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 470
Temperature: 1.100000
Total energy: -262.804149 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.804149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.804149 (E_RNA)
where:
Base-Base interactions energy: -181.375
where: short stacking energy: -77.953
Base-Backbone interact. energy: -0.027
local terms energy: -81.401653
where:
bonds (distance) C4'-P energy: -9.539
bonds (distance) P-C4' energy: -19.207
flat angles C4'-P-C4' energy: -19.185
flat angles P-C4'-P energy: -12.781
tors. eta vs tors. theta energy: -20.690
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 470
Temperature: 1.150000
Total energy: -245.297836 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.297836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.297836 (E_RNA)
where:
Base-Base interactions energy: -165.736
where: short stacking energy: -62.901
Base-Backbone interact. energy: -0.102
local terms energy: -79.459416
where:
bonds (distance) C4'-P energy: -13.281
bonds (distance) P-C4' energy: -19.926
flat angles C4'-P-C4' energy: -17.285
flat angles P-C4'-P energy: -9.426
tors. eta vs tors. theta energy: -19.543
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 470
Temperature: 1.200000
Total energy: -183.166455 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -183.166455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -183.166455 (E_RNA)
where:
Base-Base interactions energy: -111.425
where: short stacking energy: -48.837
Base-Backbone interact. energy: -0.097
local terms energy: -71.643723
where:
bonds (distance) C4'-P energy: -16.636
bonds (distance) P-C4' energy: -17.275
flat angles C4'-P-C4' energy: -18.566
flat angles P-C4'-P energy: -10.258
tors. eta vs tors. theta energy: -8.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 470
Temperature: 1.250000
Total energy: -97.206191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.206191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.206191 (E_RNA)
where:
Base-Base interactions energy: -42.483
where: short stacking energy: -32.668
Base-Backbone interact. energy: -1.197
local terms energy: -53.526204
where:
bonds (distance) C4'-P energy: -12.430
bonds (distance) P-C4' energy: -17.532
flat angles C4'-P-C4' energy: -13.532
flat angles P-C4'-P energy: -4.763
tors. eta vs tors. theta energy: -5.270
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 470
Temperature: 1.300000
Total energy: -85.675030 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.675030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.675030 (E_RNA)
where:
Base-Base interactions energy: -27.281
where: short stacking energy: -22.078
Base-Backbone interact. energy: 0.787
local terms energy: -59.180622
where:
bonds (distance) C4'-P energy: -12.781
bonds (distance) P-C4' energy: -20.218
flat angles C4'-P-C4' energy: -14.078
flat angles P-C4'-P energy: -11.839
tors. eta vs tors. theta energy: -0.265
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 470
Temperature: 1.350000
Total energy: -91.137021 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.137021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.137021 (E_RNA)
where:
Base-Base interactions energy: -41.126
where: short stacking energy: -29.709
Base-Backbone interact. energy: 1.000
local terms energy: -51.011434
where:
bonds (distance) C4'-P energy: -7.642
bonds (distance) P-C4' energy: -16.547
flat angles C4'-P-C4' energy: -17.685
flat angles P-C4'-P energy: -8.471
tors. eta vs tors. theta energy: -0.666
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 471
Temperature: 0.900000
Total energy: -286.551359 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.551359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.551359 (E_RNA)
where:
Base-Base interactions energy: -200.012
where: short stacking energy: -75.995
Base-Backbone interact. energy: -0.443
local terms energy: -86.096229
where:
bonds (distance) C4'-P energy: -18.336
bonds (distance) P-C4' energy: -17.344
flat angles C4'-P-C4' energy: -18.325
flat angles P-C4'-P energy: -12.054
tors. eta vs tors. theta energy: -20.036
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 471
Temperature: 0.950000
Total energy: -282.675921 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.675921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.675921 (E_RNA)
where:
Base-Base interactions energy: -188.631
where: short stacking energy: -77.803
Base-Backbone interact. energy: -0.828
local terms energy: -93.216759
where:
bonds (distance) C4'-P energy: -11.415
bonds (distance) P-C4' energy: -18.938
flat angles C4'-P-C4' energy: -22.578
flat angles P-C4'-P energy: -15.012
tors. eta vs tors. theta energy: -25.274
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 471
Temperature: 1.000000
Total energy: -272.845628 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.845628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.845628 (E_RNA)
where:
Base-Base interactions energy: -181.951
where: short stacking energy: -72.139
Base-Backbone interact. energy: -0.713
local terms energy: -90.182077
where:
bonds (distance) C4'-P energy: -17.679
bonds (distance) P-C4' energy: -19.232
flat angles C4'-P-C4' energy: -17.113
flat angles P-C4'-P energy: -12.696
tors. eta vs tors. theta energy: -23.462
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 471
Temperature: 1.050000
Total energy: -276.759489 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.759489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.759489 (E_RNA)
where:
Base-Base interactions energy: -176.644
where: short stacking energy: -75.596
Base-Backbone interact. energy: -1.289
local terms energy: -98.826522
where:
bonds (distance) C4'-P energy: -19.819
bonds (distance) P-C4' energy: -17.488
flat angles C4'-P-C4' energy: -20.150
flat angles P-C4'-P energy: -16.291
tors. eta vs tors. theta energy: -25.079
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: 10
=====================================
Write number: 471
Temperature: 1.100000
Total energy: -268.197915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.197915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.197915 (E_RNA)
where:
Base-Base interactions energy: -194.155
where: short stacking energy: -72.838
Base-Backbone interact. energy: -0.003
local terms energy: -74.039879
where:
bonds (distance) C4'-P energy: -6.107
bonds (distance) P-C4' energy: -16.692
flat angles C4'-P-C4' energy: -15.933
flat angles P-C4'-P energy: -10.026
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: 6, replica: 3
=====================================
Write number: 471
Temperature: 1.150000
Total energy: -220.626523 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -220.626523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -220.626523 (E_RNA)
where:
Base-Base interactions energy: -139.982
where: short stacking energy: -72.077
Base-Backbone interact. energy: -0.977
local terms energy: -79.667787
where:
bonds (distance) C4'-P energy: -14.325
bonds (distance) P-C4' energy: -20.707
flat angles C4'-P-C4' energy: -17.116
flat angles P-C4'-P energy: -10.026
tors. eta vs tors. theta energy: -17.493
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 471
Temperature: 1.200000
Total energy: -182.709335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -182.709335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -182.709335 (E_RNA)
where:
Base-Base interactions energy: -119.300
where: short stacking energy: -45.213
Base-Backbone interact. energy: 1.132
local terms energy: -64.541517
where:
bonds (distance) C4'-P energy: -16.114
bonds (distance) P-C4' energy: -17.273
flat angles C4'-P-C4' energy: -13.931
flat angles P-C4'-P energy: -6.531
tors. eta vs tors. theta energy: -10.692
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 471
Temperature: 1.250000
Total energy: -92.403364 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.403364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.403364 (E_RNA)
where:
Base-Base interactions energy: -34.203
where: short stacking energy: -29.503
Base-Backbone interact. energy: 1.115
local terms energy: -59.315756
where:
bonds (distance) C4'-P energy: -16.370
bonds (distance) P-C4' energy: -15.913
flat angles C4'-P-C4' energy: -12.857
flat angles P-C4'-P energy: -5.444
tors. eta vs tors. theta energy: -8.732
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 471
Temperature: 1.300000
Total energy: -85.884654 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.884654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.884654 (E_RNA)
where:
Base-Base interactions energy: -43.404
where: short stacking energy: -25.738
Base-Backbone interact. energy: -0.118
local terms energy: -42.362205
where:
bonds (distance) C4'-P energy: -9.315
bonds (distance) P-C4' energy: -15.836
flat angles C4'-P-C4' energy: -15.918
flat angles P-C4'-P energy: -2.590
tors. eta vs tors. theta energy: 1.296
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 471
Temperature: 1.350000
Total energy: -81.866986 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.866986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.866986 (E_RNA)
where:
Base-Base interactions energy: -31.064
where: short stacking energy: -15.341
Base-Backbone interact. energy: -0.456
local terms energy: -50.346686
where:
bonds (distance) C4'-P energy: -11.029
bonds (distance) P-C4' energy: -15.333
flat angles C4'-P-C4' energy: -10.993
flat angles P-C4'-P energy: -8.257
tors. eta vs tors. theta energy: -4.734
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 472
Temperature: 0.900000
Total energy: -288.490056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.490056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.490056 (E_RNA)
where:
Base-Base interactions energy: -197.054
where: short stacking energy: -82.325
Base-Backbone interact. energy: -0.594
local terms energy: -90.842528
where:
bonds (distance) C4'-P energy: -15.518
bonds (distance) P-C4' energy: -19.796
flat angles C4'-P-C4' energy: -16.426
flat angles P-C4'-P energy: -14.508
tors. eta vs tors. theta energy: -24.594
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: 7
=====================================
Write number: 472
Temperature: 0.950000
Total energy: -290.494483 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.494483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.494483 (E_RNA)
where:
Base-Base interactions energy: -198.228
where: short stacking energy: -84.070
Base-Backbone interact. energy: -1.436
local terms energy: -90.830683
where:
bonds (distance) C4'-P energy: -16.217
bonds (distance) P-C4' energy: -13.851
flat angles C4'-P-C4' energy: -19.494
flat angles P-C4'-P energy: -13.962
tors. eta vs tors. theta energy: -27.306
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 472
Temperature: 1.000000
Total energy: -286.665626 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.665626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.665626 (E_RNA)
where:
Base-Base interactions energy: -193.127
where: short stacking energy: -75.386
Base-Backbone interact. energy: -1.013
local terms energy: -92.525362
where:
bonds (distance) C4'-P energy: -17.787
bonds (distance) P-C4' energy: -16.715
flat angles C4'-P-C4' energy: -18.981
flat angles P-C4'-P energy: -13.153
tors. eta vs tors. theta energy: -25.889
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: 5
=====================================
Write number: 472
Temperature: 1.050000
Total energy: -277.015680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.015680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.015680 (E_RNA)
where:
Base-Base interactions energy: -182.189
where: short stacking energy: -69.620
Base-Backbone interact. energy: -1.703
local terms energy: -93.123231
where:
bonds (distance) C4'-P energy: -16.787
bonds (distance) P-C4' energy: -16.523
flat angles C4'-P-C4' energy: -17.483
flat angles P-C4'-P energy: -16.804
tors. eta vs tors. theta energy: -25.527
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 472
Temperature: 1.100000
Total energy: -269.820915 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.820915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.820915 (E_RNA)
where:
Base-Base interactions energy: -186.793
where: short stacking energy: -73.183
Base-Backbone interact. energy: -0.277
local terms energy: -82.750919
where:
bonds (distance) C4'-P energy: -17.785
bonds (distance) P-C4' energy: -21.278
flat angles C4'-P-C4' energy: -10.680
flat angles P-C4'-P energy: -15.130
tors. eta vs tors. theta energy: -17.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 472
Temperature: 1.150000
Total energy: -262.636258 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.636258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.636258 (E_RNA)
where:
Base-Base interactions energy: -178.602
where: short stacking energy: -70.823
Base-Backbone interact. energy: -0.149
local terms energy: -83.885259
where:
bonds (distance) C4'-P energy: -18.159
bonds (distance) P-C4' energy: -14.937
flat angles C4'-P-C4' energy: -18.913
flat angles P-C4'-P energy: -9.773
tors. eta vs tors. theta energy: -22.103
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 472
Temperature: 1.200000
Total energy: -186.671851 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -186.671851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -186.671851 (E_RNA)
where:
Base-Base interactions energy: -117.618
where: short stacking energy: -49.249
Base-Backbone interact. energy: -0.308
local terms energy: -68.746420
where:
bonds (distance) C4'-P energy: -14.076
bonds (distance) P-C4' energy: -16.977
flat angles C4'-P-C4' energy: -17.039
flat angles P-C4'-P energy: -4.335
tors. eta vs tors. theta energy: -16.319
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 472
Temperature: 1.250000
Total energy: -99.014202 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.014202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.014202 (E_RNA)
where:
Base-Base interactions energy: -35.287
where: short stacking energy: -27.857
Base-Backbone interact. energy: -0.116
local terms energy: -63.611146
where:
bonds (distance) C4'-P energy: -16.430
bonds (distance) P-C4' energy: -20.190
flat angles C4'-P-C4' energy: -13.479
flat angles P-C4'-P energy: -8.538
tors. eta vs tors. theta energy: -4.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 472
Temperature: 1.300000
Total energy: -82.326609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.326609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.326609 (E_RNA)
where:
Base-Base interactions energy: -29.931
where: short stacking energy: -26.337
Base-Backbone interact. energy: 0.838
local terms energy: -53.233271
where:
bonds (distance) C4'-P energy: -13.804
bonds (distance) P-C4' energy: -18.847
flat angles C4'-P-C4' energy: -5.730
flat angles P-C4'-P energy: -12.944
tors. eta vs tors. theta energy: -1.909
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 472
Temperature: 1.350000
Total energy: -88.100801 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.100801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.100801 (E_RNA)
where:
Base-Base interactions energy: -31.989
where: short stacking energy: -20.208
Base-Backbone interact. energy: -0.199
local terms energy: -55.912903
where:
bonds (distance) C4'-P energy: -21.045
bonds (distance) P-C4' energy: -15.835
flat angles C4'-P-C4' energy: -17.207
flat angles P-C4'-P energy: -4.592
tors. eta vs tors. theta energy: 2.767
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 473
Temperature: 0.900000
Total energy: -288.337346 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.337346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.337346 (E_RNA)
where:
Base-Base interactions energy: -192.741
where: short stacking energy: -78.322
Base-Backbone interact. energy: -1.592
local terms energy: -94.003883
where:
bonds (distance) C4'-P energy: -18.313
bonds (distance) P-C4' energy: -19.721
flat angles C4'-P-C4' energy: -18.087
flat angles P-C4'-P energy: -13.865
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: 2, replica: 6
=====================================
Write number: 473
Temperature: 0.950000
Total energy: -286.696683 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.696683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.696683 (E_RNA)
where:
Base-Base interactions energy: -191.089
where: short stacking energy: -80.228
Base-Backbone interact. energy: -0.000
local terms energy: -95.607658
where:
bonds (distance) C4'-P energy: -19.335
bonds (distance) P-C4' energy: -20.250
flat angles C4'-P-C4' energy: -20.542
flat angles P-C4'-P energy: -12.436
tors. eta vs tors. theta energy: -23.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 473
Temperature: 1.000000
Total energy: -276.183518 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.183518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.183518 (E_RNA)
where:
Base-Base interactions energy: -186.509
where: short stacking energy: -73.608
Base-Backbone interact. energy: -1.001
local terms energy: -88.673326
where:
bonds (distance) C4'-P energy: -18.601
bonds (distance) P-C4' energy: -13.693
flat angles C4'-P-C4' energy: -19.566
flat angles P-C4'-P energy: -14.542
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: 5
=====================================
Write number: 473
Temperature: 1.050000
Total energy: -275.058636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.058636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.058636 (E_RNA)
where:
Base-Base interactions energy: -191.210
where: short stacking energy: -77.513
Base-Backbone interact. energy: -0.395
local terms energy: -83.453600
where:
bonds (distance) C4'-P energy: -15.923
bonds (distance) P-C4' energy: -16.670
flat angles C4'-P-C4' energy: -19.526
flat angles P-C4'-P energy: -11.545
tors. eta vs tors. theta energy: -19.789
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 473
Temperature: 1.100000
Total energy: -259.651639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.651639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.651639 (E_RNA)
where:
Base-Base interactions energy: -187.415
where: short stacking energy: -69.364
Base-Backbone interact. energy: -0.224
local terms energy: -72.012009
where:
bonds (distance) C4'-P energy: -15.818
bonds (distance) P-C4' energy: -13.590
flat angles C4'-P-C4' energy: -10.556
flat angles P-C4'-P energy: -10.296
tors. eta vs tors. theta energy: -21.752
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 3
=====================================
Write number: 473
Temperature: 1.150000
Total energy: -265.735893 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.735893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.735893 (E_RNA)
where:
Base-Base interactions energy: -184.874
where: short stacking energy: -73.884
Base-Backbone interact. energy: -0.671
local terms energy: -80.190294
where:
bonds (distance) C4'-P energy: -19.492
bonds (distance) P-C4' energy: -15.614
flat angles C4'-P-C4' energy: -13.760
flat angles P-C4'-P energy: -8.439
tors. eta vs tors. theta energy: -22.886
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 473
Temperature: 1.200000
Total energy: -172.439326 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -172.439326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -172.439326 (E_RNA)
where:
Base-Base interactions energy: -104.633
where: short stacking energy: -38.468
Base-Backbone interact. energy: -0.787
local terms energy: -67.019801
where:
bonds (distance) C4'-P energy: -17.659
bonds (distance) P-C4' energy: -14.866
flat angles C4'-P-C4' energy: -15.255
flat angles P-C4'-P energy: -8.167
tors. eta vs tors. theta energy: -11.073
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: 8, replica: 2
=====================================
Write number: 473
Temperature: 1.250000
Total energy: -93.714135 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.714135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.714135 (E_RNA)
where:
Base-Base interactions energy: -22.912
where: short stacking energy: -18.263
Base-Backbone interact. energy: 0.128
local terms energy: -70.929760
where:
bonds (distance) C4'-P energy: -19.277
bonds (distance) P-C4' energy: -14.549
flat angles C4'-P-C4' energy: -13.943
flat angles P-C4'-P energy: -16.445
tors. eta vs tors. theta energy: -6.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 473
Temperature: 1.300000
Total energy: -82.313695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.313695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.313695 (E_RNA)
where:
Base-Base interactions energy: -32.367
where: short stacking energy: -23.305
Base-Backbone interact. energy: -0.213
local terms energy: -49.734144
where:
bonds (distance) C4'-P energy: -13.448
bonds (distance) P-C4' energy: -16.371
flat angles C4'-P-C4' energy: -17.399
flat angles P-C4'-P energy: -12.081
tors. eta vs tors. theta energy: 9.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 473
Temperature: 1.350000
Total energy: -80.574279 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -80.574279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -80.574279 (E_RNA)
where:
Base-Base interactions energy: -22.510
where: short stacking energy: -17.635
Base-Backbone interact. energy: 0.806
local terms energy: -58.869941
where:
bonds (distance) C4'-P energy: -14.789
bonds (distance) P-C4' energy: -20.631
flat angles C4'-P-C4' energy: -16.845
flat angles P-C4'-P energy: -10.728
tors. eta vs tors. theta energy: 4.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 474
Temperature: 0.900000
Total energy: -285.353450 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.353450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.353450 (E_RNA)
where:
Base-Base interactions energy: -196.761
where: short stacking energy: -78.905
Base-Backbone interact. energy: -0.002
local terms energy: -88.590012
where:
bonds (distance) C4'-P energy: -17.728
bonds (distance) P-C4' energy: -20.336
flat angles C4'-P-C4' energy: -15.577
flat angles P-C4'-P energy: -9.154
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: 2, replica: 4
=====================================
Write number: 474
Temperature: 0.950000
Total energy: -288.508846 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.508846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.508846 (E_RNA)
where:
Base-Base interactions energy: -199.635
where: short stacking energy: -80.945
Base-Backbone interact. energy: -2.139
local terms energy: -86.735177
where:
bonds (distance) C4'-P energy: -18.830
bonds (distance) P-C4' energy: -16.330
flat angles C4'-P-C4' energy: -16.614
flat angles P-C4'-P energy: -12.535
tors. eta vs tors. theta energy: -22.427
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 474
Temperature: 1.000000
Total energy: -281.047356 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.047356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.047356 (E_RNA)
where:
Base-Base interactions energy: -191.539
where: short stacking energy: -80.151
Base-Backbone interact. energy: -0.083
local terms energy: -89.425344
where:
bonds (distance) C4'-P energy: -13.278
bonds (distance) P-C4' energy: -19.481
flat angles C4'-P-C4' energy: -15.487
flat angles P-C4'-P energy: -15.615
tors. eta vs tors. theta energy: -25.565
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 474
Temperature: 1.050000
Total energy: -275.043284 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.043284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.043284 (E_RNA)
where:
Base-Base interactions energy: -184.561
where: short stacking energy: -72.331
Base-Backbone interact. energy: -1.179
local terms energy: -89.303711
where:
bonds (distance) C4'-P energy: -15.349
bonds (distance) P-C4' energy: -20.302
flat angles C4'-P-C4' energy: -17.175
flat angles P-C4'-P energy: -12.587
tors. eta vs tors. theta energy: -23.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 474
Temperature: 1.100000
Total energy: -268.746490 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.746490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.746490 (E_RNA)
where:
Base-Base interactions energy: -182.154
where: short stacking energy: -74.159
Base-Backbone interact. energy: -0.915
local terms energy: -85.676840
where:
bonds (distance) C4'-P energy: -15.930
bonds (distance) P-C4' energy: -18.689
flat angles C4'-P-C4' energy: -18.011
flat angles P-C4'-P energy: -6.848
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: 6, replica: 10
=====================================
Write number: 474
Temperature: 1.150000
Total energy: -262.809795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.809795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.809795 (E_RNA)
where:
Base-Base interactions energy: -178.875
where: short stacking energy: -79.387
Base-Backbone interact. energy: -0.007
local terms energy: -83.927722
where:
bonds (distance) C4'-P energy: -16.340
bonds (distance) P-C4' energy: -13.465
flat angles C4'-P-C4' energy: -15.563
flat angles P-C4'-P energy: -14.514
tors. eta vs tors. theta energy: -24.045
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 474
Temperature: 1.200000
Total energy: -102.161007 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.161007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.161007 (E_RNA)
where:
Base-Base interactions energy: -32.855
where: short stacking energy: -32.855
Base-Backbone interact. energy: -0.110
local terms energy: -69.195307
where:
bonds (distance) C4'-P energy: -15.396
bonds (distance) P-C4' energy: -20.867
flat angles C4'-P-C4' energy: -12.660
flat angles P-C4'-P energy: -15.182
tors. eta vs tors. theta energy: -5.090
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 474
Temperature: 1.250000
Total energy: -176.612123 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -176.612123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -176.612123 (E_RNA)
where:
Base-Base interactions energy: -112.101
where: short stacking energy: -55.862
Base-Backbone interact. energy: -0.098
local terms energy: -64.413162
where:
bonds (distance) C4'-P energy: -18.006
bonds (distance) P-C4' energy: -16.463
flat angles C4'-P-C4' energy: -14.983
flat angles P-C4'-P energy: -7.135
tors. eta vs tors. theta energy: -7.826
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 474
Temperature: 1.300000
Total energy: -97.653481 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.653481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.653481 (E_RNA)
where:
Base-Base interactions energy: -38.429
where: short stacking energy: -38.429
Base-Backbone interact. energy: -1.239
local terms energy: -57.984839
where:
bonds (distance) C4'-P energy: -15.749
bonds (distance) P-C4' energy: -9.361
flat angles C4'-P-C4' energy: -19.190
flat angles P-C4'-P energy: -9.389
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: 9
=====================================
Write number: 474
Temperature: 1.350000
Total energy: -86.817590 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.817590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.817590 (E_RNA)
where:
Base-Base interactions energy: -24.272
where: short stacking energy: -23.986
Base-Backbone interact. energy: -0.119
local terms energy: -62.425915
where:
bonds (distance) C4'-P energy: -11.277
bonds (distance) P-C4' energy: -17.877
flat angles C4'-P-C4' energy: -19.321
flat angles P-C4'-P energy: -8.712
tors. eta vs tors. theta energy: -5.237
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 475
Temperature: 0.900000
Total energy: -290.193325 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.193325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.193325 (E_RNA)
where:
Base-Base interactions energy: -194.543
where: short stacking energy: -74.260
Base-Backbone interact. energy: -0.563
local terms energy: -95.086986
where:
bonds (distance) C4'-P energy: -18.208
bonds (distance) P-C4' energy: -18.805
flat angles C4'-P-C4' energy: -17.871
flat angles P-C4'-P energy: -16.899
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: 2, replica: 5
=====================================
Write number: 475
Temperature: 0.950000
Total energy: -284.259517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.259517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.259517 (E_RNA)
where:
Base-Base interactions energy: -191.951
where: short stacking energy: -79.470
Base-Backbone interact. energy: -0.074
local terms energy: -92.234275
where:
bonds (distance) C4'-P energy: -16.900
bonds (distance) P-C4' energy: -18.597
flat angles C4'-P-C4' energy: -17.782
flat angles P-C4'-P energy: -13.410
tors. eta vs tors. theta energy: -25.545
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 475
Temperature: 1.000000
Total energy: -277.608193 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.608193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.608193 (E_RNA)
where:
Base-Base interactions energy: -190.236
where: short stacking energy: -72.448
Base-Backbone interact. energy: -0.154
local terms energy: -87.218018
where:
bonds (distance) C4'-P energy: -15.740
bonds (distance) P-C4' energy: -21.003
flat angles C4'-P-C4' energy: -19.772
flat angles P-C4'-P energy: -9.121
tors. eta vs tors. theta energy: -21.582
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 7
=====================================
Write number: 475
Temperature: 1.050000
Total energy: -275.886449 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.886449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.886449 (E_RNA)
where:
Base-Base interactions energy: -186.406
where: short stacking energy: -77.539
Base-Backbone interact. energy: -0.441
local terms energy: -89.038646
where:
bonds (distance) C4'-P energy: -14.491
bonds (distance) P-C4' energy: -16.864
flat angles C4'-P-C4' energy: -21.704
flat angles P-C4'-P energy: -10.517
tors. eta vs tors. theta energy: -25.463
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 475
Temperature: 1.100000
Total energy: -272.815948 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.815948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.815948 (E_RNA)
where:
Base-Base interactions energy: -189.386
where: short stacking energy: -73.468
Base-Backbone interact. energy: -0.088
local terms energy: -83.342336
where:
bonds (distance) C4'-P energy: -13.427
bonds (distance) P-C4' energy: -17.790
flat angles C4'-P-C4' energy: -14.464
flat angles P-C4'-P energy: -14.955
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: 6, replica: 10
=====================================
Write number: 475
Temperature: 1.150000
Total energy: -256.222957 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -256.222957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -256.222957 (E_RNA)
where:
Base-Base interactions energy: -171.955
where: short stacking energy: -72.342
Base-Backbone interact. energy: -0.098
local terms energy: -84.169574
where:
bonds (distance) C4'-P energy: -18.697
bonds (distance) P-C4' energy: -19.063
flat angles C4'-P-C4' energy: -17.562
flat angles P-C4'-P energy: -10.031
tors. eta vs tors. theta energy: -18.816
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 2
=====================================
Write number: 475
Temperature: 1.200000
Total energy: -101.818213 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.818213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.818213 (E_RNA)
where:
Base-Base interactions energy: -44.381
where: short stacking energy: -42.888
Base-Backbone interact. energy: -0.093
local terms energy: -57.344250
where:
bonds (distance) C4'-P energy: -17.882
bonds (distance) P-C4' energy: -15.082
flat angles C4'-P-C4' energy: -9.826
flat angles P-C4'-P energy: -10.606
tors. eta vs tors. theta energy: -3.948
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 1
=====================================
Write number: 475
Temperature: 1.250000
Total energy: -180.971932 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -180.971932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -180.971932 (E_RNA)
where:
Base-Base interactions energy: -117.549
where: short stacking energy: -52.908
Base-Backbone interact. energy: -1.262
local terms energy: -62.160532
where:
bonds (distance) C4'-P energy: -10.838
bonds (distance) P-C4' energy: -14.632
flat angles C4'-P-C4' energy: -13.242
flat angles P-C4'-P energy: -10.392
tors. eta vs tors. theta energy: -13.057
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 475
Temperature: 1.300000
Total energy: -86.844091 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.844091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.844091 (E_RNA)
where:
Base-Base interactions energy: -27.920
where: short stacking energy: -16.076
Base-Backbone interact. energy: 1.313
local terms energy: -60.236929
where:
bonds (distance) C4'-P energy: -15.804
bonds (distance) P-C4' energy: -18.385
flat angles C4'-P-C4' energy: -9.032
flat angles P-C4'-P energy: -15.324
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: 10, replica: 9
=====================================
Write number: 475
Temperature: 1.350000
Total energy: -97.324294 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.324294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.324294 (E_RNA)
where:
Base-Base interactions energy: -27.313
where: short stacking energy: -27.044
Base-Backbone interact. energy: -0.208
local terms energy: -69.802906
where:
bonds (distance) C4'-P energy: -19.389
bonds (distance) P-C4' energy: -14.084
flat angles C4'-P-C4' energy: -13.103
flat angles P-C4'-P energy: -11.146
tors. eta vs tors. theta energy: -12.081
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 476
Temperature: 0.900000
Total energy: -277.393517 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.393517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.393517 (E_RNA)
where:
Base-Base interactions energy: -190.979
where: short stacking energy: -70.446
Base-Backbone interact. energy: -0.831
local terms energy: -85.584132
where:
bonds (distance) C4'-P energy: -16.466
bonds (distance) P-C4' energy: -17.393
flat angles C4'-P-C4' energy: -16.236
flat angles P-C4'-P energy: -11.170
tors. eta vs tors. theta energy: -24.319
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: 6
=====================================
Write number: 476
Temperature: 0.950000
Total energy: -282.624791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.624791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.624791 (E_RNA)
where:
Base-Base interactions energy: -190.591
where: short stacking energy: -79.107
Base-Backbone interact. energy: -0.523
local terms energy: -91.511398
where:
bonds (distance) C4'-P energy: -18.682
bonds (distance) P-C4' energy: -16.497
flat angles C4'-P-C4' energy: -16.312
flat angles P-C4'-P energy: -13.846
tors. eta vs tors. theta energy: -26.173
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 7
=====================================
Write number: 476
Temperature: 1.000000
Total energy: -277.886318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.886318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.886318 (E_RNA)
where:
Base-Base interactions energy: -182.258
where: short stacking energy: -72.459
Base-Backbone interact. energy: -0.016
local terms energy: -95.611510
where:
bonds (distance) C4'-P energy: -18.413
bonds (distance) P-C4' energy: -18.070
flat angles C4'-P-C4' energy: -20.066
flat angles P-C4'-P energy: -12.816
tors. eta vs tors. theta energy: -26.247
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: 476
Temperature: 1.050000
Total energy: -279.940968 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.940968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.940968 (E_RNA)
where:
Base-Base interactions energy: -183.632
where: short stacking energy: -73.042
Base-Backbone interact. energy: -0.781
local terms energy: -95.528573
where:
bonds (distance) C4'-P energy: -19.939
bonds (distance) P-C4' energy: -16.178
flat angles C4'-P-C4' energy: -19.288
flat angles P-C4'-P energy: -12.829
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: 5, replica: 3
=====================================
Write number: 476
Temperature: 1.100000
Total energy: -271.408342 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.408342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.408342 (E_RNA)
where:
Base-Base interactions energy: -183.065
where: short stacking energy: -70.730
Base-Backbone interact. energy: -0.940
local terms energy: -87.403389
where:
bonds (distance) C4'-P energy: -20.804
bonds (distance) P-C4' energy: -14.539
flat angles C4'-P-C4' energy: -18.855
flat angles P-C4'-P energy: -11.412
tors. eta vs tors. theta energy: -21.793
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: 6, replica: 10
=====================================
Write number: 476
Temperature: 1.150000
Total energy: -266.677485 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.677485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.677485 (E_RNA)
where:
Base-Base interactions energy: -179.995
where: short stacking energy: -72.167
Base-Backbone interact. energy: -0.423
local terms energy: -86.259357
where:
bonds (distance) C4'-P energy: -16.908
bonds (distance) P-C4' energy: -19.104
flat angles C4'-P-C4' energy: -18.133
flat angles P-C4'-P energy: -9.833
tors. eta vs tors. theta energy: -22.282
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 476
Temperature: 1.200000
Total energy: -169.813709 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -169.813709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -169.813709 (E_RNA)
where:
Base-Base interactions energy: -104.672
where: short stacking energy: -50.405
Base-Backbone interact. energy: 1.600
local terms energy: -66.742026
where:
bonds (distance) C4'-P energy: -14.615
bonds (distance) P-C4' energy: -18.900
flat angles C4'-P-C4' energy: -14.725
flat angles P-C4'-P energy: -9.452
tors. eta vs tors. theta energy: -9.050
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 476
Temperature: 1.250000
Total energy: -92.057339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.057339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.057339 (E_RNA)
where:
Base-Base interactions energy: -33.979
where: short stacking energy: -32.190
Base-Backbone interact. energy: -0.145
local terms energy: -57.933463
where:
bonds (distance) C4'-P energy: -13.212
bonds (distance) P-C4' energy: -19.977
flat angles C4'-P-C4' energy: -12.529
flat angles P-C4'-P energy: -8.699
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: 9, replica: 8
=====================================
Write number: 476
Temperature: 1.300000
Total energy: -94.459217 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.459217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.459217 (E_RNA)
where:
Base-Base interactions energy: -36.769
where: short stacking energy: -28.205
Base-Backbone interact. energy: -0.136
local terms energy: -57.554491
where:
bonds (distance) C4'-P energy: -17.354
bonds (distance) P-C4' energy: -16.533
flat angles C4'-P-C4' energy: -14.863
flat angles P-C4'-P energy: -7.642
tors. eta vs tors. theta energy: -1.163
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 476
Temperature: 1.350000
Total energy: -89.113805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.113805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.113805 (E_RNA)
where:
Base-Base interactions energy: -34.536
where: short stacking energy: -34.536
Base-Backbone interact. energy: 0.772
local terms energy: -55.349999
where:
bonds (distance) C4'-P energy: -13.406
bonds (distance) P-C4' energy: -10.448
flat angles C4'-P-C4' energy: -15.754
flat angles P-C4'-P energy: -13.229
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: 1, replica: 5
=====================================
Write number: 477
Temperature: 0.900000
Total energy: -287.334847 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.334847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.334847 (E_RNA)
where:
Base-Base interactions energy: -199.065
where: short stacking energy: -78.862
Base-Backbone interact. energy: -0.232
local terms energy: -88.038634
where:
bonds (distance) C4'-P energy: -13.033
bonds (distance) P-C4' energy: -17.463
flat angles C4'-P-C4' energy: -19.550
flat angles P-C4'-P energy: -14.986
tors. eta vs tors. theta energy: -23.006
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 477
Temperature: 0.950000
Total energy: -282.487827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.487827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.487827 (E_RNA)
where:
Base-Base interactions energy: -200.115
where: short stacking energy: -81.721
Base-Backbone interact. energy: 0.496
local terms energy: -82.869427
where:
bonds (distance) C4'-P energy: -15.119
bonds (distance) P-C4' energy: -16.378
flat angles C4'-P-C4' energy: -18.913
flat angles P-C4'-P energy: -10.601
tors. eta vs tors. theta energy: -21.858
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: 6
=====================================
Write number: 477
Temperature: 1.000000
Total energy: -283.991899 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.991899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.991899 (E_RNA)
where:
Base-Base interactions energy: -188.491
where: short stacking energy: -80.489
Base-Backbone interact. energy: -1.068
local terms energy: -94.432250
where:
bonds (distance) C4'-P energy: -15.869
bonds (distance) P-C4' energy: -20.123
flat angles C4'-P-C4' energy: -21.264
flat angles P-C4'-P energy: -13.539
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: 4, replica: 3
=====================================
Write number: 477
Temperature: 1.050000
Total energy: -271.952649 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.952649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.952649 (E_RNA)
where:
Base-Base interactions energy: -186.049
where: short stacking energy: -70.274
Base-Backbone interact. energy: -0.363
local terms energy: -85.540865
where:
bonds (distance) C4'-P energy: -14.876
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -18.227
flat angles P-C4'-P energy: -14.610
tors. eta vs tors. theta energy: -23.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 477
Temperature: 1.100000
Total energy: -269.931293 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.931293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.931293 (E_RNA)
where:
Base-Base interactions energy: -184.668
where: short stacking energy: -72.892
Base-Backbone interact. energy: -0.091
local terms energy: -85.173055
where:
bonds (distance) C4'-P energy: -14.946
bonds (distance) P-C4' energy: -18.347
flat angles C4'-P-C4' energy: -18.390
flat angles P-C4'-P energy: -13.558
tors. eta vs tors. theta energy: -19.931
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: 6, replica: 10
=====================================
Write number: 477
Temperature: 1.150000
Total energy: -263.616117 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.616117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.616117 (E_RNA)
where:
Base-Base interactions energy: -187.171
where: short stacking energy: -72.703
Base-Backbone interact. energy: -0.184
local terms energy: -76.260954
where:
bonds (distance) C4'-P energy: -14.125
bonds (distance) P-C4' energy: -10.692
flat angles C4'-P-C4' energy: -19.718
flat angles P-C4'-P energy: -12.399
tors. eta vs tors. theta energy: -19.327
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 477
Temperature: 1.200000
Total energy: -166.916640 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -166.916640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -166.916640 (E_RNA)
where:
Base-Base interactions energy: -100.962
where: short stacking energy: -46.995
Base-Backbone interact. energy: 0.101
local terms energy: -66.055938
where:
bonds (distance) C4'-P energy: -16.131
bonds (distance) P-C4' energy: -16.907
flat angles C4'-P-C4' energy: -11.945
flat angles P-C4'-P energy: -11.469
tors. eta vs tors. theta energy: -9.603
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 477
Temperature: 1.250000
Total energy: -90.928639 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.928639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.928639 (E_RNA)
where:
Base-Base interactions energy: -36.719
where: short stacking energy: -36.549
Base-Backbone interact. energy: -0.265
local terms energy: -53.944184
where:
bonds (distance) C4'-P energy: -17.012
bonds (distance) P-C4' energy: -15.991
flat angles C4'-P-C4' energy: -8.425
flat angles P-C4'-P energy: -6.290
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: 9, replica: 2
=====================================
Write number: 477
Temperature: 1.300000
Total energy: -81.669525 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -81.669525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -81.669525 (E_RNA)
where:
Base-Base interactions energy: -27.575
where: short stacking energy: -20.517
Base-Backbone interact. energy: -0.298
local terms energy: -53.796964
where:
bonds (distance) C4'-P energy: -12.839
bonds (distance) P-C4' energy: -16.616
flat angles C4'-P-C4' energy: -15.282
flat angles P-C4'-P energy: -13.200
tors. eta vs tors. theta energy: 4.141
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 477
Temperature: 1.350000
Total energy: -84.794857 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.794857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.794857 (E_RNA)
where:
Base-Base interactions energy: -32.822
where: short stacking energy: -15.694
Base-Backbone interact. energy: -0.255
local terms energy: -51.718384
where:
bonds (distance) C4'-P energy: -18.644
bonds (distance) P-C4' energy: -16.787
flat angles C4'-P-C4' energy: -7.422
flat angles P-C4'-P energy: -11.518
tors. eta vs tors. theta energy: 2.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 478
Temperature: 0.900000
Total energy: -290.524511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.524511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.524511 (E_RNA)
where:
Base-Base interactions energy: -190.472
where: short stacking energy: -85.126
Base-Backbone interact. energy: -0.599
local terms energy: -99.453308
where:
bonds (distance) C4'-P energy: -20.217
bonds (distance) P-C4' energy: -19.937
flat angles C4'-P-C4' energy: -18.411
flat angles P-C4'-P energy: -12.755
tors. eta vs tors. theta energy: -28.133
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 478
Temperature: 0.950000
Total energy: -281.090826 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.090826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.090826 (E_RNA)
where:
Base-Base interactions energy: -198.876
where: short stacking energy: -65.709
Base-Backbone interact. energy: -0.079
local terms energy: -82.135816
where:
bonds (distance) C4'-P energy: -16.291
bonds (distance) P-C4' energy: -16.625
flat angles C4'-P-C4' energy: -17.372
flat angles P-C4'-P energy: -10.843
tors. eta vs tors. theta energy: -21.006
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: 3
=====================================
Write number: 478
Temperature: 1.000000
Total energy: -272.880963 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.880963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.880963 (E_RNA)
where:
Base-Base interactions energy: -190.497
where: short stacking energy: -90.355
Base-Backbone interact. energy: -0.610
local terms energy: -81.774428
where:
bonds (distance) C4'-P energy: -15.315
bonds (distance) P-C4' energy: -15.468
flat angles C4'-P-C4' energy: -15.734
flat angles P-C4'-P energy: -11.111
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: 4, replica: 6
=====================================
Write number: 478
Temperature: 1.050000
Total energy: -264.729821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.729821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.729821 (E_RNA)
where:
Base-Base interactions energy: -172.968
where: short stacking energy: -69.195
Base-Backbone interact. energy: -0.874
local terms energy: -90.887579
where:
bonds (distance) C4'-P energy: -17.524
bonds (distance) P-C4' energy: -18.952
flat angles C4'-P-C4' energy: -18.496
flat angles P-C4'-P energy: -15.116
tors. eta vs tors. theta energy: -20.799
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: 4
=====================================
Write number: 478
Temperature: 1.100000
Total energy: -262.974470 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.974470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.974470 (E_RNA)
where:
Base-Base interactions energy: -181.645
where: short stacking energy: -73.712
Base-Backbone interact. energy: -0.002
local terms energy: -81.327717
where:
bonds (distance) C4'-P energy: -12.628
bonds (distance) P-C4' energy: -18.078
flat angles C4'-P-C4' energy: -16.995
flat angles P-C4'-P energy: -10.505
tors. eta vs tors. theta energy: -23.122
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 478
Temperature: 1.150000
Total energy: -269.337192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -269.337192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -269.337192 (E_RNA)
where:
Base-Base interactions energy: -177.843
where: short stacking energy: -79.730
Base-Backbone interact. energy: -0.005
local terms energy: -91.489637
where:
bonds (distance) C4'-P energy: -16.150
bonds (distance) P-C4' energy: -16.107
flat angles C4'-P-C4' energy: -19.344
flat angles P-C4'-P energy: -13.979
tors. eta vs tors. theta energy: -25.910
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 478
Temperature: 1.200000
Total energy: -179.728422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -179.728422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -179.728422 (E_RNA)
where:
Base-Base interactions energy: -112.944
where: short stacking energy: -52.007
Base-Backbone interact. energy: -0.867
local terms energy: -65.917472
where:
bonds (distance) C4'-P energy: -7.624
bonds (distance) P-C4' energy: -18.773
flat angles C4'-P-C4' energy: -20.255
flat angles P-C4'-P energy: -11.929
tors. eta vs tors. theta energy: -7.337
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 478
Temperature: 1.250000
Total energy: -88.158629 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.158629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.158629 (E_RNA)
where:
Base-Base interactions energy: -36.320
where: short stacking energy: -36.320
Base-Backbone interact. energy: -0.182
local terms energy: -51.656301
where:
bonds (distance) C4'-P energy: -13.105
bonds (distance) P-C4' energy: -13.219
flat angles C4'-P-C4' energy: -14.434
flat angles P-C4'-P energy: -8.292
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: 9
=====================================
Write number: 478
Temperature: 1.300000
Total energy: -88.389252 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.389252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.389252 (E_RNA)
where:
Base-Base interactions energy: -32.858
where: short stacking energy: -22.162
Base-Backbone interact. energy: -0.104
local terms energy: -55.426961
where:
bonds (distance) C4'-P energy: -15.066
bonds (distance) P-C4' energy: -18.219
flat angles C4'-P-C4' energy: -12.396
flat angles P-C4'-P energy: -11.944
tors. eta vs tors. theta energy: 2.199
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 478
Temperature: 1.350000
Total energy: -89.341371 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.341371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.341371 (E_RNA)
where:
Base-Base interactions energy: -34.250
where: short stacking energy: -34.250
Base-Backbone interact. energy: -0.403
local terms energy: -54.688942
where:
bonds (distance) C4'-P energy: -16.648
bonds (distance) P-C4' energy: -15.818
flat angles C4'-P-C4' energy: -8.413
flat angles P-C4'-P energy: -12.630
tors. eta vs tors. theta energy: -1.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 5
=====================================
Write number: 479
Temperature: 0.900000
Total energy: -290.857140 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.857140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.857140 (E_RNA)
where:
Base-Base interactions energy: -193.952
where: short stacking energy: -79.372
Base-Backbone interact. energy: -0.475
local terms energy: -96.429974
where:
bonds (distance) C4'-P energy: -14.988
bonds (distance) P-C4' energy: -18.520
flat angles C4'-P-C4' energy: -20.447
flat angles P-C4'-P energy: -16.324
tors. eta vs tors. theta energy: -26.152
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: 7
=====================================
Write number: 479
Temperature: 0.950000
Total energy: -279.547818 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.547818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.547818 (E_RNA)
where:
Base-Base interactions energy: -192.077
where: short stacking energy: -77.286
Base-Backbone interact. energy: -0.119
local terms energy: -87.352292
where:
bonds (distance) C4'-P energy: -14.369
bonds (distance) P-C4' energy: -16.748
flat angles C4'-P-C4' energy: -20.117
flat angles P-C4'-P energy: -12.437
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: 3, replica: 3
=====================================
Write number: 479
Temperature: 1.000000
Total energy: -283.006804 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.006804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.006804 (E_RNA)
where:
Base-Base interactions energy: -193.362
where: short stacking energy: -83.672
Base-Backbone interact. energy: -1.555
local terms energy: -88.089616
where:
bonds (distance) C4'-P energy: -14.542
bonds (distance) P-C4' energy: -17.022
flat angles C4'-P-C4' energy: -20.402
flat angles P-C4'-P energy: -11.036
tors. eta vs tors. theta energy: -25.089
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 479
Temperature: 1.050000
Total energy: -276.906779 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.906779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.906779 (E_RNA)
where:
Base-Base interactions energy: -194.620
where: short stacking energy: -79.531
Base-Backbone interact. energy: -0.221
local terms energy: -82.065723
where:
bonds (distance) C4'-P energy: -15.468
bonds (distance) P-C4' energy: -13.859
flat angles C4'-P-C4' energy: -17.657
flat angles P-C4'-P energy: -8.476
tors. eta vs tors. theta energy: -26.605
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: 6
=====================================
Write number: 479
Temperature: 1.100000
Total energy: -267.614511 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.614511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.614511 (E_RNA)
where:
Base-Base interactions energy: -178.884
where: short stacking energy: -80.201
Base-Backbone interact. energy: -0.027
local terms energy: -88.702926
where:
bonds (distance) C4'-P energy: -11.686
bonds (distance) P-C4' energy: -18.435
flat angles C4'-P-C4' energy: -18.979
flat angles P-C4'-P energy: -13.648
tors. eta vs tors. theta energy: -25.954
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 479
Temperature: 1.150000
Total energy: -268.814357 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.814357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.814357 (E_RNA)
where:
Base-Base interactions energy: -190.614
where: short stacking energy: -75.475
Base-Backbone interact. energy: -0.071
local terms energy: -78.129896
where:
bonds (distance) C4'-P energy: -12.852
bonds (distance) P-C4' energy: -13.028
flat angles C4'-P-C4' energy: -17.587
flat angles P-C4'-P energy: -11.732
tors. eta vs tors. theta energy: -22.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 479
Temperature: 1.200000
Total energy: -197.579527 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -197.579527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -197.579527 (E_RNA)
where:
Base-Base interactions energy: -126.461
where: short stacking energy: -52.540
Base-Backbone interact. energy: -0.474
local terms energy: -70.644349
where:
bonds (distance) C4'-P energy: -10.508
bonds (distance) P-C4' energy: -19.281
flat angles C4'-P-C4' energy: -16.589
flat angles P-C4'-P energy: -13.622
tors. eta vs tors. theta energy: -10.644
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 479
Temperature: 1.250000
Total energy: -96.624011 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.624011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.624011 (E_RNA)
where:
Base-Base interactions energy: -37.973
where: short stacking energy: -37.973
Base-Backbone interact. energy: 2.552
local terms energy: -61.202993
where:
bonds (distance) C4'-P energy: -11.613
bonds (distance) P-C4' energy: -17.131
flat angles C4'-P-C4' energy: -14.166
flat angles P-C4'-P energy: -11.915
tors. eta vs tors. theta energy: -6.378
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 479
Temperature: 1.300000
Total energy: -87.868310 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.868310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.868310 (E_RNA)
where:
Base-Base interactions energy: -29.933
where: short stacking energy: -26.775
Base-Backbone interact. energy: -0.114
local terms energy: -57.821786
where:
bonds (distance) C4'-P energy: -15.270
bonds (distance) P-C4' energy: -21.091
flat angles C4'-P-C4' energy: -15.558
flat angles P-C4'-P energy: -5.058
tors. eta vs tors. theta energy: -0.844
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 479
Temperature: 1.350000
Total energy: -89.420262 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -89.420262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -89.420262 (E_RNA)
where:
Base-Base interactions energy: -42.407
where: short stacking energy: -32.610
Base-Backbone interact. energy: -0.183
local terms energy: -46.830485
where:
bonds (distance) C4'-P energy: -8.389
bonds (distance) P-C4' energy: -12.910
flat angles C4'-P-C4' energy: -14.026
flat angles P-C4'-P energy: -3.503
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: 1, replica: 7
=====================================
Write number: 480
Temperature: 0.900000
Total energy: -288.564844 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.564844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.564844 (E_RNA)
where:
Base-Base interactions energy: -191.662
where: short stacking energy: -84.074
Base-Backbone interact. energy: -0.863
local terms energy: -96.039583
where:
bonds (distance) C4'-P energy: -19.451
bonds (distance) P-C4' energy: -17.343
flat angles C4'-P-C4' energy: -20.317
flat angles P-C4'-P energy: -12.913
tors. eta vs tors. theta energy: -26.017
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 5
=====================================
Write number: 480
Temperature: 0.950000
Total energy: -286.516531 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.516531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.516531 (E_RNA)
where:
Base-Base interactions energy: -195.677
where: short stacking energy: -81.421
Base-Backbone interact. energy: -0.523
local terms energy: -90.316254
where:
bonds (distance) C4'-P energy: -12.367
bonds (distance) P-C4' energy: -18.344
flat angles C4'-P-C4' energy: -18.823
flat angles P-C4'-P energy: -15.058
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: 3, replica: 4
=====================================
Write number: 480
Temperature: 1.000000
Total energy: -279.493304 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.493304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.493304 (E_RNA)
where:
Base-Base interactions energy: -192.671
where: short stacking energy: -81.978
Base-Backbone interact. energy: -0.475
local terms energy: -86.347220
where:
bonds (distance) C4'-P energy: -14.535
bonds (distance) P-C4' energy: -20.830
flat angles C4'-P-C4' energy: -15.700
flat angles P-C4'-P energy: -10.433
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: 4, replica: 3
=====================================
Write number: 480
Temperature: 1.050000
Total energy: -283.712309 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.712309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.712309 (E_RNA)
where:
Base-Base interactions energy: -200.079
where: short stacking energy: -80.538
Base-Backbone interact. energy: -0.147
local terms energy: -83.487087
where:
bonds (distance) C4'-P energy: -10.360
bonds (distance) P-C4' energy: -13.782
flat angles C4'-P-C4' energy: -19.328
flat angles P-C4'-P energy: -13.286
tors. eta vs tors. theta energy: -26.731
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 480
Temperature: 1.100000
Total energy: -273.049068 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.049068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.049068 (E_RNA)
where:
Base-Base interactions energy: -184.272
where: short stacking energy: -81.872
Base-Backbone interact. energy: -0.075
local terms energy: -88.702164
where:
bonds (distance) C4'-P energy: -14.690
bonds (distance) P-C4' energy: -20.140
flat angles C4'-P-C4' energy: -19.308
flat angles P-C4'-P energy: -6.488
tors. eta vs tors. theta energy: -28.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 480
Temperature: 1.150000
Total energy: -257.925791 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -257.925791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -257.925791 (E_RNA)
where:
Base-Base interactions energy: -176.902
where: short stacking energy: -79.144
Base-Backbone interact. energy: -0.005
local terms energy: -81.019297
where:
bonds (distance) C4'-P energy: -18.242
bonds (distance) P-C4' energy: -12.195
flat angles C4'-P-C4' energy: -18.613
flat angles P-C4'-P energy: -10.177
tors. eta vs tors. theta energy: -21.793
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 480
Temperature: 1.200000
Total energy: -196.651191 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -196.651191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -196.651191 (E_RNA)
where:
Base-Base interactions energy: -127.225
where: short stacking energy: -47.134
Base-Backbone interact. energy: -0.103
local terms energy: -69.323864
where:
bonds (distance) C4'-P energy: -15.480
bonds (distance) P-C4' energy: -18.112
flat angles C4'-P-C4' energy: -15.665
flat angles P-C4'-P energy: -8.513
tors. eta vs tors. theta energy: -11.554
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 480
Temperature: 1.250000
Total energy: -91.240574 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.240574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.240574 (E_RNA)
where:
Base-Base interactions energy: -26.422
where: short stacking energy: -21.642
Base-Backbone interact. energy: -0.255
local terms energy: -64.563958
where:
bonds (distance) C4'-P energy: -15.414
bonds (distance) P-C4' energy: -19.579
flat angles C4'-P-C4' energy: -15.376
flat angles P-C4'-P energy: -12.226
tors. eta vs tors. theta energy: -1.969
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 480
Temperature: 1.300000
Total energy: -88.314169 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.314169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.314169 (E_RNA)
where:
Base-Base interactions energy: -33.172
where: short stacking energy: -25.733
Base-Backbone interact. energy: -0.249
local terms energy: -54.892516
where:
bonds (distance) C4'-P energy: -17.219
bonds (distance) P-C4' energy: -19.821
flat angles C4'-P-C4' energy: -11.983
flat angles P-C4'-P energy: -3.648
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: 10, replica: 9
=====================================
Write number: 480
Temperature: 1.350000
Total energy: -84.976413 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.976413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.976413 (E_RNA)
where:
Base-Base interactions energy: -31.394
where: short stacking energy: -31.394
Base-Backbone interact. energy: -0.153
local terms energy: -53.429301
where:
bonds (distance) C4'-P energy: -14.271
bonds (distance) P-C4' energy: -16.564
flat angles C4'-P-C4' energy: -15.263
flat angles P-C4'-P energy: -6.937
tors. eta vs tors. theta energy: -0.395
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: 7
=====================================
Write number: 481
Temperature: 0.900000
Total energy: -287.765384 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.765384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.765384 (E_RNA)
where:
Base-Base interactions energy: -193.274
where: short stacking energy: -85.349
Base-Backbone interact. energy: -0.111
local terms energy: -94.380717
where:
bonds (distance) C4'-P energy: -20.883
bonds (distance) P-C4' energy: -14.408
flat angles C4'-P-C4' energy: -21.097
flat angles P-C4'-P energy: -13.179
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: 4
=====================================
Write number: 481
Temperature: 0.950000
Total energy: -282.263472 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.263472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.263472 (E_RNA)
where:
Base-Base interactions energy: -190.105
where: short stacking energy: -77.218
Base-Backbone interact. energy: -1.191
local terms energy: -90.967508
where:
bonds (distance) C4'-P energy: -17.050
bonds (distance) P-C4' energy: -17.942
flat angles C4'-P-C4' energy: -18.140
flat angles P-C4'-P energy: -13.363
tors. eta vs tors. theta energy: -24.472
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 5
=====================================
Write number: 481
Temperature: 1.000000
Total energy: -279.832832 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.832832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.832832 (E_RNA)
where:
Base-Base interactions energy: -184.858
where: short stacking energy: -74.041
Base-Backbone interact. energy: -0.048
local terms energy: -94.926943
where:
bonds (distance) C4'-P energy: -15.460
bonds (distance) P-C4' energy: -19.379
flat angles C4'-P-C4' energy: -18.908
flat angles P-C4'-P energy: -14.832
tors. eta vs tors. theta energy: -26.348
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: 3
=====================================
Write number: 481
Temperature: 1.050000
Total energy: -285.800569 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.800569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.800569 (E_RNA)
where:
Base-Base interactions energy: -200.089
where: short stacking energy: -80.394
Base-Backbone interact. energy: 0.039
local terms energy: -85.750365
where:
bonds (distance) C4'-P energy: -12.953
bonds (distance) P-C4' energy: -17.297
flat angles C4'-P-C4' energy: -17.668
flat angles P-C4'-P energy: -15.542
tors. eta vs tors. theta energy: -22.290
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 6
=====================================
Write number: 481
Temperature: 1.100000
Total energy: -273.845849 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.845849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.845849 (E_RNA)
where:
Base-Base interactions energy: -187.054
where: short stacking energy: -79.001
Base-Backbone interact. energy: -0.238
local terms energy: -86.553919
where:
bonds (distance) C4'-P energy: -16.234
bonds (distance) P-C4' energy: -14.419
flat angles C4'-P-C4' energy: -18.048
flat angles P-C4'-P energy: -13.001
tors. eta vs tors. theta energy: -24.852
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 481
Temperature: 1.150000
Total energy: -234.638910 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -234.638910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -234.638910 (E_RNA)
where:
Base-Base interactions energy: -158.722
where: short stacking energy: -61.346
Base-Backbone interact. energy: -0.466
local terms energy: -75.450946
where:
bonds (distance) C4'-P energy: -16.221
bonds (distance) P-C4' energy: -13.718
flat angles C4'-P-C4' energy: -18.838
flat angles P-C4'-P energy: -9.086
tors. eta vs tors. theta energy: -17.587
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 481
Temperature: 1.200000
Total energy: -244.154471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -244.154471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -244.154471 (E_RNA)
where:
Base-Base interactions energy: -172.260
where: short stacking energy: -77.294
Base-Backbone interact. energy: -0.027
local terms energy: -71.867836
where:
bonds (distance) C4'-P energy: -12.351
bonds (distance) P-C4' energy: -12.978
flat angles C4'-P-C4' energy: -14.565
flat angles P-C4'-P energy: -8.507
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: 8, replica: 2
=====================================
Write number: 481
Temperature: 1.250000
Total energy: -92.545521 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.545521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.545521 (E_RNA)
where:
Base-Base interactions energy: -34.717
where: short stacking energy: -29.194
Base-Backbone interact. energy: -0.222
local terms energy: -57.606193
where:
bonds (distance) C4'-P energy: -7.582
bonds (distance) P-C4' energy: -17.949
flat angles C4'-P-C4' energy: -13.259
flat angles P-C4'-P energy: -14.632
tors. eta vs tors. theta energy: -4.184
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 481
Temperature: 1.300000
Total energy: -96.687072 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.687072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.687072 (E_RNA)
where:
Base-Base interactions energy: -39.482
where: short stacking energy: -32.915
Base-Backbone interact. energy: 0.257
local terms energy: -57.461874
where:
bonds (distance) C4'-P energy: -8.737
bonds (distance) P-C4' energy: -18.353
flat angles C4'-P-C4' energy: -19.778
flat angles P-C4'-P energy: -9.159
tors. eta vs tors. theta energy: -1.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 481
Temperature: 1.350000
Total energy: -82.240199 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.240199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.240199 (E_RNA)
where:
Base-Base interactions energy: -34.101
where: short stacking energy: -33.416
Base-Backbone interact. energy: -0.312
local terms energy: -47.826939
where:
bonds (distance) C4'-P energy: -14.755
bonds (distance) P-C4' energy: -14.979
flat angles C4'-P-C4' energy: -6.119
flat angles P-C4'-P energy: -10.412
tors. eta vs tors. theta energy: -1.562
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 482
Temperature: 0.900000
Total energy: -290.300828 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -290.300828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -290.300828 (E_RNA)
where:
Base-Base interactions energy: -192.432
where: short stacking energy: -73.152
Base-Backbone interact. energy: -0.052
local terms energy: -97.816044
where:
bonds (distance) C4'-P energy: -17.253
bonds (distance) P-C4' energy: -20.302
flat angles C4'-P-C4' energy: -22.058
flat angles P-C4'-P energy: -15.182
tors. eta vs tors. theta energy: -23.021
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 482
Temperature: 0.950000
Total energy: -282.247561 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.247561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.247561 (E_RNA)
where:
Base-Base interactions energy: -193.058
where: short stacking energy: -79.303
Base-Backbone interact. energy: -0.875
local terms energy: -88.314217
where:
bonds (distance) C4'-P energy: -16.694
bonds (distance) P-C4' energy: -11.890
flat angles C4'-P-C4' energy: -21.429
flat angles P-C4'-P energy: -13.377
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: 3, replica: 3
=====================================
Write number: 482
Temperature: 1.000000
Total energy: -275.331344 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.331344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.331344 (E_RNA)
where:
Base-Base interactions energy: -186.990
where: short stacking energy: -73.321
Base-Backbone interact. energy: -0.095
local terms energy: -88.246805
where:
bonds (distance) C4'-P energy: -12.669
bonds (distance) P-C4' energy: -21.716
flat angles C4'-P-C4' energy: -21.396
flat angles P-C4'-P energy: -9.597
tors. eta vs tors. theta energy: -22.869
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 5
=====================================
Write number: 482
Temperature: 1.050000
Total energy: -274.551855 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.551855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.551855 (E_RNA)
where:
Base-Base interactions energy: -182.515
where: short stacking energy: -70.500
Base-Backbone interact. energy: 1.219
local terms energy: -93.255909
where:
bonds (distance) C4'-P energy: -16.522
bonds (distance) P-C4' energy: -21.354
flat angles C4'-P-C4' energy: -20.591
flat angles P-C4'-P energy: -10.085
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: 6
=====================================
Write number: 482
Temperature: 1.100000
Total energy: -270.025056 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.025056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.025056 (E_RNA)
where:
Base-Base interactions energy: -181.376
where: short stacking energy: -77.139
Base-Backbone interact. energy: -0.007
local terms energy: -88.642645
where:
bonds (distance) C4'-P energy: -20.795
bonds (distance) P-C4' energy: -13.643
flat angles C4'-P-C4' energy: -18.743
flat angles P-C4'-P energy: -10.997
tors. eta vs tors. theta energy: -24.464
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: 1
=====================================
Write number: 482
Temperature: 1.150000
Total energy: -246.796702 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -246.796702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -246.796702 (E_RNA)
where:
Base-Base interactions energy: -164.413
where: short stacking energy: -68.949
Base-Backbone interact. energy: -0.017
local terms energy: -82.367360
where:
bonds (distance) C4'-P energy: -16.450
bonds (distance) P-C4' energy: -14.661
flat angles C4'-P-C4' energy: -17.520
flat angles P-C4'-P energy: -11.792
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: 7, replica: 10
=====================================
Write number: 482
Temperature: 1.200000
Total energy: -258.110877 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -258.110877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -258.110877 (E_RNA)
where:
Base-Base interactions energy: -176.411
where: short stacking energy: -72.806
Base-Backbone interact. energy: -0.479
local terms energy: -81.220611
where:
bonds (distance) C4'-P energy: -18.085
bonds (distance) P-C4' energy: -15.322
flat angles C4'-P-C4' energy: -16.059
flat angles P-C4'-P energy: -10.722
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: 8, replica: 2
=====================================
Write number: 482
Temperature: 1.250000
Total energy: -100.891890 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.891890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.891890 (E_RNA)
where:
Base-Base interactions energy: -48.419
where: short stacking energy: -33.091
Base-Backbone interact. energy: -0.847
local terms energy: -51.626195
where:
bonds (distance) C4'-P energy: -12.757
bonds (distance) P-C4' energy: -17.153
flat angles C4'-P-C4' energy: -11.035
flat angles P-C4'-P energy: -7.275
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: 9, replica: 9
=====================================
Write number: 482
Temperature: 1.300000
Total energy: -84.961268 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.961268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.961268 (E_RNA)
where:
Base-Base interactions energy: -35.107
where: short stacking energy: -20.072
Base-Backbone interact. energy: -0.224
local terms energy: -49.630565
where:
bonds (distance) C4'-P energy: -15.489
bonds (distance) P-C4' energy: -17.037
flat angles C4'-P-C4' energy: -12.223
flat angles P-C4'-P energy: -4.444
tors. eta vs tors. theta energy: -0.438
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 482
Temperature: 1.350000
Total energy: -76.706842 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -76.706842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -76.706842 (E_RNA)
where:
Base-Base interactions energy: -23.937
where: short stacking energy: -20.591
Base-Backbone interact. energy: -0.267
local terms energy: -52.503389
where:
bonds (distance) C4'-P energy: -12.797
bonds (distance) P-C4' energy: -18.199
flat angles C4'-P-C4' energy: -15.230
flat angles P-C4'-P energy: -8.713
tors. eta vs tors. theta energy: 2.435
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 4
=====================================
Write number: 483
Temperature: 0.900000
Total energy: -286.550858 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.550858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.550858 (E_RNA)
where:
Base-Base interactions energy: -195.919
where: short stacking energy: -86.978
Base-Backbone interact. energy: -0.020
local terms energy: -90.611976
where:
bonds (distance) C4'-P energy: -14.698
bonds (distance) P-C4' energy: -20.133
flat angles C4'-P-C4' energy: -20.068
flat angles P-C4'-P energy: -11.010
tors. eta vs tors. theta energy: -24.702
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: 7
=====================================
Write number: 483
Temperature: 0.950000
Total energy: -278.667086 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.667086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.667086 (E_RNA)
where:
Base-Base interactions energy: -185.762
where: short stacking energy: -76.804
Base-Backbone interact. energy: -0.352
local terms energy: -92.553466
where:
bonds (distance) C4'-P energy: -16.106
bonds (distance) P-C4' energy: -21.544
flat angles C4'-P-C4' energy: -18.440
flat angles P-C4'-P energy: -9.845
tors. eta vs tors. theta energy: -26.619
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: 3
=====================================
Write number: 483
Temperature: 1.000000
Total energy: -278.777572 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.777572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.777572 (E_RNA)
where:
Base-Base interactions energy: -190.052
where: short stacking energy: -81.613
Base-Backbone interact. energy: -0.948
local terms energy: -87.777777
where:
bonds (distance) C4'-P energy: -14.474
bonds (distance) P-C4' energy: -19.211
flat angles C4'-P-C4' energy: -18.007
flat angles P-C4'-P energy: -12.955
tors. eta vs tors. theta energy: -23.130
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 6
=====================================
Write number: 483
Temperature: 1.050000
Total energy: -279.348745 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.348745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.348745 (E_RNA)
where:
Base-Base interactions energy: -188.523
where: short stacking energy: -79.008
Base-Backbone interact. energy: -0.360
local terms energy: -90.465540
where:
bonds (distance) C4'-P energy: -20.207
bonds (distance) P-C4' energy: -16.439
flat angles C4'-P-C4' energy: -17.925
flat angles P-C4'-P energy: -10.780
tors. eta vs tors. theta energy: -25.115
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 5
=====================================
Write number: 483
Temperature: 1.100000
Total energy: -261.145316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.145316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.145316 (E_RNA)
where:
Base-Base interactions energy: -177.695
where: short stacking energy: -78.992
Base-Backbone interact. energy: -0.343
local terms energy: -83.107631
where:
bonds (distance) C4'-P energy: -12.466
bonds (distance) P-C4' energy: -17.222
flat angles C4'-P-C4' energy: -19.678
flat angles P-C4'-P energy: -9.747
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: 6, replica: 1
=====================================
Write number: 483
Temperature: 1.150000
Total energy: -268.948043 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.948043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.948043 (E_RNA)
where:
Base-Base interactions energy: -182.060
where: short stacking energy: -66.758
Base-Backbone interact. energy: -0.619
local terms energy: -86.269208
where:
bonds (distance) C4'-P energy: -16.370
bonds (distance) P-C4' energy: -18.720
flat angles C4'-P-C4' energy: -16.690
flat angles P-C4'-P energy: -11.750
tors. eta vs tors. theta energy: -22.739
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 483
Temperature: 1.200000
Total energy: -252.824355 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.824355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.824355 (E_RNA)
where:
Base-Base interactions energy: -167.539
where: short stacking energy: -60.723
Base-Backbone interact. energy: -0.152
local terms energy: -85.133539
where:
bonds (distance) C4'-P energy: -17.860
bonds (distance) P-C4' energy: -17.998
flat angles C4'-P-C4' energy: -15.148
flat angles P-C4'-P energy: -13.108
tors. eta vs tors. theta energy: -21.019
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: 2
=====================================
Write number: 483
Temperature: 1.250000
Total energy: -107.850658 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -107.850658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -107.850658 (E_RNA)
where:
Base-Base interactions energy: -42.399
where: short stacking energy: -41.188
Base-Backbone interact. energy: 0.327
local terms energy: -65.778434
where:
bonds (distance) C4'-P energy: -19.178
bonds (distance) P-C4' energy: -19.115
flat angles C4'-P-C4' energy: -12.380
flat angles P-C4'-P energy: -8.629
tors. eta vs tors. theta energy: -6.476
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 483
Temperature: 1.300000
Total energy: -100.842549 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -100.842549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -100.842549 (E_RNA)
where:
Base-Base interactions energy: -35.181
where: short stacking energy: -35.181
Base-Backbone interact. energy: -0.147
local terms energy: -65.514446
where:
bonds (distance) C4'-P energy: -18.938
bonds (distance) P-C4' energy: -16.597
flat angles C4'-P-C4' energy: -13.585
flat angles P-C4'-P energy: -10.522
tors. eta vs tors. theta energy: -5.873
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 483
Temperature: 1.350000
Total energy: -88.673442 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.673442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.673442 (E_RNA)
where:
Base-Base interactions energy: -26.763
where: short stacking energy: -26.763
Base-Backbone interact. energy: 0.148
local terms energy: -62.058432
where:
bonds (distance) C4'-P energy: -16.764
bonds (distance) P-C4' energy: -19.972
flat angles C4'-P-C4' energy: -10.621
flat angles P-C4'-P energy: -10.457
tors. eta vs tors. theta energy: -4.245
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 484
Temperature: 0.900000
Total energy: -281.368912 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.368912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.368912 (E_RNA)
where:
Base-Base interactions energy: -193.947
where: short stacking energy: -78.966
Base-Backbone interact. energy: -0.066
local terms energy: -87.355937
where:
bonds (distance) C4'-P energy: -17.402
bonds (distance) P-C4' energy: -18.815
flat angles C4'-P-C4' energy: -16.500
flat angles P-C4'-P energy: -12.741
tors. eta vs tors. theta energy: -21.898
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 4
=====================================
Write number: 484
Temperature: 0.950000
Total energy: -287.469728 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -287.469728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -287.469728 (E_RNA)
where:
Base-Base interactions energy: -203.024
where: short stacking energy: -78.241
Base-Backbone interact. energy: -0.563
local terms energy: -83.882024
where:
bonds (distance) C4'-P energy: -16.299
bonds (distance) P-C4' energy: -14.715
flat angles C4'-P-C4' energy: -19.326
flat angles P-C4'-P energy: -9.871
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: 3, replica: 6
=====================================
Write number: 484
Temperature: 1.000000
Total energy: -273.485767 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.485767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.485767 (E_RNA)
where:
Base-Base interactions energy: -183.023
where: short stacking energy: -73.011
Base-Backbone interact. energy: -0.162
local terms energy: -90.301639
where:
bonds (distance) C4'-P energy: -16.429
bonds (distance) P-C4' energy: -17.184
flat angles C4'-P-C4' energy: -20.117
flat angles P-C4'-P energy: -12.293
tors. eta vs tors. theta energy: -24.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 484
Temperature: 1.050000
Total energy: -281.395340 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.395340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.395340 (E_RNA)
where:
Base-Base interactions energy: -188.471
where: short stacking energy: -77.748
Base-Backbone interact. energy: -0.001
local terms energy: -92.923123
where:
bonds (distance) C4'-P energy: -17.949
bonds (distance) P-C4' energy: -17.551
flat angles C4'-P-C4' energy: -16.939
flat angles P-C4'-P energy: -15.093
tors. eta vs tors. theta energy: -25.392
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 484
Temperature: 1.100000
Total energy: -264.872418 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.872418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.872418 (E_RNA)
where:
Base-Base interactions energy: -179.535
where: short stacking energy: -79.584
Base-Backbone interact. energy: -0.100
local terms energy: -85.238130
where:
bonds (distance) C4'-P energy: -14.606
bonds (distance) P-C4' energy: -16.823
flat angles C4'-P-C4' energy: -19.136
flat angles P-C4'-P energy: -11.141
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: 5
=====================================
Write number: 484
Temperature: 1.150000
Total energy: -263.902694 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -263.902694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -263.902694 (E_RNA)
where:
Base-Base interactions energy: -174.570
where: short stacking energy: -71.678
Base-Backbone interact. energy: -0.238
local terms energy: -89.094263
where:
bonds (distance) C4'-P energy: -17.984
bonds (distance) P-C4' energy: -20.631
flat angles C4'-P-C4' energy: -15.683
flat angles P-C4'-P energy: -13.474
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: 7, replica: 10
=====================================
Write number: 484
Temperature: 1.200000
Total energy: -238.130643 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -238.130643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -238.130643 (E_RNA)
where:
Base-Base interactions energy: -163.284
where: short stacking energy: -59.895
Base-Backbone interact. energy: -0.368
local terms energy: -74.478449
where:
bonds (distance) C4'-P energy: -17.699
bonds (distance) P-C4' energy: -7.629
flat angles C4'-P-C4' energy: -16.170
flat angles P-C4'-P energy: -15.933
tors. eta vs tors. theta energy: -17.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 484
Temperature: 1.250000
Total energy: -95.337593 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -95.337593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -95.337593 (E_RNA)
where:
Base-Base interactions energy: -37.391
where: short stacking energy: -21.955
Base-Backbone interact. energy: -0.035
local terms energy: -57.911104
where:
bonds (distance) C4'-P energy: -17.228
bonds (distance) P-C4' energy: -19.320
flat angles C4'-P-C4' energy: -12.577
flat angles P-C4'-P energy: -6.006
tors. eta vs tors. theta energy: -2.780
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 484
Temperature: 1.300000
Total energy: -86.341579 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.341579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.341579 (E_RNA)
where:
Base-Base interactions energy: -35.896
where: short stacking energy: -26.232
Base-Backbone interact. energy: -0.568
local terms energy: -49.877972
where:
bonds (distance) C4'-P energy: -11.370
bonds (distance) P-C4' energy: -14.427
flat angles C4'-P-C4' energy: -11.609
flat angles P-C4'-P energy: -10.508
tors. eta vs tors. theta energy: -1.964
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 484
Temperature: 1.350000
Total energy: -99.471996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.471996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.471996 (E_RNA)
where:
Base-Base interactions energy: -44.781
where: short stacking energy: -42.331
Base-Backbone interact. energy: -0.047
local terms energy: -54.643820
where:
bonds (distance) C4'-P energy: -14.582
bonds (distance) P-C4' energy: -13.904
flat angles C4'-P-C4' energy: -13.138
flat angles P-C4'-P energy: -7.771
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: 1, replica: 7
=====================================
Write number: 485
Temperature: 0.900000
Total energy: -286.567051 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.567051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.567051 (E_RNA)
where:
Base-Base interactions energy: -201.223
where: short stacking energy: -80.721
Base-Backbone interact. energy: -0.003
local terms energy: -85.340798
where:
bonds (distance) C4'-P energy: -14.068
bonds (distance) P-C4' energy: -16.879
flat angles C4'-P-C4' energy: -17.829
flat angles P-C4'-P energy: -13.025
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: 2, replica: 6
=====================================
Write number: 485
Temperature: 0.950000
Total energy: -277.573524 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -277.573524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -277.573524 (E_RNA)
where:
Base-Base interactions energy: -187.727
where: short stacking energy: -79.928
Base-Backbone interact. energy: 0.073
local terms energy: -89.919082
where:
bonds (distance) C4'-P energy: -12.711
bonds (distance) P-C4' energy: -18.147
flat angles C4'-P-C4' energy: -19.506
flat angles P-C4'-P energy: -14.624
tors. eta vs tors. theta energy: -24.932
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 4
=====================================
Write number: 485
Temperature: 1.000000
Total energy: -281.717057 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.717057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.717057 (E_RNA)
where:
Base-Base interactions energy: -188.202
where: short stacking energy: -72.899
Base-Backbone interact. energy: -0.800
local terms energy: -92.715882
where:
bonds (distance) C4'-P energy: -15.000
bonds (distance) P-C4' energy: -19.675
flat angles C4'-P-C4' energy: -17.975
flat angles P-C4'-P energy: -13.652
tors. eta vs tors. theta energy: -26.415
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 485
Temperature: 1.050000
Total energy: -273.920330 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.920330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.920330 (E_RNA)
where:
Base-Base interactions energy: -187.857
where: short stacking energy: -71.323
Base-Backbone interact. energy: -0.250
local terms energy: -85.813498
where:
bonds (distance) C4'-P energy: -14.255
bonds (distance) P-C4' energy: -17.288
flat angles C4'-P-C4' energy: -14.442
flat angles P-C4'-P energy: -15.495
tors. eta vs tors. theta energy: -24.334
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 485
Temperature: 1.100000
Total energy: -259.119422 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -259.119422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -259.119422 (E_RNA)
where:
Base-Base interactions energy: -182.493
where: short stacking energy: -79.719
Base-Backbone interact. energy: -0.206
local terms energy: -76.420841
where:
bonds (distance) C4'-P energy: -10.610
bonds (distance) P-C4' energy: -14.149
flat angles C4'-P-C4' energy: -17.961
flat angles P-C4'-P energy: -7.459
tors. eta vs tors. theta energy: -26.242
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 485
Temperature: 1.150000
Total energy: -252.682035 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -252.682035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -252.682035 (E_RNA)
where:
Base-Base interactions energy: -172.600
where: short stacking energy: -68.867
Base-Backbone interact. energy: -0.196
local terms energy: -79.885671
where:
bonds (distance) C4'-P energy: -16.589
bonds (distance) P-C4' energy: -15.542
flat angles C4'-P-C4' energy: -19.056
flat angles P-C4'-P energy: -10.870
tors. eta vs tors. theta energy: -17.827
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 485
Temperature: 1.200000
Total energy: -255.803497 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.803497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.803497 (E_RNA)
where:
Base-Base interactions energy: -179.161
where: short stacking energy: -74.567
Base-Backbone interact. energy: -0.046
local terms energy: -76.596565
where:
bonds (distance) C4'-P energy: -15.455
bonds (distance) P-C4' energy: -13.096
flat angles C4'-P-C4' energy: -14.323
flat angles P-C4'-P energy: -11.949
tors. eta vs tors. theta energy: -21.774
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: 8, replica: 8
=====================================
Write number: 485
Temperature: 1.250000
Total energy: -88.205186 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -88.205186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -88.205186 (E_RNA)
where:
Base-Base interactions energy: -34.847
where: short stacking energy: -31.632
Base-Backbone interact. energy: -0.159
local terms energy: -53.199492
where:
bonds (distance) C4'-P energy: -17.410
bonds (distance) P-C4' energy: -21.085
flat angles C4'-P-C4' energy: -15.728
flat angles P-C4'-P energy: -3.881
tors. eta vs tors. theta energy: 4.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 485
Temperature: 1.300000
Total energy: -83.975733 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.975733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.975733 (E_RNA)
where:
Base-Base interactions energy: -31.774
where: short stacking energy: -12.926
Base-Backbone interact. energy: -0.198
local terms energy: -52.003288
where:
bonds (distance) C4'-P energy: -16.006
bonds (distance) P-C4' energy: -17.717
flat angles C4'-P-C4' energy: -18.610
flat angles P-C4'-P energy: -2.919
tors. eta vs tors. theta energy: 3.250
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 485
Temperature: 1.350000
Total energy: -97.779316 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.779316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.779316 (E_RNA)
where:
Base-Base interactions energy: -37.021
where: short stacking energy: -32.294
Base-Backbone interact. energy: -0.193
local terms energy: -60.564752
where:
bonds (distance) C4'-P energy: -16.180
bonds (distance) P-C4' energy: -12.940
flat angles C4'-P-C4' energy: -16.286
flat angles P-C4'-P energy: -11.910
tors. eta vs tors. theta energy: -3.248
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 486
Temperature: 0.900000
Total energy: -289.370981 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.370981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.370981 (E_RNA)
where:
Base-Base interactions energy: -200.079
where: short stacking energy: -70.047
Base-Backbone interact. energy: -0.188
local terms energy: -89.104445
where:
bonds (distance) C4'-P energy: -17.414
bonds (distance) P-C4' energy: -15.637
flat angles C4'-P-C4' energy: -19.553
flat angles P-C4'-P energy: -15.273
tors. eta vs tors. theta energy: -21.228
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: 7
=====================================
Write number: 486
Temperature: 0.950000
Total energy: -279.486805 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.486805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.486805 (E_RNA)
where:
Base-Base interactions energy: -185.350
where: short stacking energy: -81.424
Base-Backbone interact. energy: -0.083
local terms energy: -94.054202
where:
bonds (distance) C4'-P energy: -17.563
bonds (distance) P-C4' energy: -20.172
flat angles C4'-P-C4' energy: -16.417
flat angles P-C4'-P energy: -16.948
tors. eta vs tors. theta energy: -22.955
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: 1
=====================================
Write number: 486
Temperature: 1.000000
Total energy: -276.542446 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.542446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.542446 (E_RNA)
where:
Base-Base interactions energy: -188.136
where: short stacking energy: -72.666
Base-Backbone interact. energy: -1.528
local terms energy: -86.879039
where:
bonds (distance) C4'-P energy: -12.784
bonds (distance) P-C4' energy: -18.766
flat angles C4'-P-C4' energy: -20.398
flat angles P-C4'-P energy: -11.775
tors. eta vs tors. theta energy: -23.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 4
=====================================
Write number: 486
Temperature: 1.050000
Total energy: -283.714627 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.714627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.714627 (E_RNA)
where:
Base-Base interactions energy: -196.083
where: short stacking energy: -76.038
Base-Backbone interact. energy: -0.700
local terms energy: -86.931579
where:
bonds (distance) C4'-P energy: -18.103
bonds (distance) P-C4' energy: -17.824
flat angles C4'-P-C4' energy: -13.531
flat angles P-C4'-P energy: -14.882
tors. eta vs tors. theta energy: -22.591
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 486
Temperature: 1.100000
Total energy: -266.585811 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.585811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.585811 (E_RNA)
where:
Base-Base interactions energy: -188.810
where: short stacking energy: -76.658
Base-Backbone interact. energy: 0.165
local terms energy: -77.941060
where:
bonds (distance) C4'-P energy: -15.192
bonds (distance) P-C4' energy: -17.843
flat angles C4'-P-C4' energy: -13.378
flat angles P-C4'-P energy: -8.064
tors. eta vs tors. theta energy: -23.464
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: 10
=====================================
Write number: 486
Temperature: 1.150000
Total energy: -239.461827 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -239.461827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -239.461827 (E_RNA)
where:
Base-Base interactions energy: -166.399
where: short stacking energy: -71.729
Base-Backbone interact. energy: -0.056
local terms energy: -73.007139
where:
bonds (distance) C4'-P energy: -11.328
bonds (distance) P-C4' energy: -17.635
flat angles C4'-P-C4' energy: -14.673
flat angles P-C4'-P energy: -11.719
tors. eta vs tors. theta energy: -17.652
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 5
=====================================
Write number: 486
Temperature: 1.200000
Total energy: -261.783647 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.783647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.783647 (E_RNA)
where:
Base-Base interactions energy: -189.212
where: short stacking energy: -67.849
Base-Backbone interact. energy: -0.599
local terms energy: -71.972519
where:
bonds (distance) C4'-P energy: -14.267
bonds (distance) P-C4' energy: -10.587
flat angles C4'-P-C4' energy: -15.533
flat angles P-C4'-P energy: -12.042
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: 8, replica: 8
=====================================
Write number: 486
Temperature: 1.250000
Total energy: -111.027584 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -111.027584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -111.027584 (E_RNA)
where:
Base-Base interactions energy: -44.109
where: short stacking energy: -40.155
Base-Backbone interact. energy: -0.246
local terms energy: -66.672436
where:
bonds (distance) C4'-P energy: -13.613
bonds (distance) P-C4' energy: -18.507
flat angles C4'-P-C4' energy: -18.412
flat angles P-C4'-P energy: -13.094
tors. eta vs tors. theta energy: -3.047
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 486
Temperature: 1.300000
Total energy: -109.552183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -109.552183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -109.552183 (E_RNA)
where:
Base-Base interactions energy: -43.916
where: short stacking energy: -33.058
Base-Backbone interact. energy: -0.369
local terms energy: -65.266718
where:
bonds (distance) C4'-P energy: -16.859
bonds (distance) P-C4' energy: -16.806
flat angles C4'-P-C4' energy: -8.739
flat angles P-C4'-P energy: -10.424
tors. eta vs tors. theta energy: -12.438
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: 2
=====================================
Write number: 486
Temperature: 1.350000
Total energy: -158.331885 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -158.331885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -158.331885 (E_RNA)
where:
Base-Base interactions energy: -102.953
where: short stacking energy: -45.107
Base-Backbone interact. energy: -1.022
local terms energy: -54.356859
where:
bonds (distance) C4'-P energy: -15.856
bonds (distance) P-C4' energy: -8.947
flat angles C4'-P-C4' energy: -5.823
flat angles P-C4'-P energy: -9.985
tors. eta vs tors. theta energy: -13.746
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 6
=====================================
Write number: 487
Temperature: 0.900000
Total energy: -288.482821 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.482821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.482821 (E_RNA)
where:
Base-Base interactions energy: -201.791
where: short stacking energy: -75.011
Base-Backbone interact. energy: -0.146
local terms energy: -86.546017
where:
bonds (distance) C4'-P energy: -14.061
bonds (distance) P-C4' energy: -19.837
flat angles C4'-P-C4' energy: -18.514
flat angles P-C4'-P energy: -12.629
tors. eta vs tors. theta energy: -21.506
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 487
Temperature: 0.950000
Total energy: -282.725663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.725663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.725663 (E_RNA)
where:
Base-Base interactions energy: -187.812
where: short stacking energy: -76.844
Base-Backbone interact. energy: -0.658
local terms energy: -94.255022
where:
bonds (distance) C4'-P energy: -15.439
bonds (distance) P-C4' energy: -18.949
flat angles C4'-P-C4' energy: -18.374
flat angles P-C4'-P energy: -14.994
tors. eta vs tors. theta energy: -26.498
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 1
=====================================
Write number: 487
Temperature: 1.000000
Total energy: -280.100680 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.100680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.100680 (E_RNA)
where:
Base-Base interactions energy: -194.651
where: short stacking energy: -82.005
Base-Backbone interact. energy: -0.009
local terms energy: -85.440041
where:
bonds (distance) C4'-P energy: -14.741
bonds (distance) P-C4' energy: -18.298
flat angles C4'-P-C4' energy: -17.901
flat angles P-C4'-P energy: -12.440
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: 4, replica: 3
=====================================
Write number: 487
Temperature: 1.050000
Total energy: -273.196996 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -273.196996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -273.196996 (E_RNA)
where:
Base-Base interactions energy: -180.441
where: short stacking energy: -76.337
Base-Backbone interact. energy: -0.282
local terms energy: -92.474721
where:
bonds (distance) C4'-P energy: -15.954
bonds (distance) P-C4' energy: -20.672
flat angles C4'-P-C4' energy: -20.537
flat angles P-C4'-P energy: -10.590
tors. eta vs tors. theta energy: -24.721
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 4
=====================================
Write number: 487
Temperature: 1.100000
Total energy: -261.417036 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.417036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.417036 (E_RNA)
where:
Base-Base interactions energy: -181.630
where: short stacking energy: -76.399
Base-Backbone interact. energy: -0.030
local terms energy: -79.757096
where:
bonds (distance) C4'-P energy: -13.858
bonds (distance) P-C4' energy: -16.373
flat angles C4'-P-C4' energy: -16.325
flat angles P-C4'-P energy: -13.194
tors. eta vs tors. theta energy: -20.007
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 5
=====================================
Write number: 487
Temperature: 1.150000
Total energy: -262.074273 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -262.074273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -262.074273 (E_RNA)
where:
Base-Base interactions energy: -182.334
where: short stacking energy: -68.884
Base-Backbone interact. energy: -0.002
local terms energy: -79.738267
where:
bonds (distance) C4'-P energy: -16.214
bonds (distance) P-C4' energy: -15.686
flat angles C4'-P-C4' energy: -15.859
flat angles P-C4'-P energy: -13.812
tors. eta vs tors. theta energy: -18.166
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 487
Temperature: 1.200000
Total energy: -247.901838 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -247.901838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -247.901838 (E_RNA)
where:
Base-Base interactions energy: -173.004
where: short stacking energy: -74.272
Base-Backbone interact. energy: -0.009
local terms energy: -74.888320
where:
bonds (distance) C4'-P energy: -11.352
bonds (distance) P-C4' energy: -16.695
flat angles C4'-P-C4' energy: -14.180
flat angles P-C4'-P energy: -12.751
tors. eta vs tors. theta energy: -19.910
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: 8, replica: 9
=====================================
Write number: 487
Temperature: 1.250000
Total energy: -99.063596 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -99.063596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -99.063596 (E_RNA)
where:
Base-Base interactions energy: -47.892
where: short stacking energy: -47.457
Base-Backbone interact. energy: -0.122
local terms energy: -51.048839
where:
bonds (distance) C4'-P energy: -11.287
bonds (distance) P-C4' energy: -17.566
flat angles C4'-P-C4' energy: -12.533
flat angles P-C4'-P energy: -6.774
tors. eta vs tors. theta energy: -2.890
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 487
Temperature: 1.300000
Total energy: -91.712426 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -91.712426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -91.712426 (E_RNA)
where:
Base-Base interactions energy: -34.394
where: short stacking energy: -21.746
Base-Backbone interact. energy: -0.238
local terms energy: -57.080429
where:
bonds (distance) C4'-P energy: -12.189
bonds (distance) P-C4' energy: -18.359
flat angles C4'-P-C4' energy: -13.289
flat angles P-C4'-P energy: -8.176
tors. eta vs tors. theta energy: -5.068
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 2
=====================================
Write number: 487
Temperature: 1.350000
Total energy: -133.534591 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -133.534591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -133.534591 (E_RNA)
where:
Base-Base interactions energy: -76.677
where: short stacking energy: -30.918
Base-Backbone interact. energy: -1.473
local terms energy: -55.384885
where:
bonds (distance) C4'-P energy: -15.882
bonds (distance) P-C4' energy: -12.501
flat angles C4'-P-C4' energy: -17.069
flat angles P-C4'-P energy: -8.396
tors. eta vs tors. theta energy: -1.538
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 488
Temperature: 0.900000
Total energy: -285.356537 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.356537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.356537 (E_RNA)
where:
Base-Base interactions energy: -193.070
where: short stacking energy: -76.167
Base-Backbone interact. energy: -0.964
local terms energy: -91.322756
where:
bonds (distance) C4'-P energy: -15.847
bonds (distance) P-C4' energy: -19.450
flat angles C4'-P-C4' energy: -16.132
flat angles P-C4'-P energy: -14.202
tors. eta vs tors. theta energy: -25.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 488
Temperature: 0.950000
Total energy: -275.855735 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.855735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.855735 (E_RNA)
where:
Base-Base interactions energy: -188.079
where: short stacking energy: -73.289
Base-Backbone interact. energy: -0.148
local terms energy: -87.628440
where:
bonds (distance) C4'-P energy: -19.678
bonds (distance) P-C4' energy: -18.460
flat angles C4'-P-C4' energy: -16.428
flat angles P-C4'-P energy: -13.639
tors. eta vs tors. theta energy: -19.423
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: 3
=====================================
Write number: 488
Temperature: 1.000000
Total energy: -278.529369 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.529369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.529369 (E_RNA)
where:
Base-Base interactions energy: -191.603
where: short stacking energy: -78.796
Base-Backbone interact. energy: -0.295
local terms energy: -86.631618
where:
bonds (distance) C4'-P energy: -17.578
bonds (distance) P-C4' energy: -14.866
flat angles C4'-P-C4' energy: -18.211
flat angles P-C4'-P energy: -11.326
tors. eta vs tors. theta energy: -24.651
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 1
=====================================
Write number: 488
Temperature: 1.050000
Total energy: -270.804950 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.804950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.804950 (E_RNA)
where:
Base-Base interactions energy: -187.588
where: short stacking energy: -78.085
Base-Backbone interact. energy: -1.036
local terms energy: -82.180704
where:
bonds (distance) C4'-P energy: -16.771
bonds (distance) P-C4' energy: -16.502
flat angles C4'-P-C4' energy: -16.169
flat angles P-C4'-P energy: -9.254
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: 5, replica: 5
=====================================
Write number: 488
Temperature: 1.100000
Total energy: -272.000612 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.000612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.000612 (E_RNA)
where:
Base-Base interactions energy: -194.619
where: short stacking energy: -72.066
Base-Backbone interact. energy: -0.063
local terms energy: -77.318049
where:
bonds (distance) C4'-P energy: -13.373
bonds (distance) P-C4' energy: -12.838
flat angles C4'-P-C4' energy: -17.915
flat angles P-C4'-P energy: -10.103
tors. eta vs tors. theta energy: -23.088
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 488
Temperature: 1.150000
Total energy: -264.437084 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -264.437084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -264.437084 (E_RNA)
where:
Base-Base interactions energy: -183.601
where: short stacking energy: -67.173
Base-Backbone interact. energy: -1.459
local terms energy: -79.377724
where:
bonds (distance) C4'-P energy: -15.956
bonds (distance) P-C4' energy: -17.886
flat angles C4'-P-C4' energy: -13.220
flat angles P-C4'-P energy: -12.601
tors. eta vs tors. theta energy: -19.715
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 10
=====================================
Write number: 488
Temperature: 1.200000
Total energy: -242.229339 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -242.229339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -242.229339 (E_RNA)
where:
Base-Base interactions energy: -163.880
where: short stacking energy: -70.902
Base-Backbone interact. energy: 0.163
local terms energy: -78.512771
where:
bonds (distance) C4'-P energy: -16.396
bonds (distance) P-C4' energy: -16.899
flat angles C4'-P-C4' energy: -18.155
flat angles P-C4'-P energy: -7.770
tors. eta vs tors. theta energy: -19.293
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 9
=====================================
Write number: 488
Temperature: 1.250000
Total energy: -105.095408 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -105.095408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -105.095408 (E_RNA)
where:
Base-Base interactions energy: -53.911
where: short stacking energy: -36.392
Base-Backbone interact. energy: -0.234
local terms energy: -50.950066
where:
bonds (distance) C4'-P energy: -16.474
bonds (distance) P-C4' energy: -13.182
flat angles C4'-P-C4' energy: -14.222
flat angles P-C4'-P energy: -4.645
tors. eta vs tors. theta energy: -2.428
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 488
Temperature: 1.300000
Total energy: -139.712546 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -139.712546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -139.712546 (E_RNA)
where:
Base-Base interactions energy: -80.206
where: short stacking energy: -36.478
Base-Backbone interact. energy: 0.499
local terms energy: -60.005268
where:
bonds (distance) C4'-P energy: -16.738
bonds (distance) P-C4' energy: -18.456
flat angles C4'-P-C4' energy: -13.686
flat angles P-C4'-P energy: -6.462
tors. eta vs tors. theta energy: -4.664
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 488
Temperature: 1.350000
Total energy: -84.344499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -84.344499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -84.344499 (E_RNA)
where:
Base-Base interactions energy: -38.713
where: short stacking energy: -32.925
Base-Backbone interact. energy: -0.218
local terms energy: -45.413729
where:
bonds (distance) C4'-P energy: -11.018
bonds (distance) P-C4' energy: -7.041
flat angles C4'-P-C4' energy: -12.028
flat angles P-C4'-P energy: -8.674
tors. eta vs tors. theta energy: -6.653
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 489
Temperature: 0.900000
Total energy: -289.966421 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.966421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.966421 (E_RNA)
where:
Base-Base interactions energy: -199.407
where: short stacking energy: -83.656
Base-Backbone interact. energy: -0.668
local terms energy: -89.891540
where:
bonds (distance) C4'-P energy: -16.060
bonds (distance) P-C4' energy: -17.924
flat angles C4'-P-C4' energy: -20.488
flat angles P-C4'-P energy: -8.990
tors. eta vs tors. theta energy: -26.430
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: 6
=====================================
Write number: 489
Temperature: 0.950000
Total energy: -279.486365 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.486365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.486365 (E_RNA)
where:
Base-Base interactions energy: -196.529
where: short stacking energy: -82.057
Base-Backbone interact. energy: -0.003
local terms energy: -82.954559
where:
bonds (distance) C4'-P energy: -18.490
bonds (distance) P-C4' energy: -9.769
flat angles C4'-P-C4' energy: -17.075
flat angles P-C4'-P energy: -11.191
tors. eta vs tors. theta energy: -26.429
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 3
=====================================
Write number: 489
Temperature: 1.000000
Total energy: -276.623731 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.623731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.623731 (E_RNA)
where:
Base-Base interactions energy: -194.579
where: short stacking energy: -78.511
Base-Backbone interact. energy: -0.733
local terms energy: -81.312032
where:
bonds (distance) C4'-P energy: -18.539
bonds (distance) P-C4' energy: -12.242
flat angles C4'-P-C4' energy: -16.535
flat angles P-C4'-P energy: -10.171
tors. eta vs tors. theta energy: -23.826
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: 5
=====================================
Write number: 489
Temperature: 1.050000
Total energy: -271.251536 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.251536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.251536 (E_RNA)
where:
Base-Base interactions energy: -180.061
where: short stacking energy: -74.151
Base-Backbone interact. energy: -0.506
local terms energy: -90.684118
where:
bonds (distance) C4'-P energy: -14.491
bonds (distance) P-C4' energy: -19.361
flat angles C4'-P-C4' energy: -17.368
flat angles P-C4'-P energy: -15.488
tors. eta vs tors. theta energy: -23.975
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 1
=====================================
Write number: 489
Temperature: 1.100000
Total energy: -275.513082 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.513082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.513082 (E_RNA)
where:
Base-Base interactions energy: -184.564
where: short stacking energy: -71.060
Base-Backbone interact. energy: -0.001
local terms energy: -90.947986
where:
bonds (distance) C4'-P energy: -16.771
bonds (distance) P-C4' energy: -15.068
flat angles C4'-P-C4' energy: -18.414
flat angles P-C4'-P energy: -13.619
tors. eta vs tors. theta energy: -27.076
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 10
=====================================
Write number: 489
Temperature: 1.150000
Total energy: -265.415636 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.415636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.415636 (E_RNA)
where:
Base-Base interactions energy: -177.414
where: short stacking energy: -81.908
Base-Backbone interact. energy: -0.347
local terms energy: -87.654336
where:
bonds (distance) C4'-P energy: -12.872
bonds (distance) P-C4' energy: -14.744
flat angles C4'-P-C4' energy: -17.865
flat angles P-C4'-P energy: -13.469
tors. eta vs tors. theta energy: -28.704
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 489
Temperature: 1.200000
Total energy: -254.519190 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -254.519190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -254.519190 (E_RNA)
where:
Base-Base interactions energy: -168.293
where: short stacking energy: -68.112
Base-Backbone interact. energy: -1.100
local terms energy: -85.126071
where:
bonds (distance) C4'-P energy: -15.935
bonds (distance) P-C4' energy: -15.941
flat angles C4'-P-C4' energy: -19.712
flat angles P-C4'-P energy: -13.308
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: 8, replica: 2
=====================================
Write number: 489
Temperature: 1.250000
Total energy: -112.076795 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -112.076795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -112.076795 (E_RNA)
where:
Base-Base interactions energy: -45.480
where: short stacking energy: -33.809
Base-Backbone interact. energy: -0.268
local terms energy: -66.328780
where:
bonds (distance) C4'-P energy: -13.582
bonds (distance) P-C4' energy: -17.716
flat angles C4'-P-C4' energy: -19.436
flat angles P-C4'-P energy: -13.691
tors. eta vs tors. theta energy: -1.904
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 489
Temperature: 1.300000
Total energy: -90.153954 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -90.153954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -90.153954 (E_RNA)
where:
Base-Base interactions energy: -36.560
where: short stacking energy: -29.554
Base-Backbone interact. energy: -0.269
local terms energy: -53.325806
where:
bonds (distance) C4'-P energy: -8.087
bonds (distance) P-C4' energy: -17.408
flat angles C4'-P-C4' energy: -17.100
flat angles P-C4'-P energy: -10.454
tors. eta vs tors. theta energy: -0.278
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 489
Temperature: 1.350000
Total energy: -86.846398 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.846398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.846398 (E_RNA)
where:
Base-Base interactions energy: -33.223
where: short stacking energy: -30.199
Base-Backbone interact. energy: -0.338
local terms energy: -53.285624
where:
bonds (distance) C4'-P energy: -16.239
bonds (distance) P-C4' energy: -14.036
flat angles C4'-P-C4' energy: -11.279
flat angles P-C4'-P energy: -7.868
tors. eta vs tors. theta energy: -3.864
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 1, replica: 7
=====================================
Write number: 490
Temperature: 0.900000
Total energy: -289.802318 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.802318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.802318 (E_RNA)
where:
Base-Base interactions energy: -195.148
where: short stacking energy: -83.056
Base-Backbone interact. energy: -0.643
local terms energy: -94.011126
where:
bonds (distance) C4'-P energy: -19.348
bonds (distance) P-C4' energy: -17.657
flat angles C4'-P-C4' energy: -21.982
flat angles P-C4'-P energy: -10.567
tors. eta vs tors. theta energy: -24.457
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 490
Temperature: 0.950000
Total energy: -286.723233 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -286.723233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -286.723233 (E_RNA)
where:
Base-Base interactions energy: -195.028
where: short stacking energy: -73.218
Base-Backbone interact. energy: -0.635
local terms energy: -91.059884
where:
bonds (distance) C4'-P energy: -15.088
bonds (distance) P-C4' energy: -15.828
flat angles C4'-P-C4' energy: -20.859
flat angles P-C4'-P energy: -15.984
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: 3, replica: 5
=====================================
Write number: 490
Temperature: 1.000000
Total energy: -282.998894 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.998894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.998894 (E_RNA)
where:
Base-Base interactions energy: -192.834
where: short stacking energy: -80.465
Base-Backbone interact. energy: -1.169
local terms energy: -88.995674
where:
bonds (distance) C4'-P energy: -17.593
bonds (distance) P-C4' energy: -17.735
flat angles C4'-P-C4' energy: -15.297
flat angles P-C4'-P energy: -14.088
tors. eta vs tors. theta energy: -24.283
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 3
=====================================
Write number: 490
Temperature: 1.050000
Total energy: -270.577185 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.577185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.577185 (E_RNA)
where:
Base-Base interactions energy: -185.789
where: short stacking energy: -64.184
Base-Backbone interact. energy: -0.007
local terms energy: -84.781135
where:
bonds (distance) C4'-P energy: -17.745
bonds (distance) P-C4' energy: -15.688
flat angles C4'-P-C4' energy: -14.902
flat angles P-C4'-P energy: -10.278
tors. eta vs tors. theta energy: -26.168
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 490
Temperature: 1.100000
Total energy: -265.661322 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.661322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.661322 (E_RNA)
where:
Base-Base interactions energy: -184.017
where: short stacking energy: -71.546
Base-Backbone interact. energy: -0.484
local terms energy: -81.160262
where:
bonds (distance) C4'-P energy: -14.773
bonds (distance) P-C4' energy: -15.514
flat angles C4'-P-C4' energy: -16.371
flat angles P-C4'-P energy: -10.397
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: 6, replica: 1
=====================================
Write number: 490
Temperature: 1.150000
Total energy: -265.294349 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -265.294349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -265.294349 (E_RNA)
where:
Base-Base interactions energy: -184.996
where: short stacking energy: -67.534
Base-Backbone interact. energy: -0.101
local terms energy: -80.197597
where:
bonds (distance) C4'-P energy: -15.344
bonds (distance) P-C4' energy: -18.947
flat angles C4'-P-C4' energy: -11.646
flat angles P-C4'-P energy: -11.383
tors. eta vs tors. theta energy: -22.878
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 490
Temperature: 1.200000
Total energy: -245.564377 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -245.564377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -245.564377 (E_RNA)
where:
Base-Base interactions energy: -179.691
where: short stacking energy: -74.703
Base-Backbone interact. energy: -0.244
local terms energy: -65.628917
where:
bonds (distance) C4'-P energy: -8.349
bonds (distance) P-C4' energy: -9.537
flat angles C4'-P-C4' energy: -16.956
flat angles P-C4'-P energy: -11.036
tors. eta vs tors. theta energy: -19.751
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 490
Temperature: 1.250000
Total energy: -93.123635 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.123635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.123635 (E_RNA)
where:
Base-Base interactions energy: -31.763
where: short stacking energy: -31.763
Base-Backbone interact. energy: -0.169
local terms energy: -61.191843
where:
bonds (distance) C4'-P energy: -17.977
bonds (distance) P-C4' energy: -14.794
flat angles C4'-P-C4' energy: -13.926
flat angles P-C4'-P energy: -8.347
tors. eta vs tors. theta energy: -6.149
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 9
=====================================
Write number: 490
Temperature: 1.300000
Total energy: -93.376373 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -93.376373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -93.376373 (E_RNA)
where:
Base-Base interactions energy: -35.434
where: short stacking energy: -33.728
Base-Backbone interact. energy: 0.763
local terms energy: -58.705141
where:
bonds (distance) C4'-P energy: -14.939
bonds (distance) P-C4' energy: -19.629
flat angles C4'-P-C4' energy: -19.126
flat angles P-C4'-P energy: -4.766
tors. eta vs tors. theta energy: -0.244
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 490
Temperature: 1.350000
Total energy: -86.841676 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -86.841676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -86.841676 (E_RNA)
where:
Base-Base interactions energy: -27.824
where: short stacking energy: -22.275
Base-Backbone interact. energy: -0.474
local terms energy: -58.543480
where:
bonds (distance) C4'-P energy: -10.880
bonds (distance) P-C4' energy: -17.060
flat angles C4'-P-C4' energy: -14.963
flat angles P-C4'-P energy: -12.807
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: 7
=====================================
Write number: 491
Temperature: 0.900000
Total energy: -285.006972 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.006972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.006972 (E_RNA)
where:
Base-Base interactions energy: -194.744
where: short stacking energy: -78.248
Base-Backbone interact. energy: -1.177
local terms energy: -89.085748
where:
bonds (distance) C4'-P energy: -18.143
bonds (distance) P-C4' energy: -14.861
flat angles C4'-P-C4' energy: -19.668
flat angles P-C4'-P energy: -11.593
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: 2, replica: 5
=====================================
Write number: 491
Temperature: 0.950000
Total energy: -284.412609 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.412609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.412609 (E_RNA)
where:
Base-Base interactions energy: -192.113
where: short stacking energy: -87.961
Base-Backbone interact. energy: -0.027
local terms energy: -92.272681
where:
bonds (distance) C4'-P energy: -19.802
bonds (distance) P-C4' energy: -20.734
flat angles C4'-P-C4' energy: -18.323
flat angles P-C4'-P energy: -9.206
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: 3, replica: 6
=====================================
Write number: 491
Temperature: 1.000000
Total energy: -280.032471 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.032471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.032471 (E_RNA)
where:
Base-Base interactions energy: -194.850
where: short stacking energy: -76.391
Base-Backbone interact. energy: -0.003
local terms energy: -85.179847
where:
bonds (distance) C4'-P energy: -13.106
bonds (distance) P-C4' energy: -17.329
flat angles C4'-P-C4' energy: -19.691
flat angles P-C4'-P energy: -10.968
tors. eta vs tors. theta energy: -24.086
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 4, replica: 10
=====================================
Write number: 491
Temperature: 1.050000
Total energy: -283.730482 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -283.730482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -283.730482 (E_RNA)
where:
Base-Base interactions energy: -188.885
where: short stacking energy: -86.146
Base-Backbone interact. energy: -0.001
local terms energy: -94.844801
where:
bonds (distance) C4'-P energy: -15.564
bonds (distance) P-C4' energy: -20.641
flat angles C4'-P-C4' energy: -18.872
flat angles P-C4'-P energy: -11.308
tors. eta vs tors. theta energy: -28.460
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 491
Temperature: 1.100000
Total energy: -270.472183 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -270.472183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -270.472183 (E_RNA)
where:
Base-Base interactions energy: -181.339
where: short stacking energy: -76.911
Base-Backbone interact. energy: -0.012
local terms energy: -89.121381
where:
bonds (distance) C4'-P energy: -15.943
bonds (distance) P-C4' energy: -20.063
flat angles C4'-P-C4' energy: -14.704
flat angles P-C4'-P energy: -15.917
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: 4
=====================================
Write number: 491
Temperature: 1.150000
Total energy: -261.943800 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -261.943800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -261.943800 (E_RNA)
where:
Base-Base interactions energy: -186.846
where: short stacking energy: -81.172
Base-Backbone interact. energy: -0.104
local terms energy: -74.993784
where:
bonds (distance) C4'-P energy: -14.283
bonds (distance) P-C4' energy: -11.616
flat angles C4'-P-C4' energy: -17.086
flat angles P-C4'-P energy: -6.452
tors. eta vs tors. theta energy: -25.556
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: 1
=====================================
Write number: 491
Temperature: 1.200000
Total energy: -253.598271 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -253.598271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -253.598271 (E_RNA)
where:
Base-Base interactions energy: -177.980
where: short stacking energy: -65.001
Base-Backbone interact. energy: -0.402
local terms energy: -75.216905
where:
bonds (distance) C4'-P energy: -13.315
bonds (distance) P-C4' energy: -13.922
flat angles C4'-P-C4' energy: -18.964
flat angles P-C4'-P energy: -8.503
tors. eta vs tors. theta energy: -20.513
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 491
Temperature: 1.250000
Total energy: -101.015663 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -101.015663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -101.015663 (E_RNA)
where:
Base-Base interactions energy: -40.445
where: short stacking energy: -30.083
Base-Backbone interact. energy: -0.291
local terms energy: -60.279736
where:
bonds (distance) C4'-P energy: -13.451
bonds (distance) P-C4' energy: -18.796
flat angles C4'-P-C4' energy: -16.566
flat angles P-C4'-P energy: -10.644
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: 9, replica: 9
=====================================
Write number: 491
Temperature: 1.300000
Total energy: -124.760192 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -124.760192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -124.760192 (E_RNA)
where:
Base-Base interactions energy: -59.190
where: short stacking energy: -32.641
Base-Backbone interact. energy: -0.338
local terms energy: -65.232438
where:
bonds (distance) C4'-P energy: -18.668
bonds (distance) P-C4' energy: -19.854
flat angles C4'-P-C4' energy: -12.143
flat angles P-C4'-P energy: -12.659
tors. eta vs tors. theta energy: -1.908
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 8
=====================================
Write number: 491
Temperature: 1.350000
Total energy: -87.980024 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.980024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.980024 (E_RNA)
where:
Base-Base interactions energy: -35.772
where: short stacking energy: -25.781
Base-Backbone interact. energy: -0.374
local terms energy: -51.834202
where:
bonds (distance) C4'-P energy: -13.514
bonds (distance) P-C4' energy: -20.204
flat angles C4'-P-C4' energy: -12.627
flat angles P-C4'-P energy: -11.529
tors. eta vs tors. theta energy: 6.040
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)
out arg RESULTS//1/177-VP2-O-3ba7a3b9_01
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 492
Temperature: 0.900000
Total energy: -288.880402 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -288.880402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -288.880402 (E_RNA)
where:
Base-Base interactions energy: -198.161
where: short stacking energy: -80.645
Base-Backbone interact. energy: 0.160
local terms energy: -90.879678
where:
bonds (distance) C4'-P energy: -15.894
bonds (distance) P-C4' energy: -15.828
flat angles C4'-P-C4' energy: -19.460
flat angles P-C4'-P energy: -15.008
tors. eta vs tors. theta energy: -24.691
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 492
Temperature: 0.950000
Total energy: -280.951863 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.951863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.951863 (E_RNA)
where:
Base-Base interactions energy: -194.968
where: short stacking energy: -77.127
Base-Backbone interact. energy: -0.278
local terms energy: -85.706429
where:
bonds (distance) C4'-P energy: -13.778
bonds (distance) P-C4' energy: -19.527
flat angles C4'-P-C4' energy: -18.605
flat angles P-C4'-P energy: -11.056
tors. eta vs tors. theta energy: -22.741
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 492
Temperature: 1.000000
Total energy: -282.628650 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.628650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.628650 (E_RNA)
where:
Base-Base interactions energy: -192.948
where: short stacking energy: -81.952
Base-Backbone interact. energy: -0.369
local terms energy: -89.311435
where:
bonds (distance) C4'-P energy: -19.118
bonds (distance) P-C4' energy: -16.875
flat angles C4'-P-C4' energy: -17.540
flat angles P-C4'-P energy: -9.364
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: 4, replica: 6
=====================================
Write number: 492
Temperature: 1.050000
Total energy: -271.890913 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -271.890913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -271.890913 (E_RNA)
where:
Base-Base interactions energy: -184.119
where: short stacking energy: -75.036
Base-Backbone interact. energy: -1.743
local terms energy: -86.029032
where:
bonds (distance) C4'-P energy: -19.615
bonds (distance) P-C4' energy: -17.961
flat angles C4'-P-C4' energy: -15.600
flat angles P-C4'-P energy: -13.303
tors. eta vs tors. theta energy: -19.549
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: 3
=====================================
Write number: 492
Temperature: 1.100000
Total energy: -274.016581 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.016581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.016581 (E_RNA)
where:
Base-Base interactions energy: -186.947
where: short stacking energy: -78.186
Base-Backbone interact. energy: -0.693
local terms energy: -86.376658
where:
bonds (distance) C4'-P energy: -16.366
bonds (distance) P-C4' energy: -9.406
flat angles C4'-P-C4' energy: -20.637
flat angles P-C4'-P energy: -12.701
tors. eta vs tors. theta energy: -27.267
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 4
=====================================
Write number: 492
Temperature: 1.150000
Total energy: -268.667695 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -268.667695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -268.667695 (E_RNA)
where:
Base-Base interactions energy: -181.777
where: short stacking energy: -78.400
Base-Backbone interact. energy: -0.555
local terms energy: -86.335727
where:
bonds (distance) C4'-P energy: -16.643
bonds (distance) P-C4' energy: -16.791
flat angles C4'-P-C4' energy: -16.531
flat angles P-C4'-P energy: -13.424
tors. eta vs tors. theta energy: -22.947
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 1
=====================================
Write number: 492
Temperature: 1.200000
Total energy: -255.199603 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -255.199603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -255.199603 (E_RNA)
where:
Base-Base interactions energy: -172.583
where: short stacking energy: -57.364
Base-Backbone interact. energy: -0.145
local terms energy: -82.471753
where:
bonds (distance) C4'-P energy: -17.835
bonds (distance) P-C4' energy: -17.815
flat angles C4'-P-C4' energy: -15.657
flat angles P-C4'-P energy: -13.732
tors. eta vs tors. theta energy: -17.433
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 2
=====================================
Write number: 492
Temperature: 1.250000
Total energy: -97.979604 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -97.979604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -97.979604 (E_RNA)
where:
Base-Base interactions energy: -44.439
where: short stacking energy: -22.433
Base-Backbone interact. energy: -0.985
local terms energy: -52.555522
where:
bonds (distance) C4'-P energy: -17.675
bonds (distance) P-C4' energy: -17.974
flat angles C4'-P-C4' energy: -6.792
flat angles P-C4'-P energy: -9.862
tors. eta vs tors. theta energy: -0.253
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 8
=====================================
Write number: 492
Temperature: 1.300000
Total energy: -87.230388 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.230388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.230388 (E_RNA)
where:
Base-Base interactions energy: -30.574
where: short stacking energy: -15.403
Base-Backbone interact. energy: -0.223
local terms energy: -56.433070
where:
bonds (distance) C4'-P energy: -16.627
bonds (distance) P-C4' energy: -19.868
flat angles C4'-P-C4' energy: -10.861
flat angles P-C4'-P energy: -11.285
tors. eta vs tors. theta energy: 2.208
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 492
Temperature: 1.350000
Total energy: -83.653625 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -83.653625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -83.653625 (E_RNA)
where:
Base-Base interactions energy: -19.604
where: short stacking energy: -18.980
Base-Backbone interact. energy: -0.103
local terms energy: -63.946207
where:
bonds (distance) C4'-P energy: -18.129
bonds (distance) P-C4' energy: -18.331
flat angles C4'-P-C4' energy: -11.830
flat angles P-C4'-P energy: -8.008
tors. eta vs tors. theta energy: -7.648
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 5
=====================================
Write number: 493
Temperature: 0.900000
Total energy: -284.054613 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -284.054613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -284.054613 (E_RNA)
where:
Base-Base interactions energy: -198.503
where: short stacking energy: -72.617
Base-Backbone interact. energy: -0.216
local terms energy: -85.335471
where:
bonds (distance) C4'-P energy: -15.522
bonds (distance) P-C4' energy: -16.406
flat angles C4'-P-C4' energy: -16.409
flat angles P-C4'-P energy: -10.519
tors. eta vs tors. theta energy: -26.479
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 7
=====================================
Write number: 493
Temperature: 0.950000
Total energy: -282.096501 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -282.096501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -282.096501 (E_RNA)
where:
Base-Base interactions energy: -190.080
where: short stacking energy: -81.531
Base-Backbone interact. energy: -0.023
local terms energy: -91.992929
where:
bonds (distance) C4'-P energy: -15.422
bonds (distance) P-C4' energy: -20.140
flat angles C4'-P-C4' energy: -20.703
flat angles P-C4'-P energy: -11.268
tors. eta vs tors. theta energy: -24.459
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 10
=====================================
Write number: 493
Temperature: 1.000000
Total energy: -279.174498 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -279.174498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -279.174498 (E_RNA)
where:
Base-Base interactions energy: -194.939
where: short stacking energy: -71.304
Base-Backbone interact. energy: 0.043
local terms energy: -84.278628
where:
bonds (distance) C4'-P energy: -17.472
bonds (distance) P-C4' energy: -16.555
flat angles C4'-P-C4' energy: -17.494
flat angles P-C4'-P energy: -13.609
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: 4, replica: 6
=====================================
Write number: 493
Temperature: 1.050000
Total energy: -274.127378 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.127378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.127378 (E_RNA)
where:
Base-Base interactions energy: -192.896
where: short stacking energy: -71.660
Base-Backbone interact. energy: -0.128
local terms energy: -81.103627
where:
bonds (distance) C4'-P energy: -16.300
bonds (distance) P-C4' energy: -17.453
flat angles C4'-P-C4' energy: -10.899
flat angles P-C4'-P energy: -15.192
tors. eta vs tors. theta energy: -21.260
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 3
=====================================
Write number: 493
Temperature: 1.100000
Total energy: -275.123055 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -275.123055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -275.123055 (E_RNA)
where:
Base-Base interactions energy: -179.917
where: short stacking energy: -79.712
Base-Backbone interact. energy: -0.819
local terms energy: -94.387032
where:
bonds (distance) C4'-P energy: -18.704
bonds (distance) P-C4' energy: -18.415
flat angles C4'-P-C4' energy: -18.517
flat angles P-C4'-P energy: -14.242
tors. eta vs tors. theta energy: -24.509
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 493
Temperature: 1.150000
Total energy: -251.301657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -251.301657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -251.301657 (E_RNA)
where:
Base-Base interactions energy: -170.594
where: short stacking energy: -69.248
Base-Backbone interact. energy: -0.257
local terms energy: -80.450305
where:
bonds (distance) C4'-P energy: -17.862
bonds (distance) P-C4' energy: -10.213
flat angles C4'-P-C4' energy: -16.040
flat angles P-C4'-P energy: -12.900
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: 7, replica: 4
=====================================
Write number: 493
Temperature: 1.200000
Total energy: -243.452054 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -243.452054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -243.452054 (E_RNA)
where:
Base-Base interactions energy: -164.631
where: short stacking energy: -67.097
Base-Backbone interact. energy: -0.013
local terms energy: -78.807748
where:
bonds (distance) C4'-P energy: -11.817
bonds (distance) P-C4' energy: -17.491
flat angles C4'-P-C4' energy: -16.003
flat angles P-C4'-P energy: -11.389
tors. eta vs tors. theta energy: -22.108
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 493
Temperature: 1.250000
Total energy: -92.867520 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.867520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.867520 (E_RNA)
where:
Base-Base interactions energy: -38.291
where: short stacking energy: -21.377
Base-Backbone interact. energy: 0.437
local terms energy: -55.013085
where:
bonds (distance) C4'-P energy: -14.816
bonds (distance) P-C4' energy: -17.443
flat angles C4'-P-C4' energy: -16.115
flat angles P-C4'-P energy: -5.483
tors. eta vs tors. theta energy: -1.156
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 493
Temperature: 1.300000
Total energy: -87.813010 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -87.813010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -87.813010 (E_RNA)
where:
Base-Base interactions energy: -31.942
where: short stacking energy: -29.433
Base-Backbone interact. energy: -0.288
local terms energy: -55.583541
where:
bonds (distance) C4'-P energy: -14.695
bonds (distance) P-C4' energy: -14.233
flat angles C4'-P-C4' energy: -15.819
flat angles P-C4'-P energy: -13.652
tors. eta vs tors. theta energy: 2.816
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: 9
=====================================
Write number: 493
Temperature: 1.350000
Total energy: -82.871814 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -82.871814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -82.871814 (E_RNA)
where:
Base-Base interactions energy: -33.519
where: short stacking energy: -30.186
Base-Backbone interact. energy: 2.431
local terms energy: -51.783601
where:
bonds (distance) C4'-P energy: -12.123
bonds (distance) P-C4' energy: -17.112
flat angles C4'-P-C4' energy: -14.610
flat angles P-C4'-P energy: -9.196
tors. eta vs tors. theta energy: 1.256
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)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 7
=====================================
Write number: 494
Temperature: 0.900000
Total energy: -289.982897 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -289.982897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -289.982897 (E_RNA)
where:
Base-Base interactions energy: -195.006
where: short stacking energy: -79.426
Base-Backbone interact. energy: -1.556
local terms energy: -93.420115
where:
bonds (distance) C4'-P energy: -20.162
bonds (distance) P-C4' energy: -13.373
flat angles C4'-P-C4' energy: -18.736
flat angles P-C4'-P energy: -14.173
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: 2, replica: 5
=====================================
Write number: 494
Temperature: 0.950000
Total energy: -281.733823 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -281.733823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -281.733823 (E_RNA)
where:
Base-Base interactions energy: -189.944
where: short stacking energy: -81.163
Base-Backbone interact. energy: -0.840
local terms energy: -90.949863
where:
bonds (distance) C4'-P energy: -18.953
bonds (distance) P-C4' energy: -18.421
flat angles C4'-P-C4' energy: -16.574
flat angles P-C4'-P energy: -12.822
tors. eta vs tors. theta energy: -24.179
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 3, replica: 6
=====================================
Write number: 494
Temperature: 1.000000
Total energy: -276.966570 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -276.966570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -276.966570 (E_RNA)
where:
Base-Base interactions energy: -188.871
where: short stacking energy: -68.383
Base-Backbone interact. energy: -0.239
local terms energy: -87.857079
where:
bonds (distance) C4'-P energy: -18.433
bonds (distance) P-C4' energy: -19.285
flat angles C4'-P-C4' energy: -15.854
flat angles P-C4'-P energy: -12.095
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: 4, replica: 10
=====================================
Write number: 494
Temperature: 1.050000
Total energy: -274.846657 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.846657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.846657 (E_RNA)
where:
Base-Base interactions energy: -189.558
where: short stacking energy: -75.392
Base-Backbone interact. energy: -0.690
local terms energy: -84.598827
where:
bonds (distance) C4'-P energy: -10.434
bonds (distance) P-C4' energy: -19.848
flat angles C4'-P-C4' energy: -17.059
flat angles P-C4'-P energy: -13.411
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: 5, replica: 3
=====================================
Write number: 494
Temperature: 1.100000
Total energy: -272.094331 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -272.094331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -272.094331 (E_RNA)
where:
Base-Base interactions energy: -188.268
where: short stacking energy: -71.557
Base-Backbone interact. energy: -0.058
local terms energy: -83.768914
where:
bonds (distance) C4'-P energy: -19.363
bonds (distance) P-C4' energy: -13.482
flat angles C4'-P-C4' energy: -17.162
flat angles P-C4'-P energy: -16.106
tors. eta vs tors. theta energy: -17.657
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 6, replica: 1
=====================================
Write number: 494
Temperature: 1.150000
Total energy: -266.312619 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -266.312619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -266.312619 (E_RNA)
where:
Base-Base interactions energy: -182.144
where: short stacking energy: -74.039
Base-Backbone interact. energy: -0.007
local terms energy: -84.162189
where:
bonds (distance) C4'-P energy: -18.576
bonds (distance) P-C4' energy: -14.551
flat angles C4'-P-C4' energy: -18.839
flat angles P-C4'-P energy: -5.550
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: 7, replica: 4
=====================================
Write number: 494
Temperature: 1.200000
Total energy: -210.609376 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -210.609376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -210.609376 (E_RNA)
where:
Base-Base interactions energy: -129.454
where: short stacking energy: -64.904
Base-Backbone interact. energy: -0.779
local terms energy: -80.376257
where:
bonds (distance) C4'-P energy: -16.154
bonds (distance) P-C4' energy: -15.651
flat angles C4'-P-C4' energy: -19.105
flat angles P-C4'-P energy: -10.145
tors. eta vs tors. theta energy: -19.321
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: 8
=====================================
Write number: 494
Temperature: 1.250000
Total energy: -96.434032 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -96.434032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -96.434032 (E_RNA)
where:
Base-Base interactions energy: -42.728
where: short stacking energy: -29.772
Base-Backbone interact. energy: -0.506
local terms energy: -53.199476
where:
bonds (distance) C4'-P energy: -15.856
bonds (distance) P-C4' energy: -17.716
flat angles C4'-P-C4' energy: -9.512
flat angles P-C4'-P energy: -6.586
tors. eta vs tors. theta energy: -3.530
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 494
Temperature: 1.300000
Total energy: -120.478335 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -120.478335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -120.478335 (E_RNA)
where:
Base-Base interactions energy: -72.060
where: short stacking energy: -30.581
Base-Backbone interact. energy: -0.206
local terms energy: -48.212570
where:
bonds (distance) C4'-P energy: -12.888
bonds (distance) P-C4' energy: -10.268
flat angles C4'-P-C4' energy: -12.163
flat angles P-C4'-P energy: -5.389
tors. eta vs tors. theta energy: -7.504
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 494
Temperature: 1.350000
Total energy: -92.874666 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -92.874666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -92.874666 (E_RNA)
where:
Base-Base interactions energy: -34.961
where: short stacking energy: -28.372
Base-Backbone interact. energy: -0.407
local terms energy: -57.506911
where:
bonds (distance) C4'-P energy: -16.613
bonds (distance) P-C4' energy: -14.061
flat angles C4'-P-C4' energy: -11.339
flat angles P-C4'-P energy: -14.917
tors. eta vs tors. theta energy: -0.577
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE
==================================
temp. level: 1, replica: 7
=====================================
Write number: 495
Temperature: 0.900000
Total energy: -278.402705 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -278.402705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -278.402705 (E_RNA)
where:
Base-Base interactions energy: -191.342
where: short stacking energy: -75.292
Base-Backbone interact. energy: -0.087
local terms energy: -86.973618
where:
bonds (distance) C4'-P energy: -17.347
bonds (distance) P-C4' energy: -19.329
flat angles C4'-P-C4' energy: -18.957
flat angles P-C4'-P energy: -9.991
tors. eta vs tors. theta energy: -21.349
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 2, replica: 6
=====================================
Write number: 495
Temperature: 0.950000
Total energy: -293.337139 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -293.337139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -293.337139 (E_RNA)
where:
Base-Base interactions energy: -200.303
where: short stacking energy: -77.925
Base-Backbone interact. energy: -0.101
local terms energy: -92.934010
where:
bonds (distance) C4'-P energy: -19.086
bonds (distance) P-C4' energy: -17.868
flat angles C4'-P-C4' energy: -17.092
flat angles P-C4'-P energy: -15.672
tors. eta vs tors. theta energy: -23.217
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: 3, replica: 5
=====================================
Write number: 495
Temperature: 1.000000
Total energy: -285.363171 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -285.363171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -285.363171 (E_RNA)
where:
Base-Base interactions energy: -198.236
where: short stacking energy: -87.302
Base-Backbone interact. energy: -0.001
local terms energy: -87.126423
where:
bonds (distance) C4'-P energy: -17.704
bonds (distance) P-C4' energy: -15.655
flat angles C4'-P-C4' energy: -19.035
flat angles P-C4'-P energy: -10.543
tors. eta vs tors. theta energy: -24.190
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: 3
=====================================
Write number: 495
Temperature: 1.050000
Total energy: -280.414785 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -280.414785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -280.414785 (E_RNA)
where:
Base-Base interactions energy: -190.548
where: short stacking energy: -76.298
Base-Backbone interact. energy: -0.208
local terms energy: -89.658526
where:
bonds (distance) C4'-P energy: -17.393
bonds (distance) P-C4' energy: -18.256
flat angles C4'-P-C4' energy: -19.554
flat angles P-C4'-P energy: -6.125
tors. eta vs tors. theta energy: -28.331
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 5, replica: 10
=====================================
Write number: 495
Temperature: 1.100000
Total energy: -267.782513 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -267.782513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -267.782513 (E_RNA)
where:
Base-Base interactions energy: -184.767
where: short stacking energy: -72.592
Base-Backbone interact. energy: -0.192
local terms energy: -82.823636
where:
bonds (distance) C4'-P energy: -13.199
bonds (distance) P-C4' energy: -17.141
flat angles C4'-P-C4' energy: -16.303
flat angles P-C4'-P energy: -12.156
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: 1
=====================================
Write number: 495
Temperature: 1.150000
Total energy: -274.175312 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -274.175312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -274.175312 (E_RNA)
where:
Base-Base interactions energy: -184.798
where: short stacking energy: -73.869
Base-Backbone interact. energy: -0.046
local terms energy: -89.331207
where:
bonds (distance) C4'-P energy: -17.133
bonds (distance) P-C4' energy: -18.060
flat angles C4'-P-C4' energy: -17.898
flat angles P-C4'-P energy: -10.861
tors. eta vs tors. theta energy: -25.379
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 7, replica: 4
=====================================
Write number: 495
Temperature: 1.200000
Total energy: -205.945444 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -205.945444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -205.945444 (E_RNA)
where:
Base-Base interactions energy: -132.639
where: short stacking energy: -58.934
Base-Backbone interact. energy: -1.724
local terms energy: -71.582309
where:
bonds (distance) C4'-P energy: -18.424
bonds (distance) P-C4' energy: -13.216
flat angles C4'-P-C4' energy: -12.529
flat angles P-C4'-P energy: -13.121
tors. eta vs tors. theta energy: -14.292
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 8, replica: 8
=====================================
Write number: 495
Temperature: 1.250000
Total energy: -102.539499 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -102.539499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -102.539499 (E_RNA)
where:
Base-Base interactions energy: -42.747
where: short stacking energy: -33.334
Base-Backbone interact. energy: -0.337
local terms energy: -59.454859
where:
bonds (distance) C4'-P energy: -14.926
bonds (distance) P-C4' energy: -15.686
flat angles C4'-P-C4' energy: -18.700
flat angles P-C4'-P energy: -9.218
tors. eta vs tors. theta energy: -0.926
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 9, replica: 2
=====================================
Write number: 495
Temperature: 1.300000
Total energy: -85.437274 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -85.437274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -85.437274 (E_RNA)
where:
Base-Base interactions energy: -32.363
where: short stacking energy: -20.761
Base-Backbone interact. energy: -0.223
local terms energy: -52.851459
where:
bonds (distance) C4'-P energy: -14.222
bonds (distance) P-C4' energy: -15.691
flat angles C4'-P-C4' energy: -12.298
flat angles P-C4'-P energy: -12.339
tors. eta vs tors. theta energy: 1.699
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
==================================
temp. level: 10, replica: 9
=====================================
Write number: 495
Temperature: 1.350000
Total energy: -94.231362 (ES_TOTAL = E_TOTAL + S_TOTAL)
where:
RNA energy: -94.231362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA)
where:
Molecular energy: -94.231362 (E_RNA)
where:
Base-Base interactions energy: -33.776
where: short stacking energy: -29.413
Base-Backbone interact. energy: -0.219
local terms energy: -60.237034
where:
bonds (distance) C4'-P energy: -10.318
bonds (distance) P-C4' energy: -16.284
flat angles C4'-P-C4' energy: -15.302
flat angles P-C4'-P energy: -10.726
tors. eta vs tors. theta energy: -7.607
Dist. restrs. and SS energy: 0.000 (S_DIST_RNA)
chem. prob. restrs. energy: 0.000 (S_CHEM_RNA)
Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA)
DONE
DONE
DONE
DONE
DONE
DONE
DONE
DONE